diff --git "a/finetuning_datasets/classification/bace/bace.csv" "b/finetuning_datasets/classification/bace/bace.csv"
new file mode 100644--- /dev/null
+++ "b/finetuning_datasets/classification/bace/bace.csv"
@@ -0,0 +1,1514 @@
+selfies,smiles,Class,standard_inchi_key,cid,Description,chembl_id,canonical_smiles,kg_compound_node_idx
+[O][C][C][C@@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][=C][Branch1][C][C][C],O1CC[C@@H](NC(=O)[C@@H](Cc2cc3cc(ccc3nc2N)-c2ccccc2C)C)CC1(C)C,1,QMSHBBGXSXAGOO-XMSQKQJNSA-N,,,CHEMBL1821728,,333164.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][C][C][C@][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C@@H1][NH2+1][C][C@H1][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1,1,LPZOLMFQGUDKQH-ZXWXCOCLSA-O,,,,CCCOC1C[NH2+]C(C(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(CCc2ccccc2)N2CCC(CC(C)C)(NC(C)=O)C2=O)C1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][=C][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C,1,MNGUVHPNHVMEDL-MFMCTBQISA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]Cc4cccc(OC)c4)cc13)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Branch2][Ring2][Ring1][C][C][=C][C][Branch1][P][O][C@H1][Branch1][Branch1][C][O][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Branch2],S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,UJZFSYZNJMWXJO-NJONLQHESA-O,,,,CCOCC(Oc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][=Branch1][Ring2][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch2][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C,1,MSHYGGHZTGSTOG-LMSSTIIKSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]Cc4cccc(C(F)(F)F)c4)cc13)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][C][C@@H1][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][#Branch1],S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,SVZBUJIOBQPGEC-QPEFVIBRSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)CC(Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch1][=Branch1][C][C][C][C][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],S(=O)(=O)(CCCCC)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)CC)Cc1cc(F)cc(F)c1,1,IOTPZWJUHSYLHJ-OJDZSJEKSA-O,,,,CCCCCS(=O)(=O)CC(NC(=O)c1cccnc1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cccc(CC)c1,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@@][Branch1][=Branch1][NH1+1][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][=Ring1][Branch2][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#C][C],Fc1c2c(ccc1)[C@@]([NH+]=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC,1,TUGLMYZSOPKJOA-PMERELPUSA-O,,,,CC#Cc1cncc(-c2cccc(C3(c4cc(C)c(=O)n(CC)c4)[NH+]=C(N)c4c(F)cccc43)c2)c1,
+[O][C][=C][Branch1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch2][Ring2][=C][NH2+1][C][C@@H1][Branch1][C][O][C@H1][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][C][C][=C][C][Branch1][Branch1][C][Ring2][Ring1][C][=C][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][C][C][C][Ring2][Ring2][=Branch1][C][C][C][Ring1][Ring2],O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)C=3C=CC(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2,1,LCSGKLXXIKDHLA-OIFRRMEBSA-O,,,,CCc1ccc2c(c1)C([NH2+]CC(O)C1Cc3cccc(c3)CCCCn3cc(ccc3=O)C(=O)N1)CC1(CCC1)O2,
+[O][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch1][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C1N(CCCC1)C(C)(C)[C@@H]1C[C@@H](CCC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1,1,MFPZDLDVZIAMTN-OKDNLZPVSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C(Cc2ccccc2)NC(=O)C2CCCC(C(C)(C)N3CCCCC3=O)C2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][NH2+1][C][C@H1][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]C[C@H](Oc2ccccc2)C1,1,YDCNYSQITCUGST-FEFKUCBWSA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(Oc3ccccc3)C[NH2+]2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][NH2+1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CCN(Cc2ccccc2)C1=O,1,XKXGRRZAMDHVGR-CPCREDONSA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2[NH2+]CCN(Cc3ccccc3)C2=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch2][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1,1,GPMRAYXRPZKTFK-URLMMPGGSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Branch1][N][Branch2][Branch1][=Branch2][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch2][C@H1][Branch1][C][O][C][NH2+1][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C,1,SMMANAWVXZZNER-DZMJNENTSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C)C(=O)NC2CCCCC2)cc(N(c2ccccc2)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C@H1][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][=Branch1],S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,FIUDDEQHPBHZBI-AEPNJDANSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1,JEEOUWBWJFSMIP-IOWSJCHKSA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][NH2+1][C][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]C[C@H](OCc2ccccc2)C1,1,GZHSLBYVXGDJDF-NXVJRICRSA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(OCc3ccccc3)C[NH2+]2)c1,
+[I][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1,1,FSQSHDXWJKXBPP-XZWHSSHBSA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(I)c2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][NH2+1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CN(Cc2ccccc2)C1=O,1,HZWNNIVRFLRAQW-CHQNGUEUSA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2[NH2+]CN(Cc3ccccc3)C2=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][P][N][C][C@@H1][Branch1][=Branch1][NH2+1][C][C][Ring1][=Branch1][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],S(=O)(=O)(N1C[C@@H]([NH2+]CC1)[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1)c1ccccc1,1,KDRUCCZCGHVXGH-QAXCHELISA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CN(S(=O)(=O)c3ccccc3)CC[NH2+]2)c1,
+[F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C@H1][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,FBJQDUYQPYABBR-CCDWMCETSA-O,,,,CC(=O)NC(Cc1ccc(F)cc1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][C][C][C@][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@H1][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1,1,SMPAHDBHYSCFQF-SXXDCNOLSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(OC)c2)C1=O,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][O][C][C][C@H1][Branch1][C][O][C][NH2+1][C@H1][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,IUSARDYWEPUTPN-OZBXUNDUSA-O,,,,COC(C)C(=O)NC(Cc1cccc(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch2][C][N][Branch1][C][C][C][=C][C][=Branch2][=Branch1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][=Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C,1,SQCCLROLILAOBD-MLLWAOEYSA-N,,,CHEMBL1076902,,215331.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][NH2+1][C][C][C@H1][Branch1][Ring2][O][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@H](OCC)C1,1,JWYOKBPWLVCFKU-ICYKMPLBSA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(OCC)CC[NH2+]2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring2][#Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C,1,FZTXBRKPIRTQCY-QEGDFHJFSA-O,,,,CC(C)CNC(=O)C(C)[NH2+]CC(Cc1ccccc1)NC(=O)c1cc(C(=O)NC(C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][=N][NH1+1][=C][Branch2][Ring1][#C][N][C@@H1][Branch2][Ring1][Branch1][C][C@H1][C@H1][Branch1][=N][S][C][=C][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][Branch1][C][C][C],Clc1cc2CC([NH+]=C(N[C@@H](C[C@H]3[C@H](SC=C3c3cn[nH]c3)CCC)C(=O)[O-])c2cc1)(C)C,1,YYZYQKKGRXYVDU-HLAWJBBLSA-N,,,,CCCC1SC=C(c2cn[nH]c2)C1CC(NC1=[NH+]C(C)(C)Cc2cc(Cl)ccc21)C(=O)[O-],
+[O][C][C@][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][=C][Ring1][O][C][=C][N][=C][N][=C][Ring1][=Branch1],O1C[C@]2(N=C1N)c1cc(ccc1Oc1c2cc(OCC(C)C)cc1)-c1cncnc1,1,JWSHQJYDXNPIKG-QHCPKHFHSA-N,,,CHEMBL2177343,,366368.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][C][C][C@][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C@@H1][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1],Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2,1,JJJDOYFRIVNWHV-WUCUQKTKSA-O,,,,CC(=O)NC1(CC(C)C)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3ccccc3C[NH2+]2)C1=O,
+[S][C][O][C][Branch2][Ring2][S][C][C@H1][Branch2][Ring1][=Branch2][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][C],s1c2OC(C[C@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc3ccccc3)c2cc1CC(C)(C)C)(C)C,1,YLIBYDKWVPKMKX-RJGXRXQPSA-O,,,,CC(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC(C)(C)Oc2sc(CC(C)(C)C)cc21,
+[S][Branch2][=Branch1][=C][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][Branch1][C@@H1][Branch1][C][O][C@@H1][C][C][=Branch1][C][=O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][NH2+1][C][C][C][C][C][C][Branch1][C][C][C][C],S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C,1,YFDLSIPCLMLOKZ-WKXXOEGVSA-O,,,,CCCC[NH2+]C(=O)C(NC(=O)C1CC(=O)CC1C(O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(C)=O)C(C)C,
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][C@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=N][C][Branch1][=Branch2][N][C][C@H1][C][C@@H1][Ring1][Ring1][C][=C][Ring1][N][N][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C@@H1][Branch1][C][NH3+1][C][C][C][C],s1cc(cc1)C[C@H](NC(=O)c1cc(nc(NC[C@H]2C[C@@H]2C)c1)N(S(=O)(=O)C)C)[C@@H]([NH3+])CCCC,1,MSSOOXCWRUWADA-CZGNIMDHSA-O,,,,CCCCC([NH3+])C(Cc1ccsc1)NC(=O)c1cc(NCC2CC2C)nc(N(C)S(C)(=O)=O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1,XIQAKRFMIYGAIR-XZWHSSHBSA-O,,,,CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C@@H1][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C],O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC,1,KSRGIPYZQZCBMH-HSZRJFAPSA-N,,,CHEMBL1821819,CCCC(Cc1cc2cc(-c3ccccc3C)ccc2nc1N)C(=O)NCC1CCCCC1,333157.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#C][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][C][=Branch1][Branch1][=N][N][=Ring1][Branch1][C@][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C,1,QEJSJQVKMSAHHX-KWMCUTETSA-O,,,,CC(NC(=O)c1cc(-c2nnc(C(C)([NH3+])Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[O][Branch1][C][C][C][=C][Branch2][Ring2][O][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C@@][Branch1][=N][NH1+1][=C][Branch1][C][N][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C],O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C,1,PZSMDBYYYKPYFV-QHCPKHFHSA-O,,,,COc1c(C)cc(C2(c3cccc(-c4cncnc4)c3)N=C(C)C(N)=[NH+]2)cc1C,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C@][Branch1][=N][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C,1,BAILJXDQIBWAPX-GKRYNVPLSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCc2n[nH]cc2C1,
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch2][Ring1][Branch1][N][=C][Branch1][S][O][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C,1,MELQHVBGGSKVJQ-YJBOKZPZSA-N,,,CHEMBL2347208,,381669.0
+[O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch2][C@H1][Branch1][C][O][C][NH2+1][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1,1,ARWMRRUIIHCDKG-PWUSVURUSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1,
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch2][Ring1][=Branch1][N][=C][Branch1][P][O][C@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C@@H1][Ring1][#Branch2][F][N][C],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C,1,UMHIFKHNODSZCU-RLFYNMQTSA-N,123867329.0,"cid is 123867329,compound_name is N-[3-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide,cid_paras is 123867329,Molecular_Weight is 439.3,XLogP3 is 2.6,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 10,Rotatable_Bond_Count is 3,Exact_Mass is 439.10676552,Monoisotopic_Mass is 439.10676552,Topological_Polar_Surface_Area is 113,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 769,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 3,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL2347188,,381649.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][NH2+1][C][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][\C][=C][\C][=C][/C],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@@H](C1)C\C=C\C=C/C,1,GCIRHOMRXJSTSP-UXZCNJPSSA-O,,,,CC=CC=CCC1CC[NH2+]C(C(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)N(CCC)CCC)c2)C1,
+[F][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][#C][C][C][C][F][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,ZSIZOKHLIKKQIV-JOCHJYFZSA-N,,,CHEMBL1270835,,232700.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#C][N][Branch1][C][C][C][=C][C][=Branch2][Ring2][Ring2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C,1,VPNIQGRFZCTBEZ-SPTGULJVSA-O,,,,CC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][S][N][Branch2][Branch1][Ring2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch2][C@H1][Branch1][C][O][C][NH2+1][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C,1,PSSKPAZTPVDDNS-RJSONGRPSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N(c2ccccc2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1,
+[O][C][=N][C][=C][Branch2][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring2][Ring1][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][O][C][C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][S][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2[C@@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)[C@H](OC)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C,1,OMMVFRZSBCRMQD-LJYZBVLISA-O,,,,COC(C)C(=O)NC(Cc1ccc2c(c1)OCO2)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[O][C][C][C][C][N][C][=C][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][O][C],O1CCCCNc2cc(cc(c2)C(=O)N[C@@H](Cc2cc1ccc2)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC,1,GCZHKZTYTMTFGU-JHOUSYSJSA-O,,,,COCc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]C1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2,
+[O][C][=C][Branch1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch2][Ring1][S][NH2+1][C][C@@H1][Branch1][C][O][C@H1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=C][C][Branch1][Ring2][C][Ring1][=C][=C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][P][C][C][C][Ring1][Ring2],O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCc3cc(C2)ccc3)CC12CCC2,1,NUISAGYICVEVAE-HZFUHODCSA-O,,,,CCc1ccc2c(c1)C([NH2+]CC(O)C1Cc3cccc(c3)CCCCCCC(=O)N1)CC1(CCC1)O2,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][#N][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1,ZAVRTXWWDAGODB-XDFJSJKPSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cc(C#N)ccc21,
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch2][Ring1][Branch1][N][=C][Branch1][S][O][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][F],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)CF,1,QCMXWFUAVCHHIA-MAUKXSAKSA-N,123319845.0,"cid is 123319845,compound_name is N-[3-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide,cid_paras is 123319845,Molecular_Weight is 439.3,XLogP3 is 2.5,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 10,Rotatable_Bond_Count is 4,Exact_Mass is 439.10676552,Monoisotopic_Mass is 439.10676552,Topological_Polar_Surface_Area is 113,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 754,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 2,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL2347187,,381648.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][N][C][=C][Branch1][=Branch1][C][C][C][Ring1][=Branch2][C][Branch1][Ring2][N][C][C][=C][C][=Branch1][Ring2][=C][Ring1][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C,1,JAQQVYMOVUUAHB-MFMCTBQISA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(OC)c2)cc2c1CCCS(=O)(=O)N2C,
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,1,RNJTYVPMRSKRKE-HXUWFJFHSA-N,11539562.0,"cid is 11539562,compound_name is (5r)-2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one,cid_paras is 11539562,Molecular_Weight is 445.4,XLogP3 is 3.2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 9,Rotatable_Bond_Count is 4,Exact_Mass is 445.11618739,Monoisotopic_Mass is 445.11618739,Topological_Polar_Surface_Area is 93.7,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 722,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 1,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL568115,,206138.0
+[F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1,1,RKYFABJLGJZOBA-OAQYLSRUSA-N,11990754.0,"cid is 11990754,compound_name is 2-Amino-5-(2',5'-difluoro-1,1'-biphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one,cid_paras is 11990754,Molecular_Weight is 378.4,XLogP3 is 2.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 3,Exact_Mass is 378.12921747,Monoisotopic_Mass is 378.12921747,Topological_Polar_Surface_Area is 71.6,""Unit"":""Ų"",Heavy_Atom_Count is 28,Formal_Charge is 0,Complexity is 624,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1092788,,216942.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][C][Branch1][#Branch2][N][Branch1][Branch1][C][=C][Ring1][Branch1][C][C][=C][Ring1][P][C][C][C][C][C][=C][C][=Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)CC=1CCC=CC=1,1,PCKMTKQQVLQNHH-QCENPCRXSA-O,,,,CCn1ccc2c(N3CCCC3=O)cc(C(=O)NC(CC3=CC=CCC3)C(O)C[NH2+]Cc3cccc(OC)c3)cc21,
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch1][#C][N][=C][Branch1][#Branch2][O][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)C,1,DVMUZHLUMHPCGZ-QGZVFWFLSA-N,,,CHEMBL2347215,,381676.0
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C@@][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1,1,MPQDZTDGJUCWQL-HXUWFJFHSA-N,,,CHEMBL2349612,CN1C(=O)C2(CC(C)(C)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N,382669.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][P][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][N][Branch1][#C][C][C][N][Branch1][Branch1][C][C][Ring1][#C][C][Ring1][N][=Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C,1,UKAHVQYVCSVAKY-BHBYDHKZSA-O,,,,CCN1CCN2CCS(=O)(=O)N(C)c3cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]Cc4cccc(OC)c4)cc1c32,
+[O][=C][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][C@@H1][Branch1][=Branch1][N][C][Ring1][Branch1][=O][C][C][C][C][Branch2][Ring1][O][N][C@@][Ring2][Ring1][=Branch1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=N],O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N,1,SILGEXOUELDSRZ-GMCHKSTQSA-N,,,CHEMBL1231280,,228824.0
+[O][C][C][=C][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch2][C][C][C][=C][C][Branch1][=C][C][C@][Branch1][C][NH3+1][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O][=C][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N],O1Cc2cc(cc(c2)C(=O)N[C@H](CCc2cc(C[C@]([NH3+])(C)C1=O)ccc2)c1ccccc1)-c1ccccc1C#N,1,LTHZWJXJHAGGMX-QIKUIUABSA-O,,,,CC1([NH3+])Cc2cccc(c2)CCC(c2ccccc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][N][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C@][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C,1,PTQRJCCBUDSHTQ-WHLCRQNOSA-O,,,,CC(NC(=O)c1cc(COC(=O)C(C)([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[O][=C][N][C@@H1][Branch2][Ring1][N][C][C@@H1][Branch2][Ring1][=Branch1][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Ring2][Ring1][C][C][C][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],O=C1N[C@@H](C[C@@H](CCCCCCCCC(=O)N(C)[C@H]1C)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C,1,LHBBUGLYVFZUTH-GXVHRJHYSA-O,,,,CC1CCCCCCCCC(=O)N(C)C(C)C(=O)NC(C(O)C[NH2+]Cc2cccc(C(C)C)c2)C1,
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch1][N][N][=C][Branch1][#Branch1][O][C][C@@H1][Ring1][=Branch1][F][N][C],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@@H]1F)N)C,1,ALKHFUPBQSAGMS-MAUKXSAKSA-N,,,CHEMBL2347204,,381665.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][=Branch2][=N][C@][Ring1][=Branch1][Branch1][P][C][=C][C][=Branch1][#Branch2][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][N],O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N,1,QQPRKWVAAAEILV-QHCPKHFHSA-N,,,CHEMBL590730,,210866.0
+[O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][=Branch1][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(CCCC(C)C)(C)C)Cc1ccccc1,1,BNTVCVCCNARYIP-URLMMPGGSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C)(C)CCCC(C)C)cc(N2CCCC2=O)c1,
+[O][C][=C][Branch1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch2][Ring1][P][NH2+1][C][C@@H1][Branch1][C][O][C@H1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C][Branch1][Ring2][C][Ring1][#C][=C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring2][C][C][C][C][Ring1][Ring2],O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCCc3cc(C2)ccc3)CC12CCC2,1,QPAQZVPVDCXNCF-YTCPBCGMSA-O,,,,CCc1ccc2c(c1)C([NH2+]CC(O)C1Cc3cccc(c3)CCCCCCCC(=O)N1)CC1(CCC1)O2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch2][=Branch2][N][Branch1][C][C][C][=C][C][=Branch2][=Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][=C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])COc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C,1,XYKCBRCSBVZGIL-YGZSNBDOSA-L,,,,CC(NC(=O)c1cc(C(=O)NC(COc2cc(F)cc(F)c2)C(O)CC(=O)NC(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)C(C)C)cc(N(C)S(C)(=O)=O)c1)c1ccccc1,
+[O][=C][Branch1][O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][NH3+1][C][C][C][=Branch1][C][=O][O-1][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C],O=C(N[C@H](C(=O)[O-])C)[C@@H]1CCC[C@H]1[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C,1,WQVHGVDOXBCVGL-ZPWOCEPRSA-M,,,,CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)C(O)C1CCCC1C(=O)NC(C)C(=O)[O-],
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1,1,QPGDTFHILHXFBQ-WUFINQPMSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,TWVGNKMRZLBNOD-QHCPKHFHSA-N,11516577.0,"cid is 11516577,compound_name is 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11516577,Molecular_Weight is 386.4,XLogP3 is 2.9,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 4,Exact_Mass is 386.17427596,Monoisotopic_Mass is 386.17427596,Topological_Polar_Surface_Area is 80.8,""Unit"":""Ų"",Heavy_Atom_Count is 29,Formal_Charge is 0,Complexity is 638,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1236759,,
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch2][Ring1][=Branch1][N][=C][Branch1][P][O][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C@@H1][Ring1][#Branch2][F][N][C],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C(F)(F)F)[C@@H]1F)N)C,1,UMHIFKHNODSZCU-HDMKZQKVSA-N,123867329.0,"cid is 123867329,compound_name is N-[3-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide,cid_paras is 123867329,Molecular_Weight is 439.3,XLogP3 is 2.6,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 10,Rotatable_Bond_Count is 3,Exact_Mass is 439.10676552,Monoisotopic_Mass is 439.10676552,Topological_Polar_Surface_Area is 113,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 769,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 3,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL2347189,,381650.0
+[F][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch2][Ring1][=Branch1][NH1+1][=C][Branch1][P][N][C][C][Branch1][C][F][Branch1][C][F][C][N][=C][Ring1][O][Ring1][Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1,1,RECVUKARQVUVBY-XMMPIXPASA-O,,,,COc1cccc(-c2cccc(C3(c4ccncc4)[NH+]=C(N)N4CC(F)(F)CN=C43)c2)c1F,
+[O][=C][Branch2][Branch1][Ring2][N][C@H1][Branch2][Ring2][=Branch1][C@H1][Branch1][C][O][C][NH2+1][C@H1][C][C][Branch2][Ring1][=Branch1][C][C][=N][N][Branch1][#Branch1][C][=C][Ring1][=Branch2][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],O=C(N[C@H]([C@H](O)C[NH2+][C@H]1CC(Cc2nn(cc12)CC(C)(C)C)(C)C)Cc1ccccc1)C,1,RUVGZLLBYDXKFE-WPFOTENUSA-O,,,,CC(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC(C)(C)Cc2nn(CC(C)(C)C)cc21,
+[Cl][C][=C][C][=Branch1][#C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][#N][=N],Clc1cc(cc(Cl)c1NC(=O)C)CNC(NC(=O)Cn1c2cc(ccc2cc1)C#N)=N,1,QNSBKNRQYCQXMO-UHFFFAOYSA-N,,,CHEMBL5270666,,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C,1,RJXIEHBFRZLGTH-IZZNHLLZSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCCCC1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Ring1][=N][C@@][Ring1][=Branch1][C][C][Branch2][Ring1][=Branch1][C][C][=C][Ring1][=Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][Branch1][C][C][C][N],O=C1N(C)C(=N[C@@]12CC(Cc1c2cc(cc1)-c1cncnc1)(C)C)N,1,UPOMBIAVTOFWMY-LJQANCHMSA-N,,,CHEMBL2349470,,382569.0
+[O][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch2][#Branch1][S][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][Ring2][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][Branch1][Ring1][O][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],O(C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](CCC(=O)N)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(OC)=O)C)C)Cc1ccccc1)C,1,OCAGLXMEXWSQMK-FGOHUDEMSA-N,,,,COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N(C)C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CC(O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][#C][C][C][=C][C][Branch1][=C][C][C@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][#C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Branch1],S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,GCVKLIOGBJALOK-VPJOFFEXSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(CC(O)C(F)(F)F)c3)C2O)c1,
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch1][#C][N][=C][Branch1][#Branch2][O][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][F],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)CF,1,OIFTUNMTFHXWBX-QGZVFWFLSA-N,,,CHEMBL2347190,,381651.0
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch1][O][N][=C][Branch1][=Branch1][O][C][C][Ring1][=Branch1][N][C],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C,1,ZTXUJRWOHXVUAT-SFHVURJKSA-N,,,CHEMBL2347203,,381664.0
+[S][Branch2][Branch1][N][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Branch1][C][C][C][C],S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C,1,PEWRQHFGBBTOMS-FFYZIMEISA-N,,,CHEMBL1097361,,215710.0
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch1][O][N][=C][Branch1][=Branch1][O][C][C][Ring1][=Branch1][N][C][Branch1][C][F][F],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C(F)F,1,ZQBDXEARYNLKKR-SFHVURJKSA-N,,,CHEMBL2347206,,381667.0
+[O][=C][N][Branch1][P][C][C][C@][Ring1][Branch1][N@H1+1][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][C@H1][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch1][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],O=C1N(CC[C@]12[N@H+](CCC2)CCC)[C@H](C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1)C,1,MOXAMLWWFJKUEH-XGZLTPBASA-P,,,,CCC[NH+]1CCCC12CCN(C(C)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cccc(C(C)C)c1)C2=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][NH1][C][=C][Ring1][Branch1][C][C][Branch1][C][F][F][C][=C][Ring1][=N][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,OOZZVYSXZBAROL-PSUQPPDWSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc4[nH]cc(CC(F)F)c4c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch2][Branch2][N][Branch1][C][C][C][=C][C][=Branch2][#Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][Ring2][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][Branch1][Ring1][O][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C,1,BYPTUSJUZLWKPS-NVUXHHRNSA-N,,,CHEMBL2181011,,368256.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][Branch2][N][N][=C][C][=C][Ring1][Branch1][=C][C][=C][Ring1][O],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1,1,QXNFPOMRKODYSK-IZZNHLLZSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-n3cccn3)c2)CCCCC1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][C][=N][C@@][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cccnc1)c1ccncc1)N,1,AIKOTXHNUIYVMD-HXUWFJFHSA-N,15950666.0,"cid is 15950666,compound_name is 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one,cid_paras is 15950666,Molecular_Weight is 343.4,XLogP3 is 1.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 3,Exact_Mass is 343.14331018,Monoisotopic_Mass is 343.14331018,Topological_Polar_Surface_Area is 84.5,""Unit"":""Ų"",Heavy_Atom_Count is 26,Formal_Charge is 0,Complexity is 558,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL604590,CN1C(=O)C(c2ccncc2)(c2cccc(-c3cccnc3)c2)N=C1N,210810.0
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,AOGBXAFIKRFUPJ-IBGZPJMESA-N,15949919.0,"cid is 15949919,compound_name is 2-Amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-thiophen-3-ylimidazol-4-one,cid_paras is 15949919,Molecular_Weight is 348.4,XLogP3 is 2.2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 3,Exact_Mass is 348.10448232,Monoisotopic_Mass is 348.10448232,Topological_Polar_Surface_Area is 99.8,""Unit"":""Ų"",Heavy_Atom_Count is 25,Formal_Charge is 0,Complexity is 554,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1824354,CN1C(=O)C(c2ccsc2)(c2cccc(-c3cccnc3)c2)N=C1N,334062.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=N][N][Branch1][C][C][C][=C][C][=Branch2][Ring2][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][=Branch1][C@H1][Branch1][C][O][C@@H1][NH2+1][C][Branch1][=Branch2][N][Branch1][C][C][C][Ring1][=Branch1][=O][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)[C@@H]1[NH2+]C(N(C)C1=O)(C)C)Cc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1)C,1,YNXGIROKYOHHJW-UFAZYNLISA-O,,,,CC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C2[NH2+]C(C)(C)N(C)C2=O)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[O][=C][Branch1][C][N][C][C][C@H1][Branch2][Ring1][N][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][Branch2][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch2][Ring1][C][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1],O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1,1,ZJIMEGVHLFPVKH-YGPBSGGXSA-M,,,,CC(C)CC(NC(=O)CC(O)C(CC1CCCCC1)NC(=O)C(CCC(N)=O)N(C)C(=O)C(NC(=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)N(C)C(CC1CCCCC1)C(=O)[O-],
+[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C],O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C,1,JBOWUKRDBGMOJZ-UHFFFAOYSA-N,,,CHEMBL1821811,,333149.0
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=Branch1][C][=O][N][Branch1][Ring2][C][=Ring1][=N][C][C][C][C][C][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)C=1C=C(N2CCCC2=O)C(=O)N(C=1)C1CCCC1)Cc1ccccc1,1,QKLJNYJRYSKKKP-LMSSTIIKSA-O,,,,O=C(NC(Cc1ccccc1)C(O)C[NH2+]Cc1cccc(C(F)(F)F)c1)c1cc(N2CCCC2=O)c(=O)n(C2CCCC2)c1,
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch1][N][N][=C][Branch1][#Branch1][O][C][C@@H1][Ring1][=Branch1][F][N][C][F],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@@H]1F)N)CF,1,MMPPCMJOPZGPPA-MAUKXSAKSA-N,,,CHEMBL2347186,,381647.0
+[F][C][Branch1][C][F][C][N][C][=Branch1][Branch1][=N][C][Ring1][#Branch1][C@][Branch1][=Branch1][NH1+1][=C][Ring1][#Branch1][N][Branch1][S][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][O][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1,1,DOQWIXXNZSOWDD-HSZRJFAPSA-O,,,,COCC#Cc1cccc(C2(c3ccc(OC(F)F)cc3)[NH+]=C(N)N3CC(F)(F)CN=C32)c1,
+[O][C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][NH2+1][C@H1][Branch1][Branch2][C][\C][=C][\C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],O1C[C@H](NC(=O)c2cc(cc(c2)[C@@H](O)[NH2+][C@H](C\C=C\C1)c1ccccc1)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C,1,FEUYXPWPHCWFBH-PZVFLSSMSA-P,,,,Cc1cc2cc(c1)C(O)[NH2+]C(c1ccccc1)CC=CCOCC(C(O)C[NH2+]Cc1cccc(C(C)C)c1)NC2=O,
+[NH1+1][C@][Branch1][#Branch2][N][=C][Branch1][C][C][C][=Ring1][=Branch1][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#C][C],[NH+]=1[C@](N=C(C)C=1N)(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC,1,TWHSRVVFCICXII-OAQYLSRUSA-O,,,,CC#Cc1cncc(-c2cccc(C3(C4CC4)N=C(C)C(N)=[NH+]3)c2)c1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Branch1][=N][C@@][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][N],O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N,1,DNDFMOOQRXKYQL-IBGZPJMESA-N,,,CHEMBL1824134,CCn1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1,333977.0
+[O][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C],O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C,1,LASIJFPKQNWUQE-OAQYLSRUSA-N,,,CHEMBL2349613,CN1C(=O)C2(CC(C)(C)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N,382670.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1,1,JPMPCSZOVMUPRZ-UZNNEEJFSA-O,,,,CCCCN(CCCC)C(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring2][C@][Branch1][S][NH1+1][=C][Branch1][C][N][C@@H1][C@H1][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][Ring2][C][=C][Branch1][C][F][C][=C][Ring1][S],Clc1ccc(nc1)C(=O)Nc1cc([C@]2([NH+]=C(N)[C@@H]3[C@H](C2)C3)C)c(F)cc1,1,MELPDVINWCDKRF-JXBWDGJFSA-O,,,,CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CC2CC2C(N)=[NH+]1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring2][Ring2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)c1ccccc1)C,1,WCVRLSCSQDAERN-RRPNLBNLSA-O,,,,CN(c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)cc(C(=O)c2ccccc2)c1)S(C)(=O)=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][N][C@][Branch2][Ring2][C][C][C@@H1][Branch2][Ring1][N][N@H1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][O][C][C][N][Ring2][Ring1][=Branch2][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1,1,UICGCQDWRACUBV-MHECFPHRSA-O,,,,CC(C)Oc1cc(C[NH+]2CCC3(CC2C)CN(C)S(=O)(=O)N3c2cccc(F)c2)ccc1O,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1,1,MNZJYJDKCYJKMU-UHFFFAOYSA-N,11561538.0,"cid is 11561538,compound_name is 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine,cid_paras is 11561538,Molecular_Weight is 453.9,XLogP3 is 4.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 6,Exact_Mass is 453.1356380,Monoisotopic_Mass is 453.1356380,Topological_Polar_Surface_Area is 78.8,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 597,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1091999,,217585.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch1][#Branch2][C][Branch1][Ring2][C][C][C][C][C][C][C][C@@H1][Branch1][S][N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(=O)(=O)(C(CCC)CCC)C[C@@H](NC(OCc1ccccc1)=O)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1,0,FJYALDRNDKNYKU-LBFZIJHGSA-O,,,,CCCC(CCC)S(=O)(=O)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cccc(OC)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][NH2+1][C][C][N@@H1+1][Branch1][Ring2][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[N@@H+](C1)Cc1ccccc1,0,ZHZSBUKNHGZRTJ-DSPMFFIESA-P,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2C[NH+](Cc3ccccc3)CC[NH2+]2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch2][Branch1][N][C@@H1][C][C@H1][Branch2][#Branch1][=N][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][Ring2][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][Branch1][Ring1][O][C][=O][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C],S(=O)(=O)(N[C@@H]1C[C@H](C[C@@H](C1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)CC1CCCCC1)C(=O)N[C@H](C)C1CCCCC1)C,0,FXPIAZPKUUKFQJ-NJNNEVTFSA-N,,,,COC(=O)C1CCCN1C(=O)C(CC1CCCCC1)N(C)C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CC(O)C(CC1CCCCC1)NC(=O)C1CC(NS(C)(=O)=O)CC(C(=O)NC(C)C2CCCCC2)C1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][P][C][C][=C][C][Branch1][C][F][=C][N][C][C][Branch1][=C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][Ring1][N][=C][Ring1][P][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][#Branch1],S1(=O)(=O)C[C@@H](Cc2cc(F)c3NCC4(CCC(F)(F)CC4)c3c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,YSVPVGYQIWTLEZ-UDZXTKBFSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c4c(c3)C3(CCC(F)(F)CC3)CN4)C2O)c1,
+[O][=C][Branch2][Ring1][O][N][C][C][C@H1][Branch1][=N][C][C@H1][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][NH2+1][C][C@][Ring1][Branch1][C][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1],O=C(N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1)[C@@H]1C[NH2+]C[C@]12CCCc1c2cccc1,0,MXPUWFOJTXJTTA-RNWXARPHSA-O,,,,O=C(C1C[NH2+]CC12CCCc1ccccc12)N1CCC(c2ccccc2)CC1c1ccccc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][#C][C][C][=C][C][Branch1][P][C][C@@H1][N][Branch1][Ring2][C][C][C][C][Branch1][Branch1][O][C][Ring1][Branch2][=O][=C][Branch1][C][O][C][=C][Ring1][P][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring2][=Branch1],S1(=O)(=O)C[C@@H](Cc2cc(C[C@@H]3N(CCC)C(OC3)=O)c(O)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)C)C1,0,JYNDAPHZRSRSGI-KAHNYGAISA-O,,,,CCCN1C(=O)OCC1Cc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)ccc1O,
+[S][C][C@H1][Branch1][#C][N][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][S][C][\C][=C][\C][Ring2][Ring1][#Branch2][C@@H1][Branch1][C][O][C][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C],S1C[C@H](NC(OC(C)(C)C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CSC\C=C\C1)[C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCCCC)C,0,YFVXRNZNJJXEKV-DYASFXQMSA-N,9547928.0,"cid is 9547928,compound_name is {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1-Butylcarbamoyl-2-methyl-propylcarb amoyl)-1-hydroxy-butyl]-6-methyl-5, 8-dioxo-1,11-dithia-4,7-diaza-cyclo pentadec-13-EN-9-YL}-carbamic acid tert-butyl ester,cid_paras is 9547928,Molecular_Weight is 673.9,XLogP3 is 3.2,Hydrogen_Bond_Donor_Count is 6,Hydrogen_Bond_Acceptor_Count is 9,Rotatable_Bond_Count is 13,Exact_Mass is 673.35429146,Monoisotopic_Mass is 673.35429146,Topological_Polar_Surface_Area is 226,""Unit"":""Ų"",Heavy_Atom_Count is 45,Formal_Charge is 0,Complexity is 1010,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 6,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 1,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL377149,,131133.0
+[O][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2],O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0,HZIOSWLCMNAEBB-RCRNZYILSA-N,,,CHEMBL571320,,206096.0
+[Cl][C][=C][C][C][C][Branch2][Ring2][#C][NH1+1][=C][Branch2][Ring1][P][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring2][N][=Ring1][#Branch1][C][=C][N][=C][Ring1][#Branch1][C][=Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][Branch1][C][C][C],Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C,0,DQYKHJYAOKSEPD-QFIPXVFZSA-O,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2nc3ccncc3c(=O)[nH]2)=[NH+]1,
+[O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C@H1][Branch1][C][O][C][NH2+1][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCCCC1)Cc1ccccc1,0,PVDHVIVUNLQJLY-RRPNLBNLSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CCCCC2)cc(N2CCCC2=O)c1,
+[F][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C@][Branch1][#C][N][=C][Branch1][#Branch2][O][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C],Fc1ccc(NC(=O)c2ncc(OCC)cc2)cc1[C@]1(N=C(OCC1(F)F)N)C,0,DWKGLYKXNUIYDM-GOSISDBHSA-N,,,CHEMBL2347367,,381696.0
+[O][Branch2][=Branch2][=C][C][=Branch1][C][=O][C@H1][N][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch2][#Branch1][S][N][Branch2][#Branch1][O][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][N][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C],O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C,0,HCVADBUPALKYJO-HVGQEOIXSA-N,,,,COC(=O)C1CCCN1C(=O)C(CC1CCCCC1)N(C)C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CC(O)C(CC1CCCCC1)NC(=O)C(CCC(N)=O)N(C)C(=O)C(NC(=O)C(C)O)C(C)C,
+[S][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][NH2+1][C][C][C][C@@H1][Ring1][=Branch1][S][C][\C][=C][\C][Ring2][Ring1][Branch1][C][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C],S1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2[NH2+]CCC[C@@H]2SC\C=C\C1)C)[C@@H](O)C[C@H](C(=O)NCCCC)C,0,FIWCVIADXWJIGF-NFXSCPKSSA-O,,,,CCCCNC(=O)C(C)CC(O)C1CSCC=CCSC2CCC[NH2+]C2C(=O)NC(C)C(=O)N1,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)Cc1ccccc1,0,WPRACYICKOKGTO-XZWHSSHBSA-O,,,,CCCN(CCC)C(=O)c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[O][=C][Branch2][=Branch1][N][N][C][C@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][O][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=N][N][=N][N-1][Ring1][Branch1],O=C(NC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cc(ccc1)C(=O)[O-])c1nnn[n-]1,0,TYEKMZGTYFOHNG-NAJARDBOSA-M,,,,CC(C)CC(NC(=O)C(NC(=O)C([NH3+])CNC(=O)c1nnn[n-]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1,
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C@][Branch1][P][NH1+1][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],Fc1ccc(cc1-c1cncnc1)[C@]1([NH+]=C(N)c2c1cccc2F)c1cc(ncc1)C(F)(F)F,0,UDQUVXUVXUGJFO-QHCPKHFHSA-O,,,,NC1=[NH+]C(c2ccnc(C(F)(F)F)c2)(c2ccc(F)c(-c3cncnc3)c2)c2cccc(F)c21,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C],O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C,0,VDFBMQAUECXNKR-OAQYLSRUSA-N,11537623.0,"cid is 11537623,compound_name is 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one,cid_paras is 11537623,Molecular_Weight is 351.4,XLogP3 is 2.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 5,Exact_Mass is 351.19467705,Monoisotopic_Mass is 351.19467705,Topological_Polar_Surface_Area is 67.9,""Unit"":""Ų"",Heavy_Atom_Count is 26,Formal_Charge is 0,Complexity is 535,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL239857,,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=C][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][O][C][C@][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C,0,JVYHUOIVVLDSHT-GDJIYFAZSA-O,,,,CC(NC(=O)c1cc(C(=O)OCC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][N][=C][C][=C][Branch1][#Branch1][C][Ring1][=Branch1][=C][Ring1][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)c2nccc(c2c1)CC)Cc1ccccc1,0,YDNCUOPJVVQEMT-MFMCTBQISA-O,,,,CCc1ccnc2c(N3CCCC3=O)cc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc12,
+[Cl][C][=C][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C@@][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1][=C][Branch1][C][F][C][=C][Ring2][Ring1][N],Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1,0,WIRKEQRUHLXVOQ-QFIPXVFZSA-N,,,CHEMBL2177331,COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cc(Cl)ccc3F)ccc1O2,366356.0
+[Br][C][=C][S][C][=C][Ring1][Branch1][C][C@H1][Branch2][Ring1][=Branch2][N][C][=NH1+1][C][Branch1][#C][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Branch1][C][C][C][C][=Branch1][C][=O][O-1],Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-],0,LZMNPXMCRBRYAN-HNNXBMFYSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2Br)C(=O)[O-])=[NH+]1,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][#C][NH1+1][=C][Branch1][C][N][C][N][Branch1][C][C][C][Ring1][Branch2][=O][C],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)[C@]1([NH+]=C(N)CN(C)C1=O)C,0,MRYFMHAPTQCQLE-GOSISDBHSA-O,,,,CN1CC(N)=[NH+]C(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1=O,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C],O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C,0,LQOCXPOKEPYGTJ-IBGZPJMESA-N,,,CHEMBL1233206,,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Ring2][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch1][C][O][C][\C][=C][\C][C@H1][Branch1][=Branch1][N][C][Ring1][P][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\C=C\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C,0,XYJDOUBLYLOJJL-YNYOQIOBSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C2COCC=CCC(c3ccccc3)NC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][#N][C][=C][Ring1][N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1,0,CERJQPWNRISSQS-UHFFFAOYSA-N,11719190.0,"cid is 11719190,compound_name is 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile,cid_paras is 11719190,Molecular_Weight is 442.9,XLogP3 is 4.8,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 8,Exact_Mass is 442.1560391,Monoisotopic_Mass is 442.1560391,Topological_Polar_Surface_Area is 76.9,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 616,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1089137,,217964.0
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch1][N][N][=C][Branch1][#Branch1][O][C][C@H1][Ring1][=Branch1][F][N][C],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@H]1F)N)C,0,ALKHFUPBQSAGMS-CRAIPNDOSA-N,,,CHEMBL2347205,,381666.0
+[Cl][C][=C][C][C][C][Branch2][Ring2][#Branch1][NH1+1][=C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][S][C][C][=C][S][C][=C][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][Branch1][C][C][C],Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C,0,ASNJXTHXWLJRAC-SFHVURJKSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2-c2cn[nH]c2)C(=O)[O-])=[NH+]1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][O][NH1+1][=C][Branch2][Ring1][=N][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=Branch1][Branch1][=C][N][=Ring1][#Branch1][C][#N][C][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][Branch1][C][C][C],Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C,0,SSQLUPVACAMCTQ-FQEVSTJZSA-O,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2ncc(C#N)c(=O)[nH]2)=[NH+]1,
+[S][C][=C][Branch2][Ring2][N][C][=C][Ring1][Branch1][C][Branch2][Ring1][#C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring2][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C],s1cc(cc1C1([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C,0,YEGCCSKZPHGALE-LEWJYISDSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(CC(C)(C)C)cs2)CC1,
+[S][Branch2][Branch1][Ring1][C][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Branch1][C][C][C][C],S(CC[C@H](NC(=O)CCC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C,0,XTRMRNMVFXWTCC-MLNNCEHLSA-N,,,CHEMBL461606,,172880.0
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=C][Branch1][#C][C][=C][C][=C][Branch1][Branch1][O][C][C][C][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=NH2+1][N],Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N,0,VZSMTBLDWPKVRW-UHFFFAOYSA-O,,,,CCCOc1ccc(-c2csc(-c3ccccc3Cl)c2CC(=O)NC(N)=[NH2+])cc1,
+[O][=C][N][C@@H1][Branch2][Ring1][=Branch1][C][C@@H1][Branch1][P][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Ring1][S][C][C][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C],O=C1N[C@@H](C[C@@H](CCCCCCCC(=O)N[C@H]1C)C)[C@@H](O)C[C@H](C(=O)NCCCC)C,0,ZUIGWVKXPZANDI-MJCUULBUSA-N,145725734.0,"cid is 145725734,compound_name is N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadec-5-yl]-4-hydroxy-2-methylbutanamide,cid_paras is 145725734,Molecular_Weight is 439.6,XLogP3 is 4.1,Hydrogen_Bond_Donor_Count is 4,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 7,Exact_Mass is 439.34100693,Monoisotopic_Mass is 439.34100693,Topological_Polar_Surface_Area is 108,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 555.0,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 3,Undefined_Atom_Stereocenter_Count is 2,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL490304,,172267.0
+[Br][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][=Branch1][C][=NH2+1][N][C][=Branch1][Branch1][=C][C][=Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],Brc1cc(ccc1)C(=O)Nc1ccc(cc1)-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccccc1,0,XWWAMKGNSKOVNS-UHFFFAOYSA-O,,,,NC(=[NH2+])NC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(NC(=O)c2cccc(Br)c2)cc1,
+[O][Branch1][Ring2][C][C][C][C][=C][C][=Branch1][S][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch2][C@H1][Branch1][C][O][C][NH2+1][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1,0,NFJZOPIVPQPDRI-KEPSJGTLSA-O,,,,CCCOc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1,
+[O][=C][N][Branch1][C][C][C][Branch2][Ring1][#Branch2][N][C@@][Ring1][=Branch1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=N],O=C1N(C)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N,0,SVQNYPQKWMFQJJ-LJQANCHMSA-N,,,CHEMBL583178,,202936.0
+[Cl][C][=C][C][C][C][Branch2][Ring2][Ring1][NH1+1][=C][Branch2][Ring1][Branch1][N][C@@H1][Branch1][N][C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][Branch1][C][C][C],Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C,0,SFUUSYIYAKSHRW-SFHVURJKSA-N,,,,CCCc1cscc1CC(NC1=[NH+]C(C)(C)Cc2cc(Cl)ccc21)C(=O)[O-],
+[S][C][=C][Branch1][=Branch1][N][=C][Ring1][Branch1][C][C][=Branch2][Ring2][=Branch1][=NH1+1][C@@][Ring1][Branch2][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N],s1c2c(nc1C)C(=[NH+][C@@]2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N,0,YQFNSFOVYAQJAF-HSZRJFAPSA-O,,,,COc1ccc(C2(c3cccc(-c4cncnc4)c3)[NH+]=C(N)c3nc(C)sc32)cc1,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][=Branch1][C][=NH2+1][N][C][=Branch1][Branch1][=C][C][=Ring1][N][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Ring1][S],Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1,0,MIEKBLPHNQZVQQ-UHFFFAOYSA-O,,,,CC(=O)c1ccc(Oc2ccc(-c3ccc(-c4ccccc4Cl)n3CC(=O)NC(N)=[NH2+])cc2)cc1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][=Branch1][NH1+1][=C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][N-1][Ring1][=Branch1][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][Branch1][C][C][C],Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C,0,NXGIEPDWNCVTFR-KRWDZBQOSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2noc(=O)[n-]2)=[NH+]1,
+[F][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][C@][Branch2][Ring1][Branch1][N][=C][Branch1][S][O][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C],Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C1)C(F)(F)F)N)C,0,MELQHVBGGSKVJQ-QAPCUYQASA-N,,,CHEMBL2347207,,381668.0
+[Br][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][Ring1][O],Brc1cc(ccc1O)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C2CC2)[C@H]1O,0,NDEIDRFQAYLHLT-CBQOVEMMSA-O,,,,O=S1(=O)CC(Cc2ccc(O)c(Br)c2)C(O)C([NH2+]Cc2cccc(C3CC3)c2)C1,
+[Cl][C][=C][C][=Branch1][#C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][\N][=C][Branch2][Ring1][=Branch1][\N][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][/N],Clc1cc(cc(Cl)c1NC(=O)C)C\N=C(\NC(=O)Cn1c2c(cccc2)cc1)/N,0,PTYGSLKLIDGJBA-UHFFFAOYSA-N,,,,CC(=O)Nc1c(Cl)cc(CN=C(N)NC(=O)Cn2ccc3ccccc32)cc1Cl,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][NH2+1][C][C][N][Branch1][Ring2][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CCN(C1)C(=O)c1ccccc1,0,ZJLWDMHHAMNWRK-QAXCHELISA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CN(C(=O)c3ccccc3)CC[NH2+]2)c1,
+[Br][C][=C][C][=Branch1][#Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][C][C@H1][Ring2][Ring1][Ring2][O],Brc1cc(cc(F)c1N)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C(F)(F)C)[C@H]1O,0,QBRKIXCNLLQOPH-WNYOCNMUSA-O,,,,CC(F)(F)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(Br)c3)C2O)c1,
+[S][Branch2][Ring2][S][O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][NH3+1][=C][Ring1][P][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(Oc1cc(cc(OCC(=O)NCCCCC[NH3+])c1)C(=O)N[C@H](C)c1ccc(F)cc1)(=O)(=O)Cc1ccccc1,0,UUMRCVIXZFKZAU-OAQYLSRUSA-O,,,,CC(NC(=O)c1cc(OCC(=O)NCCCCC[NH3+])cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccc(F)cc1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Ring2][=N][C@@][Ring1][=Branch1][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N,0,BEDDENNXVBITIQ-ZYUPVANMSA-N,,,CHEMBL585952,CN1C(=O)C(c2ccccc2)(C23CC4CC(CC(C4)C2)C3)N=C1N,206130.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][Branch1][N][Branch1][C][C][C][=N][C][C][C][C@@H1][Branch2][Ring2][#Branch1][C][C][C][=C][C][Branch2][Ring1][#Branch2][C][C@][Branch1][C][NH3+1][Branch1][C][C][C][Branch1][=C][O][C][C][=Branch1][Branch1][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Ring1][=O][=C][C][=C][Ring1][P][C][C],S(=O)(=O)(N(C)c1nc2CC[C@@H](CCc3cc(C[C@]([NH3+])(C)C(OCc(c1)c2)=O)ccc3)C)C,0,QWDOKZPZLWNULU-MZNJEOGPSA-O,,,,CC1CCc2cccc(c2)CC(C)([NH3+])C(=O)OCc2cc(nc(N(C)S(C)(=O)=O)c2)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch1][=Branch1][C][C][C][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch2][C@H1][Branch1][C][O][C][NH2+1][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1,0,FBMGVFBNGKNQCB-WTWMYVDVSA-O,,,,CCCCCS(=O)(=O)c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C)C(=O)NC2CCCCC2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][=Branch2][C@][Branch2][Ring1][#C][C][C@@H1][Branch2][Ring1][=Branch2][N@H1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1,0,CVPXZTQJPHYLAQ-YADARESESA-O,,,,CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(C)S(=O)(=O)N3c2cccc(F)c2)c1,
+[F][C][=C][C][Branch2][Branch1][C][N][C][Branch2][Ring1][O][C][C][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Ring1][#Branch2][C][=Branch1][#Branch1][=N][C][Ring2][Ring1][Branch1][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Ring1],Fc1cc(N2C3(CC[NH+](CC3)Cc3ccc(NC(=O)C)cc3)C(=NC2=O)NC2CCCCC2)ccc1,0,VXIOVOURIXSOTD-UHFFFAOYSA-O,,,,CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cccc(F)c2)cc1,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][#Branch2][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1,0,WCJQDRXUNINKDD-OAQYLSRUSA-N,,,CHEMBL2177315,COc1ccc(C2(c3cccc(-c4cccnc4F)c3)COC(N)=N2)cc1,366339.0
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][NH1+1][=C][Branch1][C][N][C@H1][Branch1][Ring1][O][C][C][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1,0,XBWQSEBJKSPBBV-FYYLOGMGSA-O,,,,COc1ccc(C2(c3cccc(-c4cccnc4)c3)CC(OC)C(N)=[NH+]2)cc1,
+[F][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][C][N][=C][Branch1][Branch1][NH1][C][=Ring1][Branch1][N],Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N,0,RFLOFHKRBGKCOB-AWEZNQCLSA-N,,,CHEMBL522520,COc1ccc(C(Cc2cc([N+](=O)[O-])ccc2OC)c2c[nH]c(N)n2)cc1F,179189.0
+[O][=C][Branch2][Ring1][P][N][C@H1][Branch2][Ring1][Ring1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][=Branch1][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C],O=C(N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)Cc1ccccc1)[C@H]1C[C@H](CCC1)C(NC(=O)C)(C)C,0,NGUMIHCAWWHVPZ-MTKOPPBXSA-N,,,CHEMBL1093388,,215776.0
+[O][=C][Branch1][#Branch1][N][C][=Branch1][C][=NH2+1][N][C][N][C][=Branch1][=C][=C][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1,0,WVLDNAVUCUAGDP-UHFFFAOYSA-O,,,,NC(=[NH2+])NC(=O)Cn1c(-c2ccccc2)ccc1-c1ccccc1,
+[Br][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C@@H1][Ring1][Branch2][O][C][=Branch1][C][=O][C@@H1][NH2+1][C][C@][Branch1][Ring2][C][Ring1][Branch1][C][=C][Branch1][=Branch1][N][C][Ring1][=Branch1][=O][C][=C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=N],Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1,0,AENVIUXFIDGFED-LLGFUMIMSA-O,,,,O=C(OC1CCS(=O)(=O)c2ccc(Br)cc21)C1CC2(C[NH2+]1)C(=O)Nc1ccccc12,
+[O][Branch1][#Branch2][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][NH1][C][=C][C][=Ring1][Branch1][C][=C][Ring1][=Branch2],O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1,0,KMBPJSHPAXOXBT-UHFFFAOYSA-N,11633167.0,"cid is 11633167,compound_name is N~3~-[5-(1h-Indol-6-Yl)-2-(Pyridin-2-Ylmethoxy)benzyl]pyridine-2,3-Diamine,cid_paras is 11633167,Molecular_Weight is 421.5,XLogP3 is 4.2,Hydrogen_Bond_Donor_Count is 3,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 7,Exact_Mass is 421.19026037,Monoisotopic_Mass is 421.19026037,Topological_Polar_Surface_Area is 88.8,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 576,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL220428,,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1,0,JEEOUWBWJFSMIP-CONSDPRKSA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1,0,QECXNBWGUGUPSI-ROUUACIJSA-N,,,CHEMBL2169933,,365073.0
+[Br][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][C][#N][C][O][C][=Branch1][C][=O][C@@H1][NH2+1][C][C@][Branch1][Ring2][C][Ring1][Branch1][C][=C][Branch1][=Branch1][N][C][Ring1][=Branch1][=O][C][=C][C][=C][Ring1][=Branch2],Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1,0,DJYALAFSFGHFLN-YLJYHZDGSA-O,,,,N#Cc1ccc(COC(=O)C2CC3(C[NH2+]2)C(=O)Nc2ccccc23)cc1Br,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@@][Branch1][O][O][C][C][C][=Branch1][Ring2][=NH1+1][Ring1][=Branch1][N][C],Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C,0,DAWFJSNCVYTRMO-KRWDZBQOSA-O,,,,CC1(c2cccc(-c3cccc(Cl)c3)c2)[NH+]=C(N)CCO1,
+[O][=C][N][Branch2][Ring1][#C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][Branch1][#C][N][C@@][Ring2][Ring1][=Branch2][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=N],O=C1N(Cc2ccc(cc2)CNC(=O)Nc2ccc(cc2)C#N)C(N[C@@]1(CC(C)C)C)=N,0,CTKHUQYUPSHMQE-XMMPIXPASA-N,,,CHEMBL584963,CC(C)CC1(C)NC(=N)N(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)C1=O,202897.0
+[Cl][C][=C][C][N][=C][Branch2][Ring1][#C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C@H1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][N],Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NCC1CCCCC1)CC)N,0,UKACQFCXAAAWAE-HNNXBMFYSA-N,,,CHEMBL1222240,,227805.0
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][#Branch2][NH1+1][=C][Branch1][C][N][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)CC1)c1cc(ccc1)-c1cncnc1,0,MLDNPVIFXVSEGX-OAQYLSRUSA-O,,,,COc1ccc(C2(c3cccc(-c4cncnc4)c3)CCC(N)=[NH+]2)cc1,
+[Cl][C][=C][C][N][=C][Branch2][Ring2][=Branch2][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C@H1][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][#Branch1][C][C][N],Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NC1C2CC3CC1CC(C2)C3)CC)N,0,KMAKOMVKNWTGPE-AKUVNNTDSA-N,,,CHEMBL1222300,,227834.0
+[NH1][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N],[nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N,0,LPQUIIHPUGDHJK-UHFFFAOYSA-N,11507920.0,"cid is 11507920,compound_name is N~3~-[3-(1h-Indol-6-Yl)benzyl]pyridine-2,3-Diamine,cid_paras is 11507920,Molecular_Weight is 314.4,XLogP3 is 3.7,Hydrogen_Bond_Donor_Count is 3,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 4,Exact_Mass is 314.153146591,Monoisotopic_Mass is 314.153146591,Topological_Polar_Surface_Area is 66.7,""Unit"":""Ų"",Heavy_Atom_Count is 24,Formal_Charge is 0,Complexity is 401,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL220896,,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@@][N][=C][Branch1][O][O][C@@H1][Ring1][Branch1][C][C][C][C][Ring1][=Branch2][N],Clc1cc(cnc1)-c1cc(ccc1)[C@@]12N=C(O[C@@H]1CCCC2)N,0,NVRCQOQFKIFZLP-SJLPKXTDSA-N,,,,NC1=NC2(c3cccc(-c4cncc(Cl)c4)c3)CCCCC2O1,
+[O][=C][N][C][=C][Branch1][#Branch1][C][=C][C][=C][Ring1][=Branch1][C@][Ring1][=Branch2][C][C@@H1][Branch1][Branch1][NH2+1][C][Ring1][Branch1][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][=O],O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O,0,QVGGPTMZUCXDDT-YLJYHZDGSA-O,,,,N#Cc1ccc(COC(=O)C2CC3(C[NH2+]2)C(=O)Nc2ccccc23)cc1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][C][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N],O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N,0,STUBOTPNCNDBOA-ROUUACIJSA-N,,,CHEMBL2169939,,365076.0
+[O][=C][N][Branch1][C][C][C][Branch2][Ring1][Branch2][N][C@][Branch1][Ring2][C][Ring1][#Branch1][Branch1][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N],O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N,0,YBXYDJCRBQOXMI-ZOWXZIJZSA-N,,,CHEMBL3040534,,
+[Br][C][=C][C][=C][Branch2][Ring2][Ring2][S][C][C][C@@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C@@H1][NH2+1][C][C@][Branch1][Ring2][C][Ring1][Branch1][C][=C][Branch1][=Branch1][N][C][Ring1][=Branch1][=O][C][=C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][O],Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1,0,OPUJSFZMYKHRTH-LLGFUMIMSA-O,,,,O=C(OC1CCSc2ccc(Br)cc21)C1CC2(C[NH2+]1)C(=O)Nc1ccccc12,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Ring2][C][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][C][C],S(=O)(=O)(Nc1cc(Nc2ncnc(c2)-c2ccccc2)ccc1C)C,0,CXQRKICWSCAUGW-UHFFFAOYSA-N,,,CHEMBL469117,,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1],O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1,0,AEVBKBAFFJKFJZ-UHFFFAOYSA-N,11659487.0,"cid is 11659487,compound_name is 6-[2-(3'-Methoxybiphenyl-3-Yl)ethyl]pyridin-2-Amine,cid_paras is 11659487,Molecular_Weight is 304.4,XLogP3 is 4.4,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 5,Exact_Mass is 304.157563266,Monoisotopic_Mass is 304.157563266,Topological_Polar_Surface_Area is 48.1,""Unit"":""Ų"",Heavy_Atom_Count is 23,Formal_Charge is 0,Complexity is 349,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL221170,,
+[O][Branch2][Ring1][=N][C][=Branch1][C][=O][C@@H1][NH2+1][C][C@][Branch1][Ring2][C][Ring1][Branch1][C][=C][Branch1][=Branch1][N][C][Ring1][=Branch1][=O][C][=C][C][=C][Ring1][=Branch2][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][#N],O(C(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1)C1(CCCCC1)C#N,0,VRCMTLQTPNLTIN-DNVCBOLYSA-O,,,,N#CC1(OC(=O)C2CC3(C[NH2+]2)C(=O)Nc2ccccc23)CCCCC1,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][=C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][N],Clc1cc2nc(n(c2cc1)CCCC(=O)N(C)C1CCCCC1)N,0,UIWHCBCBZBYNDS-UHFFFAOYSA-N,,,CHEMBL1221977,,227750.0
+[O][=C][Branch1][C][O-1][C@@H1][Branch2][Ring1][=Branch1][\NH1+1][=C][/N][C][Branch1][N][C][C][=C][\/Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C([O-])[C@@H](\[NH+]=C\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1,0,SKZOZLFDNIMQMW-KRWDZBQOSA-N,6947362.0,"cid is 6947362,compound_name is (2S)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-phenylpropanoate,cid_paras is 6947362,Molecular_Weight is 322.4,XLogP3 is 4.4,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 2,Rotatable_Bond_Count is 3,Exact_Mass is 322.168127949,Monoisotopic_Mass is 322.168127949,Topological_Polar_Surface_Area is 66.1,""Unit"":""Ų"",Heavy_Atom_Count is 24,Formal_Charge is 0,Complexity is 475,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 1,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,CC1(C)Cc2ccccc2C(=[NH+]C(Cc2ccccc2)C(=O)[O-])N1,
+[Br][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C@@][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Brc1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1,0,GCJNGEZDKLVQNN-CQSZACIVSA-N,,,CHEMBL2349610,CN1C(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N=C1N,382667.0
+[NH1+1][C][Branch1][#C][C][N][Branch1][#Branch1][C][C][C][N][=Ring1][=Branch1][C][=Ring1][=Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],[NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1,0,UFWSJOVQEPTPNE-UHFFFAOYSA-O,,,,NC1=[NH+]C(c2ccccc2)(c2ccccc2)C2=NCCCN21,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N],O(C)c1cc(cnc1)-c1cc(ccc1)CNc1cccnc1N,0,PGAWZMRRCVSRIM-UHFFFAOYSA-N,11500493.0,"cid is 11500493,compound_name is N~3~-[3-(5-Methoxypyridin-3-Yl)benzyl]pyridine-2,3-Diamine,cid_paras is 11500493,Molecular_Weight is 306.4,XLogP3 is 2.5,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 5,Exact_Mass is 306.14806121,Monoisotopic_Mass is 306.14806121,Topological_Polar_Surface_Area is 73.1,""Unit"":""Ų"",Heavy_Atom_Count is 23,Formal_Charge is 0,Complexity is 354,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL220396,,
+[S][C][C][C@@][Branch1][=Branch1][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],S1CC[C@@](N=C1N)(C)c1ccc(OC)cc1,0,VKHSIJFRPDEMHV-LBPRGKRZSA-N,12402626.0,"cid is 12402626,compound_name is 4-(4-Methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine,cid_paras is 12402626,Molecular_Weight is 236.34,XLogP3 is 2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 2,Exact_Mass is 236.09833431,Monoisotopic_Mass is 236.09833431,Topological_Polar_Surface_Area is 72.9,""Unit"":""Ų"",Heavy_Atom_Count is 16,Formal_Charge is 0,Complexity is 274,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL2365642,COc1ccc(C2(C)CCSC(N)=N2)cc1,382743.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][Branch1][=N][C@@][Branch1][Ring2][C][Ring1][#Branch1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N],O=C1N(C)C(=N[C@@](C1)(CCc1ccccc1)C)N,0,NHJCZSSEYRWDOJ-CQSZACIVSA-N,11630139.0,"cid is 11630139,compound_name is 2-amino-3,6-dimethyl-6-phenethyl-5,6-dihydropyrimidin-4(3H)-one,cid_paras is 11630139,Molecular_Weight is 245.32,XLogP3 is 1.1,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 2,Rotatable_Bond_Count is 3,Exact_Mass is 245.152812238,Monoisotopic_Mass is 245.152812238,Topological_Polar_Surface_Area is 58.7,""Unit"":""Ų"",Heavy_Atom_Count is 18,Formal_Charge is 0,Complexity is 347,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL3040447,,
+[O][=C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][#C][N][C@@][Ring2][Ring1][Branch1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=N],O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(N[C@@]1(CC(C)C)C)=N,0,VPGRKPRUHRVZER-OAQYLSRUSA-N,,,CHEMBL568967,CCCCNC(=O)NCc1ccc(CN2C(=N)NC(C)(CC(C)C)C2=O)cc1,202906.0
+[O][=C][N][C][=C][Branch1][#Branch1][C][=C][C][=C][Ring1][=Branch1][C@][Ring1][=Branch2][C][C@@H1][Branch1][Branch1][NH2+1][C][Ring1][Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=O],O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O,0,WDDNNMQSTPFSMZ-VQIMIIECSA-O,,,,O=C(OCc1ccccc1)C1CC2(C[NH2+]1)C(=O)Nc1ccccc12,
+[NH1][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1],[nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1,0,OSHSZKRWKLQZBV-UHFFFAOYSA-N,11586735.0,"cid is 11586735,compound_name is 6-[2-(1H-indol-6-yl)ethyl]pyridin-2-amine,cid_paras is 11586735,Molecular_Weight is 237.30,XLogP3 is 2.9,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 2,Rotatable_Bond_Count is 3,Exact_Mass is 237.126597491,Monoisotopic_Mass is 237.126597491,Topological_Polar_Surface_Area is 54.7,""Unit"":""Ų"",Heavy_Atom_Count is 18,Formal_Charge is 0,Complexity is 269,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL221118,,
+[O][C@@H1][C][O][C][C][C@@][Ring1][=Branch1][Branch1][=Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1,0,QBOAOWFKBWILHE-GDBMZVCRSA-N,,,,NC1=NC2(c3cccc(-c4cncnc4)c3)CCOCC2O1,
+[NH1+1][C@][Branch1][P][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],[NH+]=1[C@](N=C(c2ccccc2)C=1N)(C)c1cc(ccc1)-c1cccnc1,0,QCKWDUXMUOHHDA-OAQYLSRUSA-O,,,,CC1(c2cccc(-c3cccnc3)c2)N=C(c2ccccc2)C(N)=[NH+]1,
+[N][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][N],n1cccc(NCc2cc(ccc2)-c2cccnc2)c1N,0,NQSBHBFOOVYRNM-UHFFFAOYSA-N,11701820.0,"cid is 11701820,compound_name is N~3~-(3-Pyridin-3-Ylbenzyl)pyridine-2,3-Diamine,cid_paras is 11701820,Molecular_Weight is 276.34,XLogP3 is 2.5,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 4,Exact_Mass is 276.137496527,Monoisotopic_Mass is 276.137496527,Topological_Polar_Surface_Area is 63.8,""Unit"":""Ų"",Heavy_Atom_Count is 21,Formal_Charge is 0,Complexity is 309,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL220346,,
+[O][C][C][C][Branch2][Ring1][=C][O][C][=Branch1][C][=O][C@@H1][NH2+1][C][C@][Branch1][Ring2][C][Ring1][Branch1][C][=C][Branch1][=Branch1][N][C][Ring1][=Branch1][=O][C][=C][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch1],O1CCC(OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)CC1,0,HIOAPSYSJQPIRC-RHSMWYFYSA-O,,,,O=C(OC1CCOCC1)C1CC2(C[NH2+]1)C(=O)Nc1ccccc12,
+[O][=C][N][C][=Branch2][Ring1][#Branch1][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][C][NH1][C][=C][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][N],O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N,0,VRAZIAJSKFRSIP-UHFFFAOYSA-N,,,CHEMBL236777,,
+[Cl][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][C][S][C][=Branch1][C][=NH2+1][N],Clc1cc(ccc1OCCCC)CSC(=[NH2+])N,0,IONZMLSFEITLRK-UHFFFAOYSA-O,,,,CCCCOc1ccc(CSC(N)=[NH2+])cc1Cl,
+[O][C][=C][C][=C][Ring1][Branch1][C][N@H1+1][Branch2][Ring1][#Branch1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C],o1cccc1C[N@H+](Cc1cc(ccc1)CCc1cccnc1N)C,0,PGBSGPMEMSPFFE-UHFFFAOYSA-O,,,,C[NH+](Cc1cccc(CCc2cccnc2N)c1)Cc1ccco1,
+[N][=C][C][=C][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][N],n1cccc(NCc2ccccc2)c1N,0,MUKAGFLFIMVSQN-UHFFFAOYSA-N,10397869.0,"cid is 10397869,compound_name is N~3~-Benzylpyridine-2,3-Diamine,cid_paras is 10397869,Molecular_Weight is 199.25,XLogP3 is 2,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 3,Exact_Mass is 199.110947427,Monoisotopic_Mass is 199.110947427,Topological_Polar_Surface_Area is 50.9,""Unit"":""Ų"",Heavy_Atom_Count is 15,Formal_Charge is 0,Complexity is 178,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL435747,,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@][Branch1][=Branch1][N][C][Ring1][=Branch1][=N][Branch1][#Branch1][C][C][Branch1][C][C][C][C],Clc1cc(ccc1)CN1C(=O)[C@](NC1=N)(CC(C)C)C,0,SMHLWQCDIJPLEC-OAHLLOKOSA-N,,,CHEMBL566306,CC(C)CC1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O,
+[F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][C][NH2+1][C][C][Ring1][=Branch1],Fc1ccc(cc1)CC1CC[NH2+]CC1,0,JLAKCHGEEBPDQI-UHFFFAOYSA-O,,,,Fc1ccc(CC2CC[NH2+]CC2)cc1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][Branch1][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N,0,VTVXXFGROBMFAL-QWRGUYRKSA-N,,,CHEMBL2169926,,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][N][C][Ring1][=Branch1][=N][Branch1][C][C][C],Clc1cc(ccc1)CN1C(=O)C(NC1=N)(C)C,0,NFQQEWLVDJRZJJ-UHFFFAOYSA-N,,,CHEMBL572367,,
+[Cl][C][=C][C][N][=C][Branch1][#C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][O][N],Clc1cc2nc(n(c2cc1)CCCO)N,0,NSMVCZCLMLZSOB-UHFFFAOYSA-N,,,CHEMBL1221922,,227735.0
+[N][=C][C][=Branch1][S][=N][C][Branch1][C][N][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Ring1][#C],n1c2c(nc(N)c1N1CCCC1)cccc2,0,LWWDIFFPFOZSSB-UHFFFAOYSA-N,,,CHEMBL1232596,,228874.0
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N],Clc1cc(ccc1)CCc1cccnc1N,0,XJCJGDOLNLEZIY-UHFFFAOYSA-N,,,CHEMBL575232,,202949.0
+[N][=C][C][=C][C][Branch1][#Branch1][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#Branch2][N],n1ccc2c(cccc2)c1N,0,OSILBMSORKFRTB-UHFFFAOYSA-N,,,CHEMBL62083,,31180.0
+[N][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Ring1][#Branch2],n1c2c(ccc1N)cccc2,0,GCMNJUJAKQGROZ-UHFFFAOYSA-N,11379.0,This molecule is an aminoquinoline.,CHEMBL61236,,30464.0
+[O][C][C][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][C][C],O1CC[NH+](CC1)CC(O)COc1cc(ccc1C)C,0,HVMGGHDPXHODHE-UHFFFAOYSA-O,4744464.0,"cid is 4744464,compound_name is 1-(2,5-Dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol,cid_paras is 4744464,Molecular_Weight is 266.36,XLogP3 is 1.7,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 5,Exact_Mass is 266.17561863,Monoisotopic_Mass is 266.17561863,Topological_Polar_Surface_Area is 43.1,""Unit"":""Ų"",Heavy_Atom_Count is 19,Formal_Charge is 1,Complexity is 256,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,Cc1ccc(C)c(OCC(O)C[NH+]2CCOCC2)c1,
+[O][=C][N][C][=Branch1][O][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N],O=C1NC(=NC(=C1)CCC)N,0,FSYKBAWAYYELHH-UHFFFAOYSA-N,,,CHEMBL235825,,149231.0
+[O][C][Branch2][=Branch2][Branch1][C][Branch2][Branch2][O][N][C][=Branch1][C][=O][C][Branch2][#Branch1][N][N][C][=Branch1][C][=O][C][Branch2][=Branch1][=C][N][C][=Branch1][C][=O][C][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][NH3+1][C][C][C][=C][Branch1][Branch1][NH1][C][=Ring1][Branch1][C][=C][C][=C][Ring1][Branch2][C][C][C][=C][Branch1][Branch1][NH1][C][=Ring1][Branch1][C][=C][C][=C][Ring1][Branch2][C][O][C][C][C][=Branch1][C][=O][O-1][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C],OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2)CO)CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C)C,1,LGIDGBKHVLLCGG-UHFFFAOYSA-L,,,,CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CCC(=O)[O-])NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-],
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=Branch2][C][C][Branch2][Ring1][Ring1][N][C][Branch1][=C][O][C][N][N][=C][Branch1][=Branch1][C][=C][Ring1][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring1][C][Branch1][C][O][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C],S(=O)(=O)(CC(NC(OCn1nc(cc1C)C)=O)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCC(C)C)C)CC(C)C)C,1,OFAZWNGNAATRSH-UHFFFAOYSA-N,6540293.0,"cid is 6540293,compound_name is N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-Dimethyl-1H-pyrazol-1-YL)methoxy]carbonyl}-3-(methylsulfonyl)-L-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-N-isobutyl-L-valinamide,cid_paras is 6540293,Molecular_Weight is 658.9,XLogP3 is 2.9,Hydrogen_Bond_Donor_Count is 5,Hydrogen_Bond_Acceptor_Count is 9,Rotatable_Bond_Count is 19,Exact_Mass is 658.37238388,Monoisotopic_Mass is 658.37238388,Topological_Polar_Surface_Area is 206,""Unit"":""Ų"",Heavy_Atom_Count is 45,Formal_Charge is 0,Complexity is 1080,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 5,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,Cc1cc(C)n(COC(=O)NC(CS(C)(=O)=O)C(=O)NC(CC(C)C)C(O)CC(C)C(=O)NC(C(=O)NCC(C)C)C(C)C)n1,
+[O][C][Branch2][Branch1][Branch2][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][NH3+1][C][C][C][=Branch1][C][=O][O-1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][O-1][C][C][Branch1][C][C][C][C][C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C],OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C,1,CFIWWTUUSMMDDA-UHFFFAOYSA-K,,,,CC(C)CC(NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)NC(CC(C)C)C(O)CC(C)C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C(C)C,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)C(O)C1[NH2+]CC(Oc2ccccc2)C1,1,KYHYNSQLYDXSNK-UHFFFAOYSA-O,,,,COCC1CCCN1C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(Oc3ccccc3)C[NH2+]2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][C][N][C][C][Branch1][=Branch1][NH2+1][C][C][Ring1][=Branch1][C][Branch1][C][O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N1CC([NH2+]CC1)C(O)C(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)Cc1cc(F)cc(F)c1)c1cc(ccc1)C,1,CQQMWBPWYUPVOC-UHFFFAOYSA-O,,,,COCC1CCCN1C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CN(S(=O)(=O)c3cccc(C)c3)CC[NH2+]2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][P][N][Branch1][C][C][C][=C][C][=Branch2][=Branch1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,1,IEIHXPJWOSDLBU-UHFFFAOYSA-N,,,,COC(CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NC(C(=O)NCc1ccccc1)C(C)C,
+[O][C][Branch2][Branch1][#Branch1][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][NH3+1][C][C][C][=Branch1][C][=O][O-1][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C],OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C)C,1,NIOCOJFPGCXNKL-UHFFFAOYSA-L,,,,CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-],
+[S][C][=C][Branch2][Ring2][=Branch2][C][=C][Ring1][Branch1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C][N][Branch1][Ring2][C][Ring1][N][C][=N][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N],s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1nc(OC)ccc1)-c1cc(ccc1)C#N,1,DHDYCYIAHXOSEU-UHFFFAOYSA-N,,,,COc1cccc(N2CC3C(=O)N(C)C(N)=NC3(c3cc(-c4cccc(C#N)c4)cs3)C2)n1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][Ring1][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][C][C][Branch1][C][O][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NC(C)C)C)CC(C)C)C(=O)NC(C)c1ccccc1)C,1,BJOCXJJVELLFKM-UHFFFAOYSA-N,,,,CC(C)CC(NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(O)CC(C)C(=O)NC(C(=O)NC(C)C)C(C)C,
+[Cl][C][C][=C][Branch2][Ring1][=Branch2][S][C][=Ring1][Branch1][C][Branch1][P][N][C][=Branch1][C][=NH2+1][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#C][C],Clc1cc(sc1C1(NC(=[NH2+])N(C)C(=O)C1)C)-c1cc(cnc1)C#CC,1,IJYPXSRDUPWKPB-UHFFFAOYSA-O,,,,CC#Cc1cncc(-c2cc(Cl)c(C3(C)CC(=O)N(C)C(=[NH2+])N3)s2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][#Branch1][N][Branch1][C][C][C][=C][C][=Branch2][Ring2][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)NC(C)c1ccccc1)C,1,HIQWWDCRULXYDF-UHFFFAOYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2ccccc2)NC(=O)c2cc(C(=O)NC(C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1,
+[S][C][=C][Branch2][Ring2][=Branch2][C][=C][Ring1][Branch1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C][N][Branch1][Ring2][C][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N],s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)C(=O)c1ccccc1)-c1cc(ccc1)C#N,1,POOXGNGZUXTIQE-UHFFFAOYSA-N,15948019.0,"cid is 15948019,compound_name is 3-[5-[(7aR)-2-amino-6-benzoyl-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile,cid_paras is 15948019,Molecular_Weight is 455.5,XLogP3 is 2.1,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 3,Exact_Mass is 455.14159610,Monoisotopic_Mass is 455.14159610,Topological_Polar_Surface_Area is 131,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 877,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 1,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,CN1C(=O)C2CN(C(=O)c3ccccc3)CC2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,
+[S][C][=C][Branch2][Ring2][#Branch1][C][=C][Ring1][Branch1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C][N][Branch1][Ring2][C][Ring1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N],s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N,1,OVZBZLASXPSCEA-UHFFFAOYSA-N,15948371.0,"cid is 15948371,compound_name is 3-[5-[(7aR)-2-amino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile,cid_paras is 15948371,Molecular_Weight is 458.5,XLogP3 is 2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 7,Rotatable_Bond_Count is 4,Exact_Mass is 458.15249514,Monoisotopic_Mass is 458.15249514,Topological_Polar_Surface_Area is 136,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 844,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 1,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,COc1cccnc1N1CC2C(=O)N(C)C(N)=NC2(c2cc(-c3cccc(C#N)c3)cs2)C1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch2][Ring2][N][Branch1][C][C][C][=C][C][=Branch2][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch2][C][Branch1][C][O][C][C][Branch1][=Branch1][O][C][C][O][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,1,RSTFVOGBJGGSOD-UHFFFAOYSA-N,,,,COCCOC(CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NC(C(=O)NCc1ccccc1)C(C)C,
+[O][=C][N][Branch1][C][C][C][=Branch1][C][=NH2+1][N][C][Ring1][#Branch1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#C][C],O=C1N(C)C(=[NH2+])NC1(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC,1,HORHMTMHXZJNQJ-UHFFFAOYSA-O,,,,CC#Cc1cncc(-c2cccc(C3(C4CC4)NC(=[NH2+])N(C)C3=O)c2)c1,
+[S][C][=C][Branch2][Ring2][#Branch1][C][=C][Ring1][Branch1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C][N][Branch1][Ring2][C][Ring1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N],s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1C#N)-c1cc(ccc1)C#N,1,LWVMTILRDSZVMA-UHFFFAOYSA-N,,,,CN1C(=O)C2CN(c3ncccc3C#N)CC2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,
+[O][=C][Branch2][Ring2][=Branch2][C][=C][C][C][N][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][O][=NH1+1][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(c1cc2CN(CCC(=O)N(C)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1,1,KTRFBFMYAJOXLG-UHFFFAOYSA-O,,,,CN(C(=O)CCN1Cc2cc(C(=O)c3ccccc3)ccc2[NH+]=C1N)C1CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][=N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][C][O][C][NH2+1][C][C][C][O][C][C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C,1,LMEDJLLRHRUTJN-UHFFFAOYSA-O,,,,CCn1cc2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)(O)C[NH2+]C4CCOCC4)cc31)N(C)S(=O)(=O)CC2,
+[Cl][C][=C][C][=Branch1][#C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][\C][=Branch2][Ring1][N][=N][/C][=Branch1][C][=O][C][C][=Branch1][#Branch1][=N][S][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][\N],Clc1cc(cc(C)c1NC(=O)C)CN\C(=N/C(=O)c1c(nsc1C)-c1ccc(OC)cc1)\N,1,MQPJKTGBSCCWTI-UHFFFAOYSA-N,11983210.0,"cid is 11983210,compound_name is N-{n-[4-(Acetylamino)-3-Chloro-5-Methylbenzyl]carbamimidoyl}-3-(4-Methoxyphenyl)-5-Methyl-1,2-Thiazole-4-Carboxamide,cid_paras is 11983210,Molecular_Weight is 486.0,XLogP3 is 4,Hydrogen_Bond_Donor_Count is 3,Hydrogen_Bond_Acceptor_Count is 6,Rotatable_Bond_Count is 7,Exact_Mass is 485.1288385,Monoisotopic_Mass is 485.1288385,Topological_Polar_Surface_Area is 147,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 718,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL2178181,,366744.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring2][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][Branch1][=Branch1][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C[NH2+]C(C(O)C)C(=O)NCC(C)C)C(=O)NC(C)c1ccccc1)C,1,UZFAOTIMARRSKT-UHFFFAOYSA-O,,,,CC(C)CNC(=O)C([NH2+]CC(Cc1ccccc1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(C)O,
+[O][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Ring2][Ring1][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][Branch1][C][O][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][C][C][C],O1CCCCCCNC(=O)CC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)CC(C)C,1,QJAPFAZHNSZLJE-UHFFFAOYSA-N,,,,CC(C)CC(NC(=O)C1CC(=O)NCCCCCCOC(=O)NC(C(C)C)C(=O)N1)C(O)CC(C)C(=O)NC(C(=O)NCc1ccccc1)C(C)C,
+[F][C][=C][C][=C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring2][#C][C][C][Branch1][C][NH3+1][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring2][Branch2],Fc1ccc(NC(=O)C(CC([NH3+])C(NC(=O)c2cc(ccc2)C(=O)N(CCC)CCC)Cc2ccccc2)C)cc1,1,PZHFCAIXAVDQAK-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cccc(C(=O)NC(Cc2ccccc2)C([NH3+])CC(C)C(=O)Nc2ccc(F)cc2)c1,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][NH1+1][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][F],Fc1c2c(ccc1)C([NH+]=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)F,1,MRXBCEQZNKUUIP-UHFFFAOYSA-O,,,,NC1=[NH+]C(c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21,
+[Cl][C][=C][C][=Branch1][#Branch2][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][N][\C][=Branch2][Ring1][N][=N][/C][=Branch1][C][=O][C][C][=Branch1][#Branch1][=N][S][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][\N],Clc1cc(cc(Cl)c1N)CN\C(=N/C(=O)c1c(nsc1C)-c1ccc(OC)cc1)\N,1,DPJQBOWFYJTIJB-UHFFFAOYSA-N,,,CHEMBL2178178,,366741.0
+[S][C][=C][Branch2][Ring1][=Branch2][C][=C][Ring1][Branch1][C][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N],s1cc(cc1C1(N=C(N)N(C)C(=O)C1)C)-c1cc(ccc1)C#N,1,MLNWGLXMDFUREO-UHFFFAOYSA-N,11631207.0,"cid is 11631207,compound_name is 3-{5-[(2e,4s)-2-Imino-1,4-Dimethyl-6-Oxohexahydropyrimidin-4-Yl]thiophen-3-Yl}benzonitrile,cid_paras is 11631207,Molecular_Weight is 324.4,XLogP3 is 1.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 2,Exact_Mass is 324.10448232,Monoisotopic_Mass is 324.10448232,Topological_Polar_Surface_Area is 111,""Unit"":""Ų"",Heavy_Atom_Count is 23,Formal_Charge is 0,Complexity is 568,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 1,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,CN1C(=O)CC(C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][C][=Branch1][C][=NH2+1][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][Ring1][Ring1],Clc1cc(cnc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)C1CC1,1,SZDQNTKTWBPIBH-UHFFFAOYSA-O,,,,CN1C(=[NH2+])NC(c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)C1=O,
+[S][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][Branch1][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][F][C][=C][Ring1][=Branch2][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C][N][Branch1][Ring2][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],s1c(ccc1-c1cc(C#N)c(F)cc1)C12N=C(N)N(C)C(=O)C1CN(C2)c1ccccc1,1,DWVJKKOFIHHAKC-UHFFFAOYSA-N,15948139.0,"cid is 15948139,compound_name is 5-[5-(2-amino-3-methyl-4-oxo-6-phenyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl]-2-fluorobenzonitrile,cid_paras is 15948139,Molecular_Weight is 445.5,XLogP3 is 2.9,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 6,Rotatable_Bond_Count is 3,Exact_Mass is 445.13725961,Monoisotopic_Mass is 445.13725961,Topological_Polar_Surface_Area is 114,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 823,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 2,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,CN1C(=O)C2CN(c3ccccc3)CC2(c2ccc(-c3ccc(F)c(C#N)c3)s2)N=C1N,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][C][=Branch1][C][=NH2+1][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1,1,LRYKHTDVFXMHEH-UHFFFAOYSA-O,,,,COc1cccc(-c2cccc(C3(c4ccccc4)NC(=[NH2+])N(C)C3=O)c2)c1,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C],O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C,1,LQOCXPOKEPYGTJ-UHFFFAOYSA-N,11594966.0,"cid is 11594966,compound_name is 2-Amino-6-(3'-methoxy-biphenyl-3-yl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one,cid_paras is 11594966,Molecular_Weight is 323.4,XLogP3 is 2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 3,Exact_Mass is 323.16337692,Monoisotopic_Mass is 323.16337692,Topological_Polar_Surface_Area is 67.9,""Unit"":""Ų"",Heavy_Atom_Count is 24,Formal_Charge is 0,Complexity is 507,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL392662,,150226.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][C][C][Branch1][=Branch1][N][C][Ring1][Branch1][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2],O(C)c1cc(ccc1)CN1CC(NC1=O)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(N(C)C)ccc1,1,MCBWJRZWLSXSBN-UHFFFAOYSA-O,,,,COc1cccc(CN2CC(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]Cc3cccc(N(C)C)c3)NC2=O)c1,
+[O][=C][N][Branch1][C][C][C][=Branch1][C][=NH2+1][N][C][Ring1][#Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1,1,PNSQCPQDRVOKMA-UHFFFAOYSA-O,,,,CN1C(=[NH2+])NC(c2ccccc2)(c2cccc(-c3cccnc3)c2)C1=O,
+[O][Branch2][Branch1][Branch1][C][=C][C][C][N][Branch2][Ring1][#C][C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][O][=NH1+1][C][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1],O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1,1,JKQCQYBXDQPJNC-UHFFFAOYSA-O,,,,CN(C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2[NH+]=C1N)C1CCCCC1,
+[O][=C][N][Branch1][C][C][C][=Branch1][C][=NH2+1][N][C][Ring1][#Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C1N(C)C(=[NH2+])NC1(c1ccccc1)c1ccccc1,1,RNWLAFWLSSMCLN-UHFFFAOYSA-O,,,,CN1C(=[NH2+])NC(c2ccccc2)(c2ccccc2)C1=O,
+[O][=C][N][C][Branch1][=C][C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2],O=C1NC(CN1Cc1ccccc1)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(N(C)C)ccc1,1,DCJGHBWTJFHQCR-UHFFFAOYSA-O,,,,CN(C)c1cccc(C[NH2+]CC(O)C(Cc2ccccc2)NC(=O)C2(Cc3ccccc3)CN(Cc3ccccc3)C(=O)N2)c1,
+[N][=C][C][Branch2][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][=Branch1][N],n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N,1,IFUYBWIZKMAADM-UHFFFAOYSA-N,,,CHEMBL1821808,,333146.0
+[O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Ring1][=Branch2],O=C(NCC1CCCCC1)CCc1cc2c(nc1N)cccc2,1,YOUIXYWUUXULRM-UHFFFAOYSA-N,,,CHEMBL1821813,,333151.0
+[O][=C][Branch1][=N][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Ring1][=Branch2],O=C(N(C)C1CCCCC1)CCc1cc2c(nc1N)cccc2,1,GRFOHUBBUMAJMM-UHFFFAOYSA-N,,,CHEMBL1821809,,333147.0
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][O],s1cc(cc1)-c1cc2c(nc(N)cc2)cc1,1,SKHMHSCEONTQTF-UHFFFAOYSA-N,,,CHEMBL1821801,,333139.0
+[Cl][C][=C][C][Branch2][Ring2][Branch2][C][NH1+1][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Ring1][#Branch2][C][C][C][Ring2][Ring1][=Branch1][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1],Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1,1,IWMCULWPLNDDNK-UHFFFAOYSA-O,,,,COc1cc(Cl)cc(C[NH+]2CCC(NC(=O)COc3ccc(S(N)(=O)=O)cc3C)CC2)c1OC(C)C,
+[Cl][C][=C][C][Branch2][Ring2][#Branch1][C][NH1+1][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][C],Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1,1,QVZLZLJHCAPQQC-UHFFFAOYSA-O,,,,COc1cc(Cl)cc(C[NH+]2CCC(NC(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)c1OC(C)C,
+[O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][C][NH3+1],Oc1ccc(cc1C1CCCCC1)CC[NH3+],1,DOCCSEDGBYCYLS-UHFFFAOYSA-O,,,,[NH3+]CCc1ccc(O)c(C2CCCCC2)c1,
+[O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][C][C][C][NH3+1],Oc1ccc(cc1CC)CC[NH3+],1,LDAFQVRTSOETPE-UHFFFAOYSA-O,,,,CCc1cc(CC[NH3+])ccc1O,
+[O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][C][NH3+1][C],Oc1ccc(cc1)CC([NH3+])C,1,GIKNHHRFLCDOEU-UHFFFAOYSA-O,,,,CC([NH3+])Cc1ccc(O)cc1,
+[O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][NH3+1],Oc1ccc(cc1)CC[NH3+],1,DZGWFCGJZKJUFP-UHFFFAOYSA-O,5249538.0,This molecule is an ammonium ion that is the conjugate acid of tyramine; major species at pH 7.3. It has a role as a neurotransmitter and a human metabolite. It is a monoamine molecular messenger and an ammonium ion derivative. It is a conjugate acid of a tyramine.,,[NH3+]CCc1ccc(O)cc1,
+[O][=C][Branch1][N][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1,AHRZKIYTKFDQGC-UHFFFAOYSA-N,,,,Cc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCCC(C)(C)C)cc2c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][C][O][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1,1,LAMCTYMUFVYFER-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(O)C[NH2+]2)C1=O,
+[F][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,SAHAOYKXDZOYLC-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(C)c(F)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,ZJIPAWSHYBXAKX-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cccc(F)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][Ring2][=N][\O][C][/C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\OC)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1,HTDGFRNLFBYUEO-LMOHNTGSSA-O,,,,CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(C(C)=NOC)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Branch1][C][N][C][C][C][C][O][C][=C][C][Branch2][Ring1][S][C][C][Branch1][=Branch1][N][C][Ring1][S][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][=Branch2][=C][Ring2][Ring2][Branch1][C][C][C],S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC,1,HWLAFZXKYIUVHI-UHFFFAOYSA-O,,,,CCCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)NC(C(O)C[NH2+]Cc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2,
+[O][C][C][C][C][O][C][=C][C][Branch2][Branch1][N][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][C][Ring2][Ring1][=Branch2][=C][Ring1][N][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring2][#Branch1],O1CCCCOc2cc(CC(NC(=O)c3cc(N4CCCC4=O)cc1c3)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)ccc2,1,UPWNAHZYMBYMAH-UHFFFAOYSA-O,,,,CC(C)c1cccc(C2([NH2+]CC(O)C3Cc4cccc(c4)OCCCCOc4cc(cc(N5CCCC5=O)c4)C(=O)N3)CC2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cccnc2)C1,1,DBYZUQAQFHNTAT-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(OCc3cccnc3)C[NH2+]2)C1=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][O][O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2ncccc2)C1,1,JUNJDMWAWDTTAA-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(OCc3ccccn3)C[NH2+]2)C1=O,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,JBBUENLSUWMDMI-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cc(F)cc(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][#Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][#C][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1cc(cc(c1)C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,QSNMNIQIQWYQGN-UHFFFAOYSA-O,,,,C#Cc1cc(F)cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)c1,
+[F][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][F][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1cc(ccc1F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,KVLZAJQNNNTHPD-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(F)c(F)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,ZCBJNEMWWSYHRK-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(C(C)O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Branch2][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Branch1][Branch2][N][C][C][C][C][O][C][=C][C][Branch2][Ring2][=Branch1][C][C][Branch1][=Branch1][N][C][Ring1][S][=O][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][O][=C][Ring2][Ring2][#Branch1][C][C][C],S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]C2(CC2)c2cc(ccc2)C(C)C)ccc3)c1)CCC,1,YTELHZGITUPWIN-UHFFFAOYSA-O,,,,CCCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)NC(C(O)C[NH2+]C1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Branch2],S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,XUPJXTGHHHIDNH-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C@H1][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][#Branch1],S1(=O)(=O)CC(Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,OJCPUZZPOIXSSB-SNLUAVSYSA-O,,,,COCC(Oc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][C][C][C][C][Ring2][Ring2][Branch2],S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1,1,IWBWMEKXFWHGKV-UHFFFAOYSA-O,,,,CC(C)(O)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch2][Ring1][=Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][O][Branch1][C][C][C][C][Ring2][Ring2][=Branch2],S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1,1,RUMOYGYSWPCFLL-UHFFFAOYSA-O,,,,CC(C)(CO)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)C2O)c1,
+[F][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ccc(cc1OC(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,PIKUTRPQMRVSAL-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(F)c(OC(F)(F)F)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],FC(F)(F)c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,FYUUNYNZWADHLV-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cccc(C(F)(F)F)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ccc(cc1C#N)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,YRBNTISLTUJTJI-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(F)c(C#N)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][=Ring1][Branch2][C][C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C],Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(NC(=O)c2ncccc2)ccc1,1,INMBAMPBZMFHBC-UHFFFAOYSA-N,,,,CCn1cc(C2(c3cccc(NC(=O)c4ccccn4)c3)N=C(N)c3c(F)cccc32)cc(C)c1=O,
+[O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1,MQOILMOKFLJWRN-UHFFFAOYSA-N,,,CHEMBL1821814,,333152.0
+[O][C][=C][Branch1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Branch2][Branch1][#Branch1][NH2+1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][C][C][=C][C][Branch1][Branch1][C][Ring2][Ring1][#Branch1][=C][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][#Branch1][C][C][Ring2][Ring2][O][C][C][C][Ring1][Ring2],O1c2c(cc(cc2)CC)C([NH2+]CC(O)C2NC(=O)C=3C=C(N4CCCC4)C(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2,1,NNIPUJZFEKQESE-UHFFFAOYSA-O,,,,CCc1ccc2c(c1)C([NH2+]CC(O)C1Cc3cccc(c3)CCCCn3cc(cc(N4CCCC4)c3=O)C(=O)N1)CC1(CCC1)O2,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][=Branch1][N][=C][Ring1][=Branch2][N][Branch2][Ring1][Ring1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][=Ring1][Branch2][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#C][C],Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC,1,MAXMBSSGZYMDKT-UHFFFAOYSA-N,,,,CC#Cc1cncc(-c2cccc(C3(c4cc(C)c(=O)n(CC)c4)N=C(N)c4c(F)cc(F)cc43)c2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1,NIJRXGKMRCWJPW-UHFFFAOYSA-O,,,,CCCOC1C[NH2+]C(C(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(CCc2ccccc2)N2CCC(NC(C)=O)(C(C)CC)C2=O)C1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2ccccc2)C1,1,PVYCGZPNCKAIJN-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(Oc3ccccc3)C[NH2+]2)C1=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][#Branch2][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2ncccc2)C1,1,KJMWIIZCJOFKRK-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(Oc3ccccn3)C[NH2+]2)C1=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch2][Ring1][Branch1][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][P],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C(F)(F)F)C1,1,FAJUKEHUTZFPSJ-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(OCc3cccc(C(F)(F)F)c3)C[NH2+]2)C1=O,
+[O][C][=N][C][=C][Branch2][Branch1][N][C][=C][Ring1][=Branch1][C][Branch2][Ring2][#Branch2][NH2+1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][P][C][C][C][C][=C][C][Branch1][Ring2][C][Ring1][P][=C][C][=C][Ring1][#Branch1][C][=Ring1][P][C][C][Ring2][Ring2][Ring1][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C2NC(=O)C=3C=CC(=O)N(CCCc4cc(C2)ccc4)C=3)CC12CCC2)CC(C)(C)C,1,LKMMYWNVZOCACV-UHFFFAOYSA-O,,,,CC(C)(C)Cc1cnc2c(c1)C([NH2+]CC(O)C1Cc3cccc(c3)CCCn3cc(ccc3=O)C(=O)N1)CC1(CCC1)O2,
+[F][C][=C][C][=C][Branch2][Branch1][Branch2][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S][C][#C],Fc1ccc(cc1CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C#C,1,GSNQLUPJBZVXTJ-UHFFFAOYSA-O,,,,C#Cc1ccc(F)c(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][Ring1][=N][\O][/C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\O)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1,YQQDWRLQYHCVKI-PQKVGRGHSA-O,,,,CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(C(C)=NO)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][P][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C,1,BFPPEQNMYUIWBA-MQNHUJCZSA-O,,,,CCn1cc2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]CCC(F)(F)F)cc31)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=Branch1][N][Branch2][Branch1][#Branch2][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C,1,JKURHCLTNUAEBX-UHFFFAOYSA-O,,,,CCOc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][#C][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N][C][Ring1][#C],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C#N)C1,1,WHJDHEFEUPUHMG-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(OCc3cccc(C#N)c3)C[NH2+]2)C1=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][#C][C][C][=C][C][Branch1][=C][O][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][#C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Branch1],S1(=O)(=O)CC(Cc2cc(O[C@@H](C(F)(F)F)C)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,ULGBCGLZQYCGRH-UITWYIRLSA-O,,,,CC(Oc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][P][N][Branch1][C][C][C][=C][C][=Branch2][=Branch1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][Branch1][C][O][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,1,YSJJYNYCVZLWDI-UHFFFAOYSA-N,,,,CC(CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NC(C(=O)NCc1ccccc1)C(C)C,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)CC(NC(=O)C(O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,AYUUSOCQIYXYAL-UHFFFAOYSA-O,,,,CC(O)C(=O)NC(Cc1cccc(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Ring2][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][Branch1][C][\C][=C][\C][O][C][C][Branch1][=Branch1][N][C][Ring1][P][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\C=C\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C,1,XYJDOUBLYLOJJL-JOSZLSLZSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C2COCC=CCC(c3ccccc3)NC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1,
+[O][C][=N][C][=C][Branch2][Ring2][P][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][Ring2][Ring1][=C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)C#C)CC12CCC2)CC(C)(C)C,1,NVMABPBDYKXNKD-UHFFFAOYSA-O,,,,C#Cc1cccc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)c1,
+[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ccccc1CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,ZAJKCLUZHUAIIX-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccccc1F)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1cc(ccc1OC)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,RSABACCPSRMLRM-UHFFFAOYSA-O,,,,COc1ccc(CC(NC(C)=O)C(O)C[NH2+]C2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)cc1F,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][N][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][P][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][Branch1][C][O][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1ccccc1)C(=O)NC(C)c1ccccc1)C,1,VNMYCPDLSFADGH-UHFFFAOYSA-N,,,,CC(CC(O)C(COCc1ccccc1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NC(C(=O)NCc1ccccc1)C(C)C,
+[F][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#C][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ccc(cc1C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,XMDOGYLRIDFOSQ-UHFFFAOYSA-O,,,,C#Cc1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)ccc1F,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,CATNTJQWQKGLJS-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cccc(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,NHIPWBOQIBZBNP-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(F)c(C)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,FRLLLZWDYQZXST-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(C(C)=O)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][O][N][Branch2][Branch1][#C][C][=C][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C1CCCC1)c1ccccc1)C,1,HGSCTPUCDDAAQZ-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(C2CCCC2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][=Branch1][C][C][=C][C][Branch2][Ring1][Ring1][O][C@H1][Branch1][#Branch1][C][O][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][Ring2][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][#Branch2],S1(=O)(=O)CC(Cc2cc(O[C@H](COCCOC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,UFTQHVSGRKPXMV-JNOLYCNWSA-O,,,,COCCOCC(Oc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,JVNKLECJDZSZDR-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cccc(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1][O][C],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC,1,PBXQNTXVQOUXNO-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3cccc(OC)c3C[NH2+]2)C1=O,
+[F][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ccc(cc1OC)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,DTZPIFYDDLMENC-UHFFFAOYSA-O,,,,COc1cc(CC(NC(C)=O)C(O)C[NH2+]C2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)ccc1F,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][Branch1][C][O][C][C][C][C][Ring1][#Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1,XXIRTBPDSKEUAH-UHFFFAOYSA-O,,,,CCCOC1C[NH2+]C(C(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(CCc2ccccc2)N2CCC(C(O)CCC)C2=O)C1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][#Branch2][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][O][C][C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C,1,OSAYNAICIRJYGY-UHFFFAOYSA-O,,,,CCn1cc2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CCOCC4)cc31)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][#Branch2][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#C][C@H1][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)CNc1ccccc1)Cc1ccccc1)C,1,VVGUAFLWFRBLLM-MPSNESSQSA-N,11753622.0,"cid is 11753622,compound_name is N-[(2S,3R)-4-anilino-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10,10-dioxo-10lambda6-thia-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-6-carboxamide,cid_paras is 11753622,Molecular_Weight is 546.7,XLogP3 is 4.4,Hydrogen_Bond_Donor_Count is 3,Hydrogen_Bond_Acceptor_Count is 6,Rotatable_Bond_Count is 9,Exact_Mass is 546.23007675,Monoisotopic_Mass is 546.23007675,Topological_Polar_Surface_Area is 112,""Unit"":""Ų"",Heavy_Atom_Count is 39,Formal_Charge is 0,Complexity is 914,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 2,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,CCn1cc2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)CNc4ccccc4)cc31)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][#C][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C,1,WICLUVROROXQTO-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C(C)(C)CCCC(C)C)cc13)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch2][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C@H1][Branch1][C][O][C][NH2+1][C][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC,1,VHIKANGIVZQCPI-XTEPFMGCSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CCOCC4)cc13)N(CC)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=Branch2][N][Branch2][Branch1][=N][C][=C][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C,1,IZGCSYKADOJJHC-UHFFFAOYSA-O,,,,CC(C)c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1,
+[O][C][=N][C][=C][Branch2][Ring2][O][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C,1,VTQUDYRMABZDOU-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][Branch1][C][O][C][C][C][C][Ring1][#Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1,ZRBJRIFNTXBCRI-UHFFFAOYSA-O,,,,CCCC(O)C1CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)C1=O,
+[S][C][=N][C][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1cncc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,QQEJGTCLITVFBA-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cccc(-c2cncs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[O][C][=N][C][=C][Branch2][Branch1][C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][S][NH2+1][C][C][Branch1][C][O][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][#C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C,1,VNRFICGTYGICPO-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1ccc2c(c1)OCO2)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][Branch1][P][N][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1,HXZAKSZKAREBFC-UHFFFAOYSA-O,,,,CCCOC1C[NH2+]C(C(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(CCc2ccccc2)N2CCC(CC(C)C)C2=O)C1,
+[S][C][=C][Branch2][=Branch1][C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S][C],s1cc(nc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C,1,IBQBCHBBSWVJOQ-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cccc(-c2nc(C)cs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch2][N][C][=Branch1][C][=O][C][O][C][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,XLZMPDBDSOQRLV-UHFFFAOYSA-O,,,,CCOCC(=O)NC(Cc1cccc(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[O][C][=N][C][=C][Branch2][Ring2][O][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)(C)C,1,PSUGQZDSIJNGJX-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2cccnc2)C1,1,MOVPTFOREGYDPM-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(Oc3cccnc3)C[NH2+]2)C1=O,
+[O][C][=C][Branch1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Branch2][Branch1][Branch2][NH2+1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][C][C][=C][C][Branch1][Branch1][C][Ring2][Ring1][Branch2][=C][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][Branch2][C][C][Ring2][Ring2][N][C][C][C][Ring1][Ring2],O1c2c(cc(cc2)CC)C([NH2+]CC(O)C2NC(=O)C=3C=C(c4ncccc4)C(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2,1,DSMMKQOEZAECLV-UHFFFAOYSA-O,,,,CCc1ccc2c(c1)C([NH2+]CC(O)C1Cc3cccc(c3)CCCCn3cc(cc(-c4ccccn4)c3=O)C(=O)N1)CC1(CCC1)O2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=N][N][Branch2][Branch1][P][C][=C][C][=Branch1][P][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch1][=N][\O][C][C][C][/C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(c1)/C(=N\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1,XBWLJTOPNFHUQX-QGDSFYADSA-O,,,,CCCON=C(C)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][S][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1,1,LQKSXPXJHUCHMO-XZWHSSHBSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][O][N][Branch2][Branch1][#C][C][=C][C][=Branch1][S][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(N2CCCC2=O)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C,1,OCHDDAGWDCOFQM-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)CC(Cc2cc(OCC(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,OKTQFOQHXKETNN-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OCC(F)F)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][N][C][C][=C][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring2],S1(=O)(=O)CC(Cc2cc(OCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,YRHFGCZZOFVMRB-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OCC(F)(F)F)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch2][Ring1][=Branch1][NH2+1][C][C][=C][C][=C][Branch1][#Branch2][C][O][C][Ring1][Branch1][Branch1][C][C][C][C][=C][Ring1][O][C][Ring2][Ring2][=Branch2],S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc3c(COC3(C)C)cc2)C1,1,OZOLBCYZUXLXMZ-UHFFFAOYSA-O,,,,CC1(C)OCc2ccc(C[NH2+]C3CS(=O)(=O)CC(Cc4cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c4)C3O)cc21,
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][=Branch2][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][=Branch1][O][C][C][#C][C][N][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N,1,RULHZYOVKRJKJG-UHFFFAOYSA-N,,,,CC#CCOc1cnc(C(=O)Nc2ccc(F)c(C3(C)N=C(N)OCC3(F)F)c2)cn1,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][=Ring1][Branch2][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][C][Ring1][Ring1],Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)C)c1cc(ccc1)C#CC1CC1,1,SXUHCBCRIQDANC-UHFFFAOYSA-N,,,,Cc1cc(C2(c3cccc(C#CC4CC4)c3)N=C(N)c3c(F)cccc32)cn(C)c1=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1,RCAZOLSIRITUKZ-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)C1=O,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][F][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1F)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,XSFWBOOLWAKDFI-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1ccc(F)c(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][O][C][C][C][Ring1][Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,DZIXUQJNRCUJQW-UHFFFAOYSA-O,,,,CC(C)(C)Cc1cnc2c(c1)C([NH2+]CC(O)C(Cc1cccc(-c3nccs3)c1)NC(=O)C1CCCO1)CC1(CCC1)O2,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#C][C][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][F],Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(cnc1)C#CC)c1cc(ncc1)C(F)F,1,JHBVXZXFCJIAJZ-UHFFFAOYSA-N,,,CHEMBL2177915,,366657.0
+[F][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1cc(F)ccc1CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,AAHFBZODUHKGBC-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(F)cc1F)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,ZZIYYUNIVIIWAU-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][C][=C][Branch1][Branch1][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1cc(nc1)-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,PRYJXFKQLNPQBU-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cccc(-c2cscn2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][#Branch2][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Branch1][C][F][Branch1][C][F][F][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C,1,JBSIWTPPHNMPRR-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]CCC(F)(F)F)cc13)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch2][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][C][C][C][Ring1][=Branch1][C][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCCCC1)CC,1,XBSGWVTXAJRWKB-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CCCCC4)cc13)N(CC)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#C][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][C][=Branch1][Branch1][=C][N][=Ring1][Branch1][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cn1)C([NH3+])(Cc1ccccc1)C)C,1,XWKZFPZEUSXHQE-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(-c2ncc(C(C)([NH3+])Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=N][O][C][=Branch1][Ring2][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Branch2],S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1,1,JMAIWRCWOGUIRQ-UHFFFAOYSA-O,,,,CC(C)(C)Cc1cc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)C2O)no1,
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][S][C][C][=C][C][Branch1][#C][O][C][Branch1][Ring1][C][O][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][S][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Branch1],S1(=O)CC(Cc2cc(OC(CO)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,KVJZSBQIJYQMHT-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)CC(Cc3cc(F)c(N)c(OC(CO)C(F)(F)F)c3)C2O)c1,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][N][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][O][C][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@@H](OC)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,IUSARDYWEPUTPN-NQNZPQBESA-O,,,,COC(C)C(=O)NC(Cc1cccc(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring1][N][Branch1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][=C][C][=C][Ring1][S][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1,1,YJXNAXWMNFQFHR-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=N][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][P][C][O][C][\C][=C][/C][C][N][Branch1][C][C][C][Ring2][Ring1][C][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1,JHWZSJJIDCNNBH-VURMDHGXSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C2COCC=CCCN(C)C(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1,
+[S][Branch2][=Branch1][Branch1][O][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][#C][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch2][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=Branch1][C][=O][=O],S1(Oc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)(=O)=O,1,FYARDFZESROLIJ-SSYAZFEXSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]Cc4cccc(C(F)(F)F)c4)cc13)OS(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch1][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C@H1][Branch1][C][O][C][NH2+1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C,1,QKUYWGQZOKYCIF-WIOPSUGQSA-O,,,,CCC[NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cc2c3c(cn(CC)c3c1)CCS(=O)(=O)N2C,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][N][C][=C][C][=Branch2][Ring1][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)C,1,BIFXFADRRVXKMW-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]Cc4cccc(OC)c4)cc13)N(C)S(=O)(=O)C2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Ring1][N][Branch2][Branch1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(ccc1)C#N)C,1,KHMCHMYWEFEWGH-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N(c2cccc(C#N)c2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][Ring1][C][C][=C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][F][=C][Ring1][=N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)CC(Cc2cc(CC)c(NC(=O)C)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,MJXQUEMDNFSOMU-UHFFFAOYSA-O,,,,CCc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1NC(C)=O,
+[O][C][=N][C][=C][Branch2][Ring2][S][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][=N][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C,1,KHOYMTLYNVQONU-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc2c(c1)OCO2)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][#Branch1][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][C][C][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N,1,CRGYAUNBGVFARQ-UHFFFAOYSA-N,15950006.0,"cid is 15950006,compound_name is 2-Amino-5-(1-butylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one,cid_paras is 15950006,Molecular_Weight is 389.5,XLogP3 is 1.4,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 6,Exact_Mass is 389.19640838,Monoisotopic_Mass is 389.19640838,Topological_Polar_Surface_Area is 102,""Unit"":""Ų"",Heavy_Atom_Count is 29,Formal_Charge is 0,Complexity is 620,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1824141,,333984.0
+[Cl][C][=C][C][C][C][Branch2][Ring2][=N][N][=C][Branch2][Ring1][#C][N][C][Branch2][Ring1][Branch1][C][C][C][=Branch1][=Branch2][=C][S][C][=Ring1][Branch1][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C,1,GZLUSHWHRPZJDJ-UHFFFAOYSA-M,,,,CCCc1scc(-c2cn[nH]c2)c1CC(NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)[O-],
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][N][C][C][=C][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)CC(Cc2cc(OCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,JJZNHUUZTYYRMQ-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)CC(Cc3cc(F)c(N)c(OCC(F)(F)F)c3)C2O)c1,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][=Ring1][Branch2][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#N],Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#N,1,VAUWUKVZPXCDOH-UHFFFAOYSA-N,,,CHEMBL2177302,,366326.0
+[Cl][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Clc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,DOUDLQBZEIQPDX-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(Cl)cc1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC,1,XMAWGGKFFOLLCJ-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(CC)c2)c2cccnc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][N][C][C][\C][=Branch1][Ring1][=N][\O][\C][C][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC\C(=N\O)\CC1)c1cc(ccc1)C(C)(C)C,1,KAVAGXWLTMJBJP-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(=NO)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][N][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][N][=N][\O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C],S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,1,LYVMHNNDJFSBDO-CGVDEBMFSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=NOCc3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][#Branch2][N][Branch2][Branch1][=C][C][=C][C][=Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][Ring1][=N][\O][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(c1)/C(=N\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1,MFMXHFAVJGPYPW-MPFRGPAJSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=NO)cc(N(c3ccccc3)S(C)(=O)=O)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][#Branch1][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C,1,NWYPYVAFLQQNQH-NRWPOFLRSA-O,,,,CCn1cc2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CC4)cc31)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch2][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][C][C][C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCCCC1)C,1,MZZUETJXSRAUTC-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CCCCC4)cc13)N(C)S(=O)(=O)CC2,
+[O][C][C][C][C][O][C][=N][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][O][C],O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC,1,ULGBSRGDBHJMRG-UHFFFAOYSA-O,,,,COCc1cc2cc(n1)OCCCCOc1cccc(c1)CC(C(O)C[NH2+]C1(c3cccc(C(C)C)c3)CC1)NC2=O,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=N][N][C][=Branch1][C][=O][C@H1][O][C][C][C][Ring1][Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,DZIXUQJNRCUJQW-VMYWCARFSA-O,,,,CC(C)(C)Cc1cnc2c(c1)C([NH2+]CC(O)C(Cc1cccc(-c3nccs3)c1)NC(=O)C1CCCO1)CC1(CCC1)O2,
+[O][C][=N][C][=C][Branch2][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring2][Branch1][NH2+1][C][C][Branch1][C][O][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring2][C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C,1,KSQJUIXMCGQLTA-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cccc(-c2ccccn2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][Branch2][Branch1][Ring2][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S][=C][Branch1][C][F][C][=C][Ring2][Ring2][Branch1],s1ccnc1-c1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c(F)cc1,1,GJNXRLZLOPXPDU-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cc(-c2nccs2)ccc1F)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[O][C][=N][C][=C][Branch2][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring2][Ring2][NH2+1][C][C][Branch1][C][O][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][O][C][=C][N][=Ring1][Branch1][C][C][Ring2][Ring1][P][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2occn2)CC12CCC2)CC(C)(C)C,1,ZSKDOJWDZUSTHX-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cccc(-c2ncco2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[O][C][=N][C][=C][Branch2][Branch1][S][C][=C][Ring1][=Branch1][C][Branch2][Ring2][=C][NH2+1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][C][C][=C][C][Branch1][Branch1][C][Ring2][Ring1][C][=C][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][C][C][C][Ring2][Ring2][Ring2][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C2NC(=O)C=3C=CC(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2)CC(C)(C)C,1,BLWNAMGVEGTJBM-UHFFFAOYSA-O,,,,CC(C)(C)Cc1cnc2c(c1)C([NH2+]CC(O)C1Cc3cccc(c3)CCCCn3cc(ccc3=O)C(=O)N1)CC1(CCC1)O2,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)CC(NC(=O)C(OC)OC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,WFBCFVCVDDNMLZ-UHFFFAOYSA-O,,,,COC(OC)C(=O)NC(Cc1cccc(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=C][C][=Branch1][P][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch1][=N][\O][C][C][=C][/C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\OCC=C)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1,QEBHUOACLHWAEG-KCQOPNMNSA-O,,,,C=CCON=C(C)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(C(=O)N(CCC)CCC)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][C][O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CCO)C(O)C[NH2+]Cc1cc(OC)ccc1,1,HYIFLHYYKUNIJV-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(CCO)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][O][N][Branch2][Branch1][#C][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][Ring2][=N][/O][C][/C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1,QSISXEMQSXRVSL-RNOAKGAPSA-O,,,,CON=C(C)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=C][C][=Branch1][P][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1,QLIXSLLHXFBBJS-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(Oc2ccccc2)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring1][#C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1,DUCYMHLZJLVIHD-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(Oc2ccc(OC)cc2)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch2][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][=N][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Ring1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]C(CC)C)Cc1ccccc1)C,1,YUZALEJJOXEEJU-FKDJRHAXSA-O,,,,CCC(C)[NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cc2c3c(cn(CC)c3c1)CCS(=O)(=O)N2C,
+[F][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][F][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2],Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1,1,JIBQVJZSWQNHLX-QHCPKHFHSA-N,,,CHEMBL567477,,206098.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][P][N][Branch1][C][C][C][=C][C][=Branch2][=Branch1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][Branch1][C][O][C][C@@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)C[C@@H](C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,1,YSJJYNYCVZLWDI-MAGOTINQSA-N,,,,CC(CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NC(C(=O)NCc1ccccc1)C(C)C,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][#Branch2][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cc(nc(c1)CC)CC,1,FWLPFLWMHMGKPS-UHFFFAOYSA-N,,,CHEMBL605133,,210869.0
+[Cl][C][=C][C][=C][Branch2][Branch1][=C][N][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring2][Ring2][O],Clc1ccc(N(S(=O)(=O)C)c2cc(ccc2)C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C(=O)NC2CCCCC2)C)cc1,1,FPRUVWLYPRNZSM-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N(c2ccc(Cl)cc2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,OMAQNCHXLTWMDV-JOCHJYFZSA-N,,,CHEMBL1271244,,232887.0
+[F][C][C][#C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,ISEUMJDSFGLAOC-HXUWFJFHSA-N,,,CHEMBL1271037,,232800.0
+[F][C][C][C][#C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FCCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,ONIZYHRXWWCZPM-OAQYLSRUSA-N,,,CHEMBL1271141,,232845.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][O],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCO,1,KMESKSVXSOFRDY-OAQYLSRUSA-N,,,CHEMBL1271453,,232986.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][C][C][O],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCCCO,1,WBFOZABJJNJWHS-HSZRJFAPSA-N,,,CHEMBL1269921,,232224.0
+[F][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][O][C][C][C][F][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ccc(cc1OCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,ZPKMNSUSQSIWHS-HXUWFJFHSA-N,,,CHEMBL1270029,,232275.0
+[F][C][Branch1][C][F][C][C][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC(F)CCOc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,QCXKTZFBYUONCU-HXUWFJFHSA-N,,,CHEMBL1270435,,232490.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][O][C][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1,FFIYLUJZYDFEEX-TZFWCWEWSA-O,,,,COCC1CCCN1C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cccnc21,
+[O][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],O1CCC(CC1)CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1,ZZLASUXQDJCLCY-UHFFFAOYSA-N,,,,Cc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCC3CCOCC3)cc2c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2ccc(F)cc2)C1,1,PYFPQNUDNPPKCN-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(OCc3ccc(F)cc3)C[NH2+]2)C1=O,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC,1,IKJXVRPWMOVIMY-UHFFFAOYSA-N,,,CHEMBL1824144,,333987.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][C][C],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC,1,FSNVWNQXKNFHPF-UHFFFAOYSA-N,15950004.0,"cid is 15950004,compound_name is 2-Amino-5-(1-butylpyrazol-4-yl)-5-[3-(2-fluoropyridin-3-yl)phenyl]-3-methylimidazol-4-one,cid_paras is 15950004,Molecular_Weight is 406.5,XLogP3 is 2.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 6,Exact_Mass is 406.19173754,Monoisotopic_Mass is 406.19173754,Topological_Polar_Surface_Area is 89.4,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 660,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1824344,,334052.0
+[S][C][=C][Branch1][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][F],s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F,1,SYHWIMVHWVXBDN-UHFFFAOYSA-N,,,CHEMBL1824360,,334068.0
+[O][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#C][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch2][Branch1][C][C][C],O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C,1,VHEAOFTYJBIZJK-UHFFFAOYSA-N,,,CHEMBL2349506,,382605.0
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][Branch2][NH2+1][C][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][#Branch1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]C(C)c2cc(ccc2)C(C)(C)C)C1,1,JZTFFTMPOGLVCG-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]C(C)c3cccc(C(C)(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][=Branch1][NH2+1][C][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][#Branch1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2F)C(C)(C)C)C1,1,PZJIORSTWTVMPM-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]Cc3cc(C(C)(C)C)ccc3F)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ccc(cc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,MYTVXNHBRORZBI-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(F)c(C(F)(F)F)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][C][N][Branch2][Branch1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1,BIJXPMYPYGZKDW-CONSDPRKSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cccc(N(c3ccccc3)S(C)(=O)=O)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Branch1][C][=C][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1,1,SUHUZGDMCOOSBZ-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(S(=O)(=O)c2ccccc2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch1][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C@H1][Branch1][C][O][C][NH2+1][C][C][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC#C)Cc1ccccc1)C,1,BQPQSYLPPXUPAF-NRWPOFLRSA-O,,,,C#CC[NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cc2c3c(cn(CC)c3c1)CCS(=O)(=O)N2C,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Ring1][N][Branch2][Branch1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccc(OC)cc1)C,1,WZNIQJLAQZGRNG-UHFFFAOYSA-O,,,,COc1ccc(N(c2cccc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]C(C)C(=O)NC3CCCCC3)c2)S(C)(=O)=O)cc1,
+[Cl][C][=C][C][Branch2][Branch1][=C][N][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring2][Ring2][N],Clc1cc(N(S(=O)(=O)C)c2cc(ccc2)C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C(=O)NC2CCCCC2)C)cc(Cl)c1,1,ZDEXTHTTXHQRPJ-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1,
+[Cl][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][O][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][N],Clc1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N,1,KJTIMMBPKQWGQS-UHFFFAOYSA-N,,,,CC(Cc1cc2cc(-c3ncccc3Cl)ccc2nc1N)C(=O)NCCC(C)(C)C,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)C(N1CCC(NC(=O)C)(CC2CC2)C1=O)CCc1ccccc1)Cc1ccccc1,1,KREMIYDYDZKRGO-UHFFFAOYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2ccccc2)NC(=O)C(CCc2ccccc2)N2CCC(CC3CC3)(NC(C)=O)C2=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)CC(Cc2cc(OC3CCC3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,SFTUXQRUOWDWQS-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OC4CCC4)c3)C2O)c1,
+[F][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][C][#C][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1c(cccc1C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,DGWCRGXULLAKNL-UHFFFAOYSA-O,,,,C#Cc1cccc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)c1F,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)CC(NC(=O)CC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,MRNBFGIRQWINAX-UHFFFAOYSA-O,,,,CCC(=O)NC(Cc1cccc(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][Ring2][N][Branch2][=Branch1][Branch2][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][N][=N][\O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(c1)/C(=N\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1,PNMMECGLBBLQDQ-RLQZMOEYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=NOCc3ccccc3)cc(N(c3ccccc3)S(C)(=O)=O)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Branch1][C][=C][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1,1,MTCIPTUJJRPMSH-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(S(=O)(=O)c2ccc(OC)cc2)c1,
+[F][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][#C][C][O][C][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ccc(cc1C#CCOC)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,QUWFPNGUYZNWOB-OAQYLSRUSA-N,,,CHEMBL1270526,,232539.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][O][C][C][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1,BYCZLQHEBVAWLG-SATCGAIXSA-O,,,,CCOCC1CCCN1C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cccnc21,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][Branch1][C][C][Ring1][#Branch1][C][C][=C][Branch1][C][F][C][=C][Ring1][S],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)N(CC2)C)C)c(F)cc1,1,QQYCZBPVVWBIFS-UHFFFAOYSA-N,,,,CN1CCC(C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C1N,
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][=Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][O][Branch1][C][C][C][C][Ring2][Ring2][#Branch1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1,1,ZAUGVKYIEPVOOO-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]Cc3cccc(C(C)(C)CO)c3)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][=Ring1][Branch2][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][N][=C][Ring1][#Branch1],Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(F)cnc1,1,FLNASPMZRNYEQE-UHFFFAOYSA-N,,,CHEMBL2177301,,366325.0
+[S][Branch2][=Branch1][Branch1][C][=C][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1,1,ZJTTUPATNKQEFG-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(Sc2ccccc2)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][#Branch2][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH2+1][C][C][C][O][C][C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(=O)C[NH2+]C1CCOCC1)C,1,FPIHGNRFSYHNCI-UHFFFAOYSA-O,,,,CCn1cc2c3c(cc(C(=O)NC(Cc4ccccc4)C(=O)C[NH2+]C4CCOCC4)cc31)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][N][N][Branch2][Branch1][S][C][=C][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)-c1ccccc1)c1ccccc1)C,1,VKICSHONDTWPQK-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)c1,
+[F][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][#C][C][O][C][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][O],Fc1ccc(cc1C#CCOC)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1,1,UUDUVLNYHIGWDK-JOCHJYFZSA-N,,,CHEMBL1270334,,232431.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Branch1][Ring2][C][=Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(F)ccc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,WWHAOLPZRITQPV-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cc(F)ccc21,
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][Branch2][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][O][C][C][#C][N][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N,1,VZVGCEGYUMDYMU-UHFFFAOYSA-N,,,,C#CCOc1cnc(C(=O)Nc2ccc(F)c(C3(C)N=C(N)OCC3(F)F)c2)cn1,
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][C][C][C][C][Ring2][Ring2][=Branch1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1,1,OFDBSOZDYKJEFG-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]Cc3cccc(C(C)(C)O)c3)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][Branch1][C][F][C][N][C][=Branch1][Branch1][=N][C][Ring1][#Branch1][C][Branch1][=Branch1][N][=C][Ring1][#Branch1][N][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][N][=C][Ring1][Branch2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1,1,GIMSIOKOSRIQLD-UHFFFAOYSA-N,,,CHEMBL1957475,,345626.0
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],FC(F)(F)Oc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,VOPNGBLDZXPEHL-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(OC(F)(F)F)cc1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1,1,WPHAMDWBDNXCBJ-ZBAATNBSSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]Cc4cccc(OC)c4)cc13)NS(=O)(=O)CC2,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][P][C][C][C][=N][C][=Branch1][=Branch2][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)N)c1cc(ccc1)C(C)(C)C,1,LUWOLSNFQZQQJX-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCc2nc(N)ncc2C1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch1][Ring1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][Branch2][Ring1][Ring2][N][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],S(=O)(=O)(CC)c1cc(cc(N(S(=O)(=O)C)c2ccccc2)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F,1,JDPTZHWBCXFTAC-UHFFFAOYSA-O,,,,CCS(=O)(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=Branch2][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][\C][=C][\C][O][C][C][Branch1][=Branch1][N][C][Ring1][P][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\C=C\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1,MEKPYLBTTKGXAX-FNORWQNLSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C2COCC=CCCNC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][C][Branch1][N][N][=C][Branch1][#Branch1][O][C][C][C][Ring1][#Branch1][N][C][=C][Branch1][C][F][C][=C][Ring1][S],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(OCCC2)N)C)c(F)cc1,1,VSJNYKGDHZATGL-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCCOC(N)=N1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch2][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][O][C][C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C,1,FBCAWJXDTWUBGJ-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CCOCC4)cc13)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][P][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C,1,GXBZBNGARSSJGU-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C)cc13)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][S][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C],S(=O)(=O)(N(c1ccccc1)c1nccc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C,1,XPOQJTRNJVIZOK-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)ccn1,
+[O][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][O][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][N],O=C(C)c1ccccc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N,1,SZARSNWHVAWQRF-UHFFFAOYSA-N,,,CHEMBL1821830,,333169.0
+[S][C][=C][Branch1][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,1,QKCQMQCRKHZUPK-UHFFFAOYSA-N,,,CHEMBL1824353,,334061.0
+[O][C][=N][C][=C][Branch2][Branch1][C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][S][NH2+1][C][C][Branch1][C][O][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][C][Ring2][Ring1][#C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)C#CC)CC12CCC2)CC(C)(C)C,1,ODTHBEGKDAPUFY-UHFFFAOYSA-O,,,,CC#Cc1cccc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][N][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][\C][=C][\C][O][C][C][Branch1][=Branch1][N][C][Ring1][P][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\C=C\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)(C)C)C,1,MIJJZFPWMIQONO-SOFGYWHQSA-O,,,,CN(c1cc2cc(c1)C(=O)NC(C(O)C[NH2+]Cc1cccc(C(C)(C)C)c1)COCC=CCCNC2=O)S(C)(=O)=O,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C,1,PNANZSBGXNGJED-UHFFFAOYSA-N,,,,CN1C(=O)CC(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][=Ring1][Branch2][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cncnc1,1,GTKXPBNPVIGANR-UHFFFAOYSA-N,,,CHEMBL2177920,,366662.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CC(O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,ZJYJGAFCAQRJNY-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(CC(C)O)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C],O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CC,1,SHGMHNFVZNZZBT-UHFFFAOYSA-N,,,CHEMBL1821817,,333155.0
+[O][=C][Branch1][N][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C],O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C,1,ZVOWIRUWKAUSAB-UHFFFAOYSA-N,,,,Cc1cccnc1-c1ccc2nc(N)c(CC(C)C(=O)NCCC(C)(C)C)cc2c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][Branch1][C][O][C][C][C][C][Ring1][#Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][C][O][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1,1,BJLXWUUPRPJDFP-UHFFFAOYSA-O,,,,CCCC(O)C1CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(O)C[NH2+]2)C1=O,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][C][Branch1][C][C][C],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)C,1,KBZBWMIJRAOKSO-UHFFFAOYSA-N,,,CHEMBL1824341,,334049.0
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][Branch1][Ring2][O][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1cc(ccc1)CC(NC(=O)C(OCC)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,BTSCNDCMLRNJTB-UHFFFAOYSA-O,,,,CCOC(C)C(=O)NC(Cc1cccc(-c2nccs2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=Branch2][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][C][Branch1][=Branch1][N][C][Ring1][P][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1,ODVXZEJXZBETHN-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C2COCCCCCNC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1,
+[O][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][C][=C][N][=C][N][=C][Ring1][=Branch1],O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(cc1)CCC)-c1cncnc1,1,STMXKIRSIKWYMO-UHFFFAOYSA-N,,,,CCCc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][#Branch2][N][Branch2][Branch1][=C][C][=C][C][=Branch2][Branch1][Ring1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)c1ccccc1)C,1,BGEADCXJYGZUSB-LQJZCPKCSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=O)cc(N(c3ccccc3)S(C)(=O)=O)c2)c1,
+[O][C][C][C][C][O][C][=N][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C],O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C,1,DLWWAEZPTACWPK-UHFFFAOYSA-O,,,,Cc1cc2cc(n1)OCCCCOc1cccc(c1)CC(C(O)C[NH2+]C1(c3cccc(C(C)C)c3)CC1)NC2=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1][O][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC,1,UNHYCLXMUBLSOA-UHFFFAOYSA-O,,,,CCCOc1cccc2c1C[NH2+]C(C(O)C(Cc1cc(F)cc(F)c1)NC(=O)C(CCc1ccccc1)N1CCC(NC(C)=O)(C(C)CC)C1=O)C2,
+[Cl][C][=C][C][Branch1][C][C][=C][Branch1][Branch1][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][#C][N][=C][Branch1][#Branch2][O][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][=C][Branch1][C][F][C][=C][Ring1][P],Clc1cc(C)c(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1,1,LSQOOIQMQSYBNI-UHFFFAOYSA-N,,,,Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(C2(C)N=C(N)OCC2(F)F)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][=N][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1OC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F,1,GDPXKICHFRFONP-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1OC,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][C][=C][Ring1][Branch1][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCc2c1cc(OC)cc2,1,AZLWHCAOZGWHCN-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CCc3ccc(OC)cc32)cc(N2CCCCS2(=O)=O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][O][C][C][=Branch1][C][=O][N][C][C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC(=O)NCC1)c1cc(ccc1)C(C)(C)C,1,ZPLVBVXJWLOCEE-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCNC(=O)C1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Ring1][N][Branch2][Branch1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(OC)ccc1)C,1,FRUZRFQTENRJJT-UHFFFAOYSA-O,,,,COc1cccc(N(c2cccc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]C(C)C(=O)NC3CCCCC3)c2)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][O][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][O][C][C][Branch1][#Branch1][N][C][Ring2][Ring1][C][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1,FTRSNHHHXATJNL-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C2COCCCCCCNC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][#Branch1][=N][C][Ring1][=Branch1][C][C][Branch2][Ring1][#Branch2][C][C][=C][Ring1][=Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N][Branch1][C][C][C][N],O=C1N(C)C(=NC12CC(Cc1c2cc(cc1)-c1cc(ccc1)C#N)(C)C)N,1,KITXOXOZOIMSTQ-UHFFFAOYSA-N,,,CHEMBL2349475,,382574.0
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring2][Branch1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,1,WHGCVYRLVFZOSN-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[O][C][=N][C][=C][Branch2][Branch1][Ring1][C][=C][Ring1][=Branch1][C][Branch2][Ring1][P][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][=C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc(OC)c(OC)cc2)CC12CCC2)CC(C)(C)C,1,UVODFPUSJFFSKE-UHFFFAOYSA-O,,,,COc1ccc(CC(NC(C)=O)C(O)C[NH2+]C2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)cc1OC,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][N][=C][N][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][#C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2ncn(c2c1)CC)Cc1ccccc1,1,JTMOMHWUYKYKBN-UHFFFAOYSA-O,,,,CCn1cnc2c(N3CCCC3=O)cc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][P][C][=C][Branch1][=Branch1][C][C][C][Ring1][=Branch2][C][Branch1][Ring2][N][C][C][=C][C][=Branch1][Ring2][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C],S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C,1,WQHZROCXTAISEJ-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc2c1CCCS(=O)(=O)N2C,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][N][C][C][C][Branch1][Ring1][N][O][C][C][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C,1,ROMPPUBSQJCGMZ-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(NO)CC1,
+[O][C][C][C][C][N][C][=C][C][Branch1][Branch2][N][C][=C][O][C][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][=Branch2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C,1,AKKRZBQIPILXBF-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C2Cc3cccc(c3)OCCCCNc3cc(cc(N4C=COC4)c3)C(=O)N2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][C][C][C][Ring1][=Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1,OFSQPUHXPQZHMJ-UHFFFAOYSA-O,,,,CCCCC1CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(OCCC)C[NH2+]2)C1=O,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,PKQGPMLILUJFKM-UHFFFAOYSA-N,,,CHEMBL2349504,,382603.0
+[Cl][C][=C][N][Branch2][Ring2][#Branch2][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][#C][N][=C][Branch1][#Branch2][O][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][=C][Branch1][C][F][C][=C][Ring1][P][C][Branch1][C][F][F],Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C(F)F,1,YEHRNWYFLZJYAG-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3nn(C(F)F)cc3Cl)ccc2F)N=C(N)OCC1(F)F,
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=N][O][C][=Branch1][Ring2][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][=Branch1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1,1,BNFJJDOJXXRZDV-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]Cc3cc(CC(C)(C)C)on3)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1,1,JEEOUWBWJFSMIP-FLDQDSGZSA-O,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,UGBSEOTXZMYIEQ-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(C(C)NC(C)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch2][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=N][C@H1][Branch1][C][O][C][NH2+1][C][C][Branch1][C][F][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC(F)F)Cc1ccccc1)C,1,XQBSYJKOKFDCEX-GWQXNCQPSA-O,,,,CCn1cc2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]CC(F)F)cc31)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch1][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C,1,STVPNNWNBWFITL-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CC4)cc13)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch1][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)CC,1,NPKMQRVOVLQVSN-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CC4)cc13)N(CC)S(=O)(=O)CC2,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1,1,OPSMDCTXTURNQW-HSZRJFAPSA-O,,,,NC1=[NH+]C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN21,
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2],Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1,1,IRDBIIRYCSZMEB-UHFFFAOYSA-N,11517020.0,"cid is 11517020,compound_name is 2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one,cid_paras is 11517020,Molecular_Weight is 405.4,XLogP3 is 2.3,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 6,Rotatable_Bond_Count is 4,Exact_Mass is 405.16010306,Monoisotopic_Mass is 405.16010306,Topological_Polar_Surface_Area is 93.7,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 670,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL567688,,206132.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1,1,FZVZGKTWGPYMHW-UHFFFAOYSA-N,11647091.0,"cid is 11647091,compound_name is (5R)-2-amino-5-[3-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one,cid_paras is 11647091,Molecular_Weight is 404.4,XLogP3 is 3.3,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 4,Exact_Mass is 404.16485409,Monoisotopic_Mass is 404.16485409,Topological_Polar_Surface_Area is 80.8,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 674,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 1,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL566011,,206127.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#C][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][C][=Branch1][Branch1][=C][C][=Ring1][Branch1][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cc1)C([NH3+])(Cc1ccccc1)C)C,1,SPQNHSZTLTXJJP-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(-c2ccc(C(C)([NH3+])Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=Branch2][N][Branch2][Branch1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccc(cc1)C(F)(F)F)C,1,JNYDNVYRYGLEFM-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1,
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][/C][Branch1][C][/F][=C][\C][C][C][Ring1][Ring1],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C\C1CC1,1,SQRMALBFLFFPQZ-OJHVLRHSSA-N,,,CHEMBL1270527,,232540.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][\C][=C][\C][O][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\COC,1,MXYBHZMUJGWLNJ-KOXUSJRISA-N,,,CHEMBL1270628,,232588.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][\C][=C][\C][C][O][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\CCOC,1,OWWGQYLPNDSCHO-XRRIUQSZSA-N,,,CHEMBL1270629,,232589.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC,1,RIIMHERUTFJZHJ-HXUWFJFHSA-N,,,CHEMBL1270934,,232750.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][Branch1][C][C][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC(C)C,1,UPNDWOIUFRVACM-JOCHJYFZSA-N,,,CHEMBL1271245,,232888.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][C][Ring1][Ring1],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1,1,WQGSTVFPWRFZTI-JOCHJYFZSA-N,,,CHEMBL1271246,,232889.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][O][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCOC,1,IXGXVDWUAASEAH-OAQYLSRUSA-N,,,CHEMBL1271346,,232938.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][O][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCOC,1,TZGLGDNNNMVJMI-JOCHJYFZSA-N,,,CHEMBL1271452,,232985.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C@H1][Branch1][C][O][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#C[C@H](O)C,1,OAZKNZSYNJQFFL-LRTDBIEQSA-N,,,CHEMBL1269920,,232223.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][O],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(OCC2CC2)ccc1,1,USFLEPKOIMSGCK-OAQYLSRUSA-N,,,CHEMBL1270240,,232380.0
+[F][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][#C][C][C][C][Ring1][Ring1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,JZQHTDKITQYMAR-JOCHJYFZSA-N,,,CHEMBL1270335,,232432.0
+[F][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][#C][C][C][C][Ring1][Ring1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][O],Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1,1,JWLSQAAJQTZDQT-HSZRJFAPSA-N,,,CHEMBL1270432,,232487.0
+[F][C][=C][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][#C][C][F][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][O],Fc1ccc(cc1C#CCF)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1,1,JSGHRZJQFUOCAI-OAQYLSRUSA-N,,,CHEMBL1270631,,232591.0
+[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],O=C(NCc1ccccc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1,USPPVRYTYZVYSL-UHFFFAOYSA-N,,,,Cc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCc3ccccc3)cc2c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][Branch1][P][N][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1,SNDXBLGCUUUDPP-UHFFFAOYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(CCc2ccccc2)N2CCC(CC(C)C)C2=O)c1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][=N][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)(C)C)N,1,AMYWYRFRJYJRAM-UHFFFAOYSA-N,,,CHEMBL1824140,,333983.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][=N][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC1CCCCC1)N,1,IMPSJODCGOEHNO-UHFFFAOYSA-N,,,CHEMBL1824143,,333986.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][C][C][C],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(C)C,1,FCODAEYPNNQDQH-UHFFFAOYSA-N,15950003.0,"cid is 15950003,compound_name is 2-Amino-5-[3-(2-fluoropyridin-3-yl)phenyl]-3-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazol-4-one,cid_paras is 15950003,Molecular_Weight is 406.5,XLogP3 is 2.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 5,Exact_Mass is 406.19173754,Monoisotopic_Mass is 406.19173754,Topological_Polar_Surface_Area is 89.4,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 672,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1824340,,334048.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)(C)C,1,PKUREZXQXDANPA-UHFFFAOYSA-N,,,CHEMBL1824342,,334050.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][Ring1][C][C][C][C],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC,1,YZUUNTCUAMHFQT-UHFFFAOYSA-N,,,CHEMBL1824343,,334051.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1,1,APLGTNIWHISFNN-UHFFFAOYSA-N,,,CHEMBL1824345,,334053.0
+[O][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,GYFMZUJFUIFICF-UHFFFAOYSA-O,,,,CC(C)(C)Cc1cnc2c(c1)C([NH2+]CC(O)C(Cc1ccc3c(c1)OCO3)NC(=O)C1CCCO1)CC1(CCC1)O2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][S][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C],S(=O)(=O)(N(c1ccccc1)c1cc(cnc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C,1,RBVUYRDGDPAPKY-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccccc1)c1cncc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][S][N][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1,VWOLQCVVABTFAB-UHFFFAOYSA-O,,,,CCCOC1C[NH2+]C(C(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(CCc2ccccc2)N2CCC(C(C)C)C2=O)C1,
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][=Branch1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cn(nc2)CC(C)(C)C)C1,1,HRIOTEGBWIQIPA-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]Cc3cnn(CC(C)(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Ring2][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1,JETJWGUSWYCCER-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(Oc2ccc(F)cc2)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][=Branch1][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C@H1][Branch1][=N][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Ring1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C(CC)C)Cc1ccccc1)C,1,WSZHJFHSCUWOJZ-RLOVBGABSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C(C)CC)cc13)N(C)S(=O)(=O)CC2,
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][C][Ring1][Ring1],FC(F)Oc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1,1,PWZLUGHNDYWEDU-QHCPKHFHSA-N,,,CHEMBL1270630,,232590.0
+[Cl][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][S][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,CAPHIWIAVKZGOU-UHFFFAOYSA-N,,,CHEMBL2349477,,382576.0
+[Cl][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][N][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],Clc1cc(cc(Cl)c1)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccc(OC)cc1,1,DTEDGQCAFBVFLT-UHFFFAOYSA-N,,,CHEMBL1957469,,345620.0
+[O][C][=N][C][=C][Branch2][Ring2][P][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][O][C][C][O][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][=C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc3OCCOc3cc2)CC12CCC2)CC(C)(C)C,1,WDKYDCHLWJMLIC-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc2c(c1)OCCO2)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Ring2][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch2][C@H1][Branch1][C][O][C][NH2+1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CC)Cc1ccccc1)C,1,OTTLWNIOFJDSBI-XUZZJYLKSA-O,,,,CC[NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cc2c3c(cn(CC)c3c1)CCS(=O)(=O)N2C,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][N][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1C)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F,1,GYMHELIUJKCORO-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1C,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][C][Branch1][#Branch2][N][Branch1][Branch1][C][=C][Ring1][Branch1][C][C][=C][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1,1,BJAZGJCGTUFTCO-UHFFFAOYSA-O,,,,CCn1ccc2c(N3CCCC3=O)cc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][=C][C][=C][C][=Branch2][Ring1][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C,1,GPAVTBALSLYNRZ-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C(C)(C)CCCC(C)C)cc13)N(C)S(=O)(=O)C2,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch2][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C(C)C,1,BKJAHVKDVOINBT-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CCOCC4)cc13)N(C(C)C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][P][N][Branch2][Branch1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C,1,VACCKGGBGSUGJZ-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccccc1)c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1,
+[Br][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1,1,ALYPYEKUDDPJBP-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(Br)c2)c2cccnc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][C][C][Branch1][Ring2][C][O][C][C][Ring1][Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1,1,XIOCYSCUCXBALF-UHFFFAOYSA-O,,,,CCCOC1C[NH2+]C(C(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(CCc2ccccc2)N2CCC(COC)C2=O)C1,
+[Cl][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][O][S][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Clc1cc(cc(F)c1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,GXJIAAQHNJAEQT-UHFFFAOYSA-N,,,CHEMBL2349472,,382571.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][C][Branch1][N][N][=C][Branch1][C][N][C][O][C][C][Ring1][Branch2][C][=C][Branch1][C][F][C][=C][Ring1][S],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1,1,INHMXSSOQVTRFA-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCOCC(N)=N1,
+[F][C][Branch1][C][F][C][N][C][=Branch1][Branch1][=N][C][Ring1][#Branch1][C][Branch1][=Branch1][N][=C][Ring1][#Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1,1,MNFPPKGDMSWYSF-UHFFFAOYSA-N,,,CHEMBL1957474,,345625.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][O][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C,1,GJZNABCEATUZGN-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(O)CC1,
+[S][Branch1][C][C][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Branch1][=Branch1][C][C][Ring2][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],S(C)C1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C,1,OKCAXXYGGRXMBK-UHFFFAOYSA-O,,,,CSC1CCC([NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CC1,
+[Br][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Branch2][C][NH2+1][C][C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1C1CCCCC1)c1ccccc1,1,UGWJTMBLTCCLLX-UHFFFAOYSA-O,,,,O=C(C1C[NH2+]CC12CCCc1cc(Br)ccc12)N1CCC(c2ccccc2)CC1C1CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][Ring2][O][C][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][O][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][P],S1(=O)(=O)CC(Cc2cc(OCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,QNARTEMYCRFHBN-UHFFFAOYSA-O,,,,CCOc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N,
+[Cl][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][O][C][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Clc1cc(cc(F)c1)-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,XCWNHCCHTWHNEC-UHFFFAOYSA-N,,,CHEMBL2349473,,382572.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][P][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch1][=N][\O][C][C][C][/C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,1,FBEUIWQATNZQON-OIUKUBJVSA-O,,,,CCCON=C(C)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1,
+[O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C,1,ZTFBNTHPVBDCAM-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C(Cc2ccccc2)NC(=O)C2CCCC(C(C)(C)N3CCCC3=O)C2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][P][N][Branch2][Branch1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][N][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C,1,XGQFYIAWNPUACI-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1cccnc1)c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][C][C][C][Ring1][=Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][C][O][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1,1,JZIFFYJEFQCCJY-UHFFFAOYSA-O,,,,CCCCC1CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(O)C[NH2+]2)C1=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][Branch2][O][C][C][O][C][Ring1][Ring2][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)CC(Cc2cc(OC3COC3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,SDEDNCZAWZKEDI-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OC4COC4)c3)C2O)c1,
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][=C][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Branch1][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N,1,OZLMKUNCILJVMA-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)ccc2F)N=C(N)OCC1(F)F,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][#C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1,1,MHUJDBRPTZFLGV-UHFFFAOYSA-O,,,,CCc1c[nH]c2c(N3CCCC3=O)cc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc12,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][=Branch1][=Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][Branch1][#C][C][C][NH1+1][Branch1][=Branch1][C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C],S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C,1,RRNNGAJPJXHPBJ-UHFFFAOYSA-P,,,,CCN1CC[NH+]2CCS(=O)(=O)N(C)C3C=C(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]Cc4cccc(C(F)(F)F)c4)C=C1C32,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch2][C][=C][Branch1][=Branch1][C][C][C][Ring1][=Branch2][C][Branch1][Ring2][N][C][C][=C][C][=Branch1][Ring2][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Branch1][C][F][Branch1][C][F][F][C],S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C,1,CXEAEKCTSODPSS-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]CCC(F)(F)F)cc2c1CCCS(=O)(=O)N2C,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Ring2][N][Branch2][Branch1][Branch2][C][=C][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c1C)c1ccccc1)C,1,XYPSUEPECMURMW-UHFFFAOYSA-O,,,,Cc1c(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cccc1N(c1ccccc1)S(C)(=O)=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][O][C][C][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCCC[C@@H]1COCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1,ZVMZRQSUXBOUNG-RKVVATLDSA-O,,,,CCOCC1CCCCN1C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cccnc21,
+[O][Branch1][C][C][C][=C][Branch2][Ring2][S][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#C][C][C],O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C,1,KQOKXSWNRISXBF-UHFFFAOYSA-N,,,CHEMBL2180031,,367698.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][#C][N][=C][Branch1][#Branch2][O][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][=C][Branch1][C][F][C][=C][Ring1][P],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1,1,FQQAQHRJTBVECP-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)OCC1(F)F,
+[Cl][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][#C][N][=C][Branch1][#Branch2][O][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][=C][Branch1][C][F][C][=C][Ring1][P],Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1,1,SAJHJLBNBLIXLI-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)N=C(N)OCC1(F)F,
+[O][C][=N][C][=C][Branch2][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring2][Branch1][NH2+1][C][C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][Ring2][Ring2][C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)c2cccnc2)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C,1,DEZCGBNUMKGKRI-UHFFFAOYSA-O,,,,CC(C)(C)Cc1cnc2c(c1)C([NH2+]CC(O)C(Cc1ccc3c(c1)OCO3)NC(=O)c1cccnc1)CC1(CCC1)O2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=N][N][Branch2][Branch1][P][C][=C][C][=Branch1][P][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch1][=N][\O][C][C][=C][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(c1)/C(=N\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,1,MZMAATFSWMNCNR-DTZLTYDQSA-O,,,,C=CCON=C(C)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1,
+[S][Branch2][=Branch1][Branch1][C][=C][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1,1,DBNURGUCIBRASG-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(Sc2ccc(OC)cc2)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[O][C][C][C][C][N][C][=N][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C],O1CCCCNc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1,WPGDASXVPILJSI-UHFFFAOYSA-O,,,,Cc1cc2cc(n1)NCCCCOc1cccc(c1)CC(C(O)C[NH2+]Cc1cccc(C(C)C)c1)NC2=O,
+[O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][C],O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(C)C,1,MUOYKKPOPPKXNF-UHFFFAOYSA-N,,,CHEMBL1821818,,333156.0
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][Branch1][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][=C][C][=C][Ring1][P][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)nc2)ccc1F)N,1,YPYVNGJSDUTKIO-UHFFFAOYSA-N,,,,COc1cnc(C(=O)Nc2ccc(F)c(C3(C)N=C(N)OCC3(F)F)c2)cn1,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][C][N][=C][Branch1][C][N][C][O][C][C][Ring1][Branch2][C][Ring1][=Branch2][=C][Branch1][C][F][C][=C][Ring1][S],Clc1ccc(nc1)C(=O)Nc1cc(C23N=C(N)COCC2C3)c(F)cc1,1,HOPLUAKMYRGQPD-UHFFFAOYSA-N,,,,NC1=NC2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)CC2COC1,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][C][Branch1][#Branch2][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][=C][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(nc2)CC)c1)Cc1ccccc1,1,JWSLPJZVLFZEJV-UHFFFAOYSA-O,,,,CCn1ncc2c(N3CCCC3=O)cc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)CNc1ccc(OC)cc1,1,PZOWVJSFRDNGMG-UHFFFAOYSA-N,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)CNc4ccc(OC)cc4)cc13)NS(=O)(=O)CCC2,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCC(C)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,YJEZEPZLUVKHLW-UHFFFAOYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cn(C(=O)N(C)CCC(C)C)c3ncccc23)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][Branch2][C][=N][NH1][C][=C][Ring1][Branch1][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)CC(Cc2cc(-c3n[nH]cc3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,JVAXIHSFKUXWQI-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(-c4cc[nH]n4)c3)C2O)c1,
+[Cl][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Clc1cc(cc(Cl)c1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,ZXOLJYUYPJRDLJ-UHFFFAOYSA-N,,,CHEMBL2349617,,382674.0
+[F][C][Branch1][C][F][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],FC(F)Oc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,VQNCDPHEWAYVDD-UHFFFAOYSA-N,,,CHEMBL2349496,,382595.0
+[F][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][N][=C][Branch1][P][N][C][Ring1][Branch1][=N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1,1,WBBGIHPOPYLPCW-UHFFFAOYSA-N,,,CHEMBL1957477,,345628.0
+[F][C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S][C],FC(C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C,1,KCMGCUJYXNVZQQ-UHFFFAOYSA-O,,,,CC(F)C(=O)NC(Cc1ccc2c(c1)OCO2)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch2][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][F][Branch1][C][F][F],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F,1,GLEZETRPRUIAGJ-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CCOCC4)cc13)N(CC(F)(F)F)S(=O)(=O)CC2,
+[Cl][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Branch2][C][NH2+1][C][C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],Clc1nc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1C1CCCCC1)c1ccccc1,1,BVBQXGDSJPQNKF-UHFFFAOYSA-O,,,,O=C(C1C[NH2+]CC12CCCc1nc(Cl)ccc12)N1CCC(c2ccccc2)CC1C1CCCCC1,
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],s1ccnc1-c1ccc(cc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,IANAVLJQRMMYRG-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1ccc(-c2nccs2)cc1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][N][=C][Branch1][O][N][C][Ring1][Branch1][=N][O][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)C1(N=C(N2C1=NOCC2)N)c1ccc(OC(F)(F)F)cc1,1,SCODXNNXABJQIY-UHFFFAOYSA-N,,,CHEMBL567430,,202492.0
+[O][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,1,NJDRPIPNXBADEH-UHFFFAOYSA-N,11668187.0,"cid is 11668187,compound_name is 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11668187,Molecular_Weight is 387.4,XLogP3 is 2.2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 4,Exact_Mass is 387.16952493,Monoisotopic_Mass is 387.16952493,Topological_Polar_Surface_Area is 93.7,""Unit"":""Ų"",Heavy_Atom_Count is 29,Formal_Charge is 0,Complexity is 635,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL566012,,206128.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][=Branch1][=N][C@@][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][C][N],O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N,1,INKNZABLNYYGBD-NRFANRHFSA-N,15950597.0,"cid is 15950597,compound_name is rac-2-amino-4-(2-ethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 15950597,Molecular_Weight is 372.4,XLogP3 is 1.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 4,Exact_Mass is 372.16985928,Monoisotopic_Mass is 372.16985928,Topological_Polar_Surface_Area is 97.4,""Unit"":""Ų"",Heavy_Atom_Count is 28,Formal_Charge is 0,Complexity is 604,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL598259,CCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)ccn1,210813.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,1,PVTVKIDYHUXCHW-UHFFFAOYSA-N,15951489.0,"cid is 15951489,compound_name is 2-Amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one,cid_paras is 15951489,Molecular_Weight is 372.4,XLogP3 is 2.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 4,Exact_Mass is 372.15862589,Monoisotopic_Mass is 372.15862589,Topological_Polar_Surface_Area is 80.8,""Unit"":""Ų"",Heavy_Atom_Count is 28,Formal_Charge is 0,Complexity is 603,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1092124,,216920.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,1,CMYIUDXGRYVNQW-UHFFFAOYSA-N,,,CHEMBL1090027,,216989.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC)cc1,1,RIWZSRFUUJMOEH-JOCHJYFZSA-N,,,CHEMBL1271344,,232936.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][Branch1][O][C][C][F][C][=C][Ring1][#Branch2],Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OCCF)cc1,1,IWNLEEUFYZWVMW-HSZRJFAPSA-N,,,CHEMBL1271450,,232983.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC,1,VPAPXCBKEQELKC-OAQYLSRUSA-N,,,CHEMBL1270727,,232642.0
+[F][C][Branch1][C][F][C][\C][=C][\C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC(F)C\C=C\c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,VSAWCPRVIUYQEL-LAEWNIMASA-N,,,CHEMBL1270433,,232488.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC,1,GRSRJXGZMHCKBH-JOCHJYFZSA-N,,,CHEMBL1271036,,232799.0
+[F][C][Branch1][C][F][C][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC(F)COc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,RFTVUHNWLSBSCT-LJQANCHMSA-N,,,CHEMBL1270338,,232435.0
+[F][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][\C][=C][Branch1][C][\F][/F][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ccc(cc1OCC\C=C(\F)/F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,LBGKTMHMJXSPFM-OAQYLSRUSA-N,,,CHEMBL1270436,,232491.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][#Branch2][O][C][C][\C][=C][Branch1][C][\F][/F][=C][C][=C][Ring1][=N],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(OCC\C=C(\F)/F)ccc1,1,UHWBHOZJAQBPJW-OAQYLSRUSA-N,,,CHEMBL1270529,,232542.0
+[F][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][#C][C][C][C][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][O],Fc1ccc(cc1C#CCCC)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1,1,GASOVDDSXLJYME-HSZRJFAPSA-N,,,CHEMBL1270834,,232699.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][O][C][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCCC[C@@H]1COC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1,1,SGRRTJNBTAZYQF-SATCGAIXSA-O,,,,COCC1CCCCN1C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cccnc21,
+[Cl][C][=C][C][=C][Branch2][Branch1][#C][N][Branch2][Ring2][#C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][=C][Ring2][Ring2][O],Clc1cc2c(n(cc2C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cc(OC)ccc2)C(=O)N(CCCC)C)cc1,1,KFYQJOWXFOCSRP-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cc(Cl)ccc21,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][=Branch2][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][C][C][C][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC(C)C)N,1,GJCACXYIYRCVKX-UHFFFAOYSA-N,15950005.0,"cid is 15950005,compound_name is 2-Amino-3-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one,cid_paras is 15950005,Molecular_Weight is 389.5,XLogP3 is 1.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 5,Exact_Mass is 389.19640838,Monoisotopic_Mass is 389.19640838,Topological_Polar_Surface_Area is 102,""Unit"":""Ų"",Heavy_Atom_Count is 29,Formal_Charge is 0,Complexity is 633,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1824138,,333981.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][#Branch2][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][C][Branch1][C][C][C][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)C)N,1,DUYKHVPWTFUMKA-UHFFFAOYSA-N,,,CHEMBL1824139,,333982.0
+[F][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][F][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C],Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC,1,XLKFXPAKZSTNHX-UHFFFAOYSA-N,15950086.0,"cid is 15950086,compound_name is 2-Amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoropyridin-3-yl)phenyl]-3-methylimidazol-4-one,cid_paras is 15950086,Molecular_Weight is 396.4,XLogP3 is 1.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 6,Rotatable_Bond_Count is 4,Exact_Mass is 396.15101554,Monoisotopic_Mass is 396.15101554,Topological_Polar_Surface_Area is 89.4,""Unit"":""Ų"",Heavy_Atom_Count is 29,Formal_Charge is 0,Complexity is 663,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1824336,,334044.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][F],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F,1,FLYFOUIVIYZLRH-UHFFFAOYSA-N,,,,CN1C(=O)C(c2cccc(-c3cccnc3F)c2)(c2cnn(CC(F)(F)F)c2)N=C1N,
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][F][=C][Branch1][C][F][C][=C][Ring1][=C],s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1,1,JCEVTYZGXQGFEM-UHFFFAOYSA-N,,,CHEMBL1824357,,334065.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][C][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,QOSNPHUJYRNMGO-UHFFFAOYSA-N,,,CHEMBL2349476,,382575.0
+[Cl][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][C][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,NDXIZMXUTQMJAP-UHFFFAOYSA-N,,,CHEMBL2349478,,382577.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][N][=C][Branch1][P][N][C][Ring1][Branch1][=N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ncccc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccc(OC(F)F)cc1,1,BIXBSTCQPHUSBY-UHFFFAOYSA-N,,,CHEMBL1957476,,345627.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1,YDTKXRCFWVLUOJ-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cccc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][N][=N][\O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,1,YBVRQIXRQLHGHQ-LZJRJMBSSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=NOCc3ccccc3)cc(N3CCCCS3(=O)=O)c2)c1,
+[S][C][=N][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],s1cncc1CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1,KSWWBLYGIZHTMF-UHFFFAOYSA-N,,,CHEMBL1821823,,333161.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][Branch1][C][O][C][NH2+1][C][C][Branch1][C][O][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1,1,QPTJRBQKRLMQEY-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(O)C[NH2+]2)C1=O,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][#C][C][Branch1][O][N][=C][Branch1][C][N][C][O][C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][Ring1][#C],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1,1,BBTMSQSMAGSWCB-UHFFFAOYSA-N,,,CHEMBL3653396,,463315.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][P][N][=C][Branch1][C][N][C][Branch1][Branch1][C][C][Ring1][#Branch1][C][C][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][Ring1][P],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C3(CC2)CC3)C)c(F)cc1,1,RAZJMBZQZOFYHI-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCC2(CC2)C(N)=N1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][=Branch1][Ring1][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][C@H1][Branch1][C][O][C][NH2+1][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC(F)(F)C(F)(F)F)Cc1ccccc1)C,1,JRVZLAIIMIAJLW-GWQXNCQPSA-O,,,,CCn1cc2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]CC(F)(F)C(F)(F)F)cc31)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#Branch2][N][Branch2][Ring2][=C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)C)c1ccccc1)C,1,HUCKKBDXVQDXSC-UHFFFAOYSA-O,,,,CC(C)CCCC(C)[NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N(c2ccccc2)S(C)(=O)=O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,ZQUAAPQDGHJGPZ-UHFFFAOYSA-O,,,,CCCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cccnc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][C][C][Branch1][Ring2][C][O][C][C][Ring1][Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1,LVFMRCNROUBZAJ-UHFFFAOYSA-O,,,,COCC1CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)C1=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Ring1][C][C][=C][C][Branch1][P][O][C@@H1][Branch1][Branch1][C][O][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Branch2],S1(=O)(=O)CC(Cc2cc(O[C@@H](COCC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,UJZFSYZNJMWXJO-SASBRVPGSA-O,,,,CCOCC(Oc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][Branch1][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][=C][C][=C][Ring1][P][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#C)ccc1F)N,1,CQEOGCIXQLQZTF-UHFFFAOYSA-N,,,,C#Cc1ccc(C(=O)Nc2ccc(F)c(C3(C)N=C(N)OCC3(F)F)c2)nc1,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][C][NH1+1][Branch1][Ring2][C][Ring1][#Branch1][C][C],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C[NH+](C1)C)C,1,YDTKBAVBHFZIQT-UHFFFAOYSA-O,,,,C[NH+]1CC(N)=NC(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch2][Ring1][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)C(F)(F)F)c1cc(ccc1)C(C)(C)C,1,WLGNKYICVSDLGS-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(C(F)(F)F)CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,IJLUWQFZOXPVBN-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cccnc21,
+[O][C][=N][C][=C][Branch2][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring2][Branch1][NH2+1][C][C][Branch1][C][O][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring2][Ring2][C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ccncc2)CC12CCC2)CC(C)(C)C,1,JSYZFOJZNAGVKR-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cccc(-c2ccncc2)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][#Branch2][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][#C],S1(=O)CC(Cc2cc(OC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,YDLJWZHCJHGQOV-UHFFFAOYSA-O,,,,COc1cc(CC2CS(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ncccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,PJSWLSWWNIITCK-UHFFFAOYSA-O,,,,CC(C)(C)Cc1cnc2c(c1)C([NH2+]CC(O)C(Cc1ccc3c(c1)OCO3)NC(=O)c1cccnc1F)CC1(CCC1)O2,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][N][=N][N][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][#C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2nnn(c2c1)CC)Cc1ccccc1,1,WJVIKTWKVRMSDW-UHFFFAOYSA-O,,,,CCn1nnc2c(N3CCCC3=O)cc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc21,
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)-c1cncnc1,1,FYQZYBSHWLRFKL-UHFFFAOYSA-O,,,,NC1=[NH+]C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN21,
+[O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C],O=C(NCC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C,1,WHCBVAPBSFXPHD-UHFFFAOYSA-N,,,CHEMBL1821812,,333150.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][Branch1][C][NH3+1][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC([NH3+])C1,1,XOYZPRDIMSHLPA-UHFFFAOYSA-P,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC([NH3+])C[NH2+]2)C1=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][P][N][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1,1,BJPUGAOPNNOBLI-UHFFFAOYSA-O,,,,CCCOC1C[NH2+]C(C(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(C)N2CCC(CC(C)C)C2=O)C1,
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][P][N][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][F],Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F,1,NUHPHIRGDFSKMJ-UHFFFAOYSA-N,,,,NC1=NC(c2ccnc(C(F)F)c2)(c2ccc(F)c(-c3cncnc3)c2)c2cccc(F)c21,
+[F][C][Branch1][C][F][O][C][=C][C][=Branch1][N][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],FC(F)Oc1cc(ccc1OC(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,AGUOMKYLIBUMLE-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(OC(F)F)c(OC(F)F)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[Cl][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],Clc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,NBTCNBCWVKBTIT-UHFFFAOYSA-N,11545958.0,"cid is 11545958,compound_name is 2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11545958,Molecular_Weight is 406.9,XLogP3 is 3.1,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 4,Exact_Mass is 406.1196536,Monoisotopic_Mass is 406.1196536,Topological_Polar_Surface_Area is 80.8,""Unit"":""Ų"",Heavy_Atom_Count is 29,Formal_Charge is 0,Complexity is 644,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL565996,,206115.0
+[O][=C][Branch2][Ring1][O][N][C][C][C][Branch1][=N][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][NH2+1][C][C][Ring1][Branch1][C][C][C][C][=N][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C],O=C(N1CCC(CC1C1CCCCC1)c1ccccc1)C1C[NH2+]CC12CCCc1nc(ccc12)C,1,MIMTYWSHVJRVLA-UHFFFAOYSA-O,,,,Cc1ccc2c(n1)CCCC21C[NH2+]CC1C(=O)N1CCC(c2ccccc2)CC1C1CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][=C][Ring1][=N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)CC(Cc2cc(OCC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,VOALVXSOIZPBFI-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(N)c(OCC(F)(F)F)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Branch2],S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cn(nc2)CC(C)(C)C)C1,1,AZZAPLDRNFVCMT-UHFFFAOYSA-O,,,,CC(C)(C)Cn1cc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)C2O)cn1,
+[Cl][C][=C][C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][=C][Branch1][C][F][C][=C][Ring2][Ring1][#Branch2],Clc1cc(-c2cc3c(OC(CC34N=C(N)N(C)C4=O)(C)C)cc2)c(F)cc1,1,OUCIAEQJBJEZJE-UHFFFAOYSA-N,,,CHEMBL2349491,,382590.0
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][#Branch1][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][N][Branch1][Branch1][C][=C][Ring1][Branch1][C][Branch1][C][F][F][=C][C][=C][Ring1][P][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C(F)F)ccc1F)N,1,ZGKZXHJOPQGOHJ-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccn(C(F)F)n3)ccc2F)N=C(N)OCC1(F)F,
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][N][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][F],Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cc(F)cc2F)c1cc(ncc1)C(F)F,1,DDTQSKNBGXPOMX-UHFFFAOYSA-N,,,,NC1=NC(c2ccnc(C(F)F)c2)(c2ccc(F)c(-c3cncnc3)c2)c2cc(F)cc(F)c21,
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][N][=C][Branch1][P][N][C][Ring1][Branch1][=N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][N][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2],Fc1ccc(cc1-c1cccnc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1cc(C)c(OC)cc1,1,YGQLOGGNUHAJMB-UHFFFAOYSA-N,,,CHEMBL1957478,,345629.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][Ring1][=N][\O][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,1,MLQVWTFEORRPFZ-IDMORGKVSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=NO)cc(N3CCCCS3(=O)=O)c2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CO)c1cc(ccc1)C(C)(C)C,1,UITAFDSBPXSWKK-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(CO)CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][C][C][C][Ring1][=Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1,RZGMTOUZICFOSQ-UHFFFAOYSA-O,,,,CCCCC1CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)C1=O,
+[Cl][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Clc1cc(cc(F)c1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,YBGCQCRROHLRHP-UHFFFAOYSA-N,,,CHEMBL2349490,,382589.0
+[Cl][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][#C][C][Branch1][O][N][=C][Branch1][=Branch1][O][C][C][Ring1][=Branch1][N][C][=C][Branch1][C][F][C][=C][Ring1][#C],Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(OCC2)N)C)c(F)cc1,1,CDNCNEWZGVRQRT-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CCOC(N)=N1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch1][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C@H1][Branch1][C][O][C][NH2+1][C][C][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCF)Cc1ccccc1)C,1,MRGNUQIOLFDABG-MQNHUJCZSA-O,,,,CCn1cc2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]CCF)cc31)N(C)S(=O)(=O)CC2,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][N][Branch1][=N][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][#C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1,1,LETZXDGOOFGVHV-UHFFFAOYSA-O,,,,CCc1cn(C)c2c(N3CCCC3=O)cc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc12,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#N],S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(cnc1)C#N,1,YNNNGZRXTAOFAM-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cncc(C#N)c2)cc(N2CCCCS2(=O)=O)c1,
+[O][C][=C][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][=Branch1],o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1,1,CZSNUKITORTJBZ-UHFFFAOYSA-N,,,CHEMBL590830,,206950.0
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,WKDSDPYPMAYPSN-UHFFFAOYSA-N,11532248.0,"cid is 11532248,compound_name is 2-amino-4-(4-methoxy-3-(trifluoromethyl)phenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11532248,Molecular_Weight is 440.4,XLogP3 is 3.4,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 7,Rotatable_Bond_Count is 4,Exact_Mass is 440.14601035,Monoisotopic_Mass is 440.14601035,Topological_Polar_Surface_Area is 80.8,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 731,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL585289,,206116.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][=Branch1][=N][C][Ring1][=Branch1][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][C][=N][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1cc(ccc1)C#N)c1ccncc1)N,1,MADLMWLQBKXXTR-UHFFFAOYSA-N,15951487.0,"cid is 15951487,compound_name is 3-[3-(2-Amino-1-methyl-5-oxo-4-pyridin-4-ylimidazol-4-yl)phenyl]benzonitrile,cid_paras is 15951487,Molecular_Weight is 367.4,XLogP3 is 2.3,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 3,Exact_Mass is 367.14331018,Monoisotopic_Mass is 367.14331018,Topological_Polar_Surface_Area is 95.4,""Unit"":""Ų"",Heavy_Atom_Count is 28,Formal_Charge is 0,Complexity is 676,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1092475,,216922.0
+[F][C][=C][Branch1][Branch2][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1c(cccc1F)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,1,GIDCLQLMYYYDAO-UHFFFAOYSA-N,,,CHEMBL1092786,,216940.0
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][C][N][=C][Branch1][Branch1][O][C][C][O][C][=C][Ring1][O][C][=Branch1][Branch1][=C][C][=Ring1][P][C][=C][C][=C][Branch1][#Branch2][O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N],Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(Oc2cncnc2)cc1,1,BWTCKKGQSUGPNA-UHFFFAOYSA-N,11642048.0,"cid is 11642048,compound_name is 2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-yloxy)ethanol,cid_paras is 11642048,Molecular_Weight is 514.0,XLogP3 is 3.9,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 7,Rotatable_Bond_Count is 9,Exact_Mass is 513.1567673,Monoisotopic_Mass is 513.1567673,Topological_Polar_Surface_Area is 108,""Unit"":""Ų"",Heavy_Atom_Count is 37,Formal_Charge is 0,Complexity is 678,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1090542,,217673.0
+[F][C][C][\C][=C][\C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FCC\C=C\c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,LMLIBMAHTWKELB-XGLIRFAXSA-N,,,CHEMBL1270337,,232434.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][\C][=C][\C][C][C][O],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\CCCO,1,AVTLPQHFOWVUGZ-XRRIUQSZSA-N,,,CHEMBL1270832,,232697.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC,1,AIUNZLDXXBFOSW-OAQYLSRUSA-N,,,CHEMBL1270935,,232751.0
+[F][C][C][C][C][C][#C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FCCCCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,GABMJOBOOPAAAJ-HSZRJFAPSA-N,,,CHEMBL1271142,,232846.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][Branch1][C][O][C][C][C][C][Ring1][#Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][Branch1][C][O][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(O)C1,1,ZETIFIIPHSQINF-UHFFFAOYSA-O,,,,CCCC(O)C1CCN(C(C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(O)C[NH2+]2)C1=O,
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C],Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC,1,QFKPRVADZPYBNW-UHFFFAOYSA-N,11990755.0,"cid is 11990755,compound_name is 2-Amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one,cid_paras is 11990755,Molecular_Weight is 379.4,XLogP3 is 0.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 6,Rotatable_Bond_Count is 4,Exact_Mass is 379.15568639,Monoisotopic_Mass is 379.15568639,Topological_Polar_Surface_Area is 102,""Unit"":""Ų"",Heavy_Atom_Count is 28,Formal_Charge is 0,Complexity is 625,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1824135,,333978.0
+[F][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][F][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][Branch1][C][C][C],Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C,1,HNEPKJNWZLGKMM-UHFFFAOYSA-N,,,CHEMBL1824339,,334047.0
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][F],s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F,1,VCKGJRZFNMIOEB-UHFFFAOYSA-N,,,CHEMBL1824355,,334063.0
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][N][=C][Ring1][Branch2],s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cc(OC)cnc1,1,PDTDVARFGYKUMS-UHFFFAOYSA-N,,,CHEMBL1824358,,334066.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][P][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][Ring1][Branch2][C][C][=C][Branch1][C][F][C][=C][Ring1][P],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C(=O)N(C2)C)C)c(F)cc1,1,IBPGEEKFYIPLRV-UHFFFAOYSA-N,,,CHEMBL1923297,,339932.0
+[F][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][C][#C][C][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ccc(cc1C#CC)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,NDAQOTDOXUWRAJ-HXUWFJFHSA-N,,,CHEMBL1270936,,232752.0
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][O][C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],Fc1c2c(ccc1)C(N=C2N)(c1cc(C#N)c(OC)c(c1)C)c1cc(ccc1)-c1cncnc1,1,YFSROEJZFCNGBG-UHFFFAOYSA-N,,,CHEMBL2177918,,366660.0
+[O][C][C][C][C][O][C][=N][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C],O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,1,TVDHOONBSNHWKJ-UHFFFAOYSA-O,,,,Cc1cc2cc(n1)OCCCCOc1cccc(c1)CC(C(O)C[NH2+]Cc1cccc(C(C)C)c1)NC2=O,
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][P][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][=C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][=Branch1][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)C(F)F)cc2)ccc1F)N,1,XKQTUWDTNXABGS-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(OC(F)(F)C(F)F)cn3)ccc2F)N=C(N)OCC1(F)F,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch2][Branch1][Ring1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C],S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C,1,SUBPLMSAMVHRTE-BSOCVHOGSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)O)cc(N3CCCCS3(=O)=O)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][C][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][Ring1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C)C,1,AOHCVFKYUINLAB-LUQZODMFSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)O)cc(N(C)S(C)(=O)=O)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch1][C][C][=C][C][Branch1][Branch1][O][C][C][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][C],S1(=O)(=O)CC(Cc2cc(OCCF)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,CZVMWVSTYZAQPV-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OCCF)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Branch2][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][C],S1(=O)(=O)CC(Cc2cc(OC(C)C)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,MJSZIFUBLNLANV-UHFFFAOYSA-O,,,,CC(C)Oc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N,
+[F][C][=C][C][=Branch1][=C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1cc(ccc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,NOEBJLGZGKXWLU-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccc(C(F)(F)F)c(F)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],s1cc(cc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,1,MMERFYVNJACFER-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-c3ccsc3)c2)CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch2][Ring1][=Branch1][NH2+1][C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][O][C][Ring2][Ring2][=Branch2],S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(OC(F)(F)F)ccc2)C1,1,OCEZDSXYNMWVGV-UHFFFAOYSA-O,,,,Nc1c(F)cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(OC(F)(F)F)c3)C2O)cc1OC(C(F)(F)F)C(F)(F)F,
+[Cl][C][=C][C][=Branch1][#C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=NH2+1][N][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][#N],Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N,1,QNSBKNRQYCQXMO-UHFFFAOYSA-O,,,,CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])NC(=O)Cn2ccc3ccc(C#N)cc32)cc1Cl,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1,1,CXEUFTZWBNRMFG-UHFFFAOYSA-O,,,,CCCCN(CCCC)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][Branch1][O][C][C][C][=C][Branch1][C][N][C][=C][Ring1][O][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][P],S1(=O)(=O)CC(Cc2cc(OCCC)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,UREAOAWEVOXGBP-UHFFFAOYSA-O,,,,CCCOc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)ccc1N,
+[Cl][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][#C][C][Branch1][O][N][=C][Branch1][C][N][C][O][C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][Ring1][#C],Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1,1,OKFGZBROUWWARI-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)COCC(N)=N1,
+[F][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],Fc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,1,LLVCNLGAWVMGGI-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(F)cc(C(C)(C)C)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][=N][=O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(CC2CC2)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,PZJBTJGORPCYGH-UHFFFAOYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(C)N2CCC(CC3CC3)(NC(C)=O)C2=O)c1,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][C][Branch1][N][N][=C][Branch1][C][N][C][C][O][C][Ring1][Branch2][C][=C][Branch1][C][F][C][=C][Ring1][S],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)CCOC2)C)c(F)cc1,1,WOZIINQXNVZSGZ-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)COCCC(N)=N1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][O][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(=O)NC1)c1cc(ccc1)C(C)(C)C,1,SEFLYBDZBZOYDE-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(=O)NC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)C,1,GKNIBSUYTAOBBL-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)C)c2)CCCCC1,
+[O][C][=N][C][=C][Branch2][Ring2][P][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][C][Ring2][Ring1][=C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2ccc(cc2)C#C)CC12CCC2)CC(C)(C)C,1,FUDKQBKYDLVSHY-UHFFFAOYSA-O,,,,C#Cc1ccc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)cc1,
+[S][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C],S1c2c(cc(cc2)-c2cc(ccc2)C#N)C2(N=C(N)N(C)C2=O)CC1(C)C,1,BHAHIONIGQVZOZ-UHFFFAOYSA-N,,,CHEMBL2349474,,382573.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][C][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CC)C,1,MBEIKKKHBAEUDD-UHFFFAOYSA-O,,,,CC[NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cc2c3c(c1)c(CC)cn3CCS(=O)(=O)N2C,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][O][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][=C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)=C)c1cc(ccc1)C(C)(C)C,1,KNYMCYLRHALMAT-UHFFFAOYSA-O,,,,C=C1CCC([NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CC1,
+[S][C][=C][Branch1][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C],S1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C,1,IZLPDQBUWJIUNQ-UHFFFAOYSA-N,,,CHEMBL2349479,,382578.0
+[F][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ncc(cc1)C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,GRVRRYKKHIRERQ-UHFFFAOYSA-O,,,,CC(C)(C)Cc1cnc2c(c1)C([NH2+]CC(O)C(Cc1ccc3c(c1)OCO3)NC(=O)c1ccc(F)nc1)CC1(CCC1)O2,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][O][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)C)c1cc(ccc1)C(C)(C)C,1,MWWAYKTUPXSPIX-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(C)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Ring1][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C@H1][Branch1][C][O][C][NH2+1][C][C][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]CCF)Cc1ccccc1)C,1,KDQRIUPZQXCNKH-SYIFMXBLSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]CCF)cc13)N(C)S(=O)(=O)CC2,
+[O][C][C][C][C][N][C][=C][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][O][C],O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC,1,JQKDSQXCKPYWPA-UHFFFAOYSA-O,,,,COCc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]C(C)(C)c1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2,
+[O][C][C][C][C][N][C][=C][C][=Branch2][Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][O][C],O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C)COC,1,PTOMBISXQDZHEZ-UHFFFAOYSA-O,,,,COCc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]C1(c3cccc(C(C)(C)C)c3)CCCC1)Cc1cccc(c1)OCCCCN2,
+[O][Branch1][Ring1][C][C][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(CC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,DXWZHAPHEZJJSL-UHFFFAOYSA-N,11611402.0,"cid is 11611402,compound_name is 2-amino-4-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11611402,Molecular_Weight is 416.5,XLogP3 is 2.9,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 6,Exact_Mass is 416.18484064,Monoisotopic_Mass is 416.18484064,Topological_Polar_Surface_Area is 90,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 671,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL566406,,206113.0
+[O][Branch1][Ring2][C][C][C][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(CCC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,YYSJAHZDJKNFJF-UHFFFAOYSA-N,11654876.0,"cid is 11654876,compound_name is 2-amino-4-(4-methoxy-3-propoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11654876,Molecular_Weight is 430.5,XLogP3 is 3.4,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 7,Exact_Mass is 430.20049070,Monoisotopic_Mass is 430.20049070,Topological_Polar_Surface_Area is 90,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 686,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL566407,,206114.0
+[O][Branch1][Branch1][C][C][C][C][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(CCCC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,YGOMBZILOXVUMF-UHFFFAOYSA-N,11510567.0,"cid is 11510567,compound_name is 2-amino-4-(3-butoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11510567,Molecular_Weight is 444.5,XLogP3 is 3.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 8,Exact_Mass is 444.21614077,Monoisotopic_Mass is 444.21614077,Topological_Polar_Surface_Area is 90,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 701,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL567061,,206126.0
+[F][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],Fc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,YWRKDNPWZYLYMH-UHFFFAOYSA-N,11632510.0,"cid is 11632510,compound_name is 2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11632510,Molecular_Weight is 390.4,XLogP3 is 2.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 4,Exact_Mass is 390.14920402,Monoisotopic_Mass is 390.14920402,Topological_Polar_Surface_Area is 80.8,""Unit"":""Ų"",Heavy_Atom_Count is 29,Formal_Charge is 0,Complexity is 644,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL566223,,206105.0
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,1,BYOHYWAJTOLKKC-UHFFFAOYSA-N,15951420.0,"cid is 15951420,compound_name is 2-Amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one,cid_paras is 15951420,Molecular_Weight is 360.4,XLogP3 is 2.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 3,Exact_Mass is 360.13863934,Monoisotopic_Mass is 360.13863934,Topological_Polar_Surface_Area is 71.6,""Unit"":""Ų"",Heavy_Atom_Count is 27,Formal_Charge is 0,Complexity is 591,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1092476,,216923.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][C][#N],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC#N,1,ULZNRCLZOZGAEO-OAQYLSRUSA-N,,,CHEMBL1270238,,232378.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][\C][=C][\C][C][C][O][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\CCCOC,1,OFPOWFKJFLXISF-KURNWNDPSA-N,,,CHEMBL1270729,,232643.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][\C][=C][\C][C][O],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\CCO,1,CFBIDEYPDUUIGT-XGLIRFAXSA-N,,,CHEMBL1270730,,232644.0
+[S][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=Branch1][Ring2][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][P][C][=C][C][Branch1][#Branch1][C][O][C][Ring2][Ring1][#Branch2][=C][C][=C][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)C)C(=O)NCc1ccccc1,1,MFTIFCUQYSAMLU-UHFFFAOYSA-N,,,,CC(C)SC(NC(=O)C(CC(O)C1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C)C(=O)NCc1ccccc1,
+[O][=C][Branch1][O][N][C][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],O=C(NCc1nccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1,YENQOHPBORWMLX-UHFFFAOYSA-N,,,,Cc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCc3cnccn3)cc2c1,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][F],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCF,1,WTRPZTMQYKOUOO-UHFFFAOYSA-N,,,CHEMBL1824337,,334045.0
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][Branch1][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][P][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)cc2)ccc1F)N,1,HNRVVAHVDIBECJ-UHFFFAOYSA-N,,,,COc1ccc(C(=O)Nc2ccc(F)c(C3(C)N=C(N)OCC3(F)F)c2)nc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][Ring2][=N][\O][C][/C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,1,NOHSCRMBTHXJAZ-MXTPMZTISA-O,,,,CON=C(C)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=C][C][C][=C][C][Branch1][Ring1][C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][NH1+1][Branch1][C][C][C][C][Branch1][C][F][=C][Ring1][S][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][=Branch1],S1(=O)(=O)CC(Cc2cc(CC)c(NC(=O)C[NH+](C)C)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,VCWNSMCBQGSOIZ-UHFFFAOYSA-P,,,,CCc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1NC(=O)C[NH+](C)C,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Ring1][=C][C][Branch1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][#C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2OC)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1,QOGMKCHLFNJYRM-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(Oc2ccccc2OC)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2,1,XLKDNRYXYLCLKU-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3ccccc3C[NH2+]2)C1=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Ring2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch2][=N][\O][C][C][Branch1][C][C][C][/C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\OCC(C)C)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1,VBJUCOJBBOEXIG-SJUSNGENSA-O,,,,CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(C(C)=NOCC(C)C)c1,
+[Br][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring2][O],Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O,1,YHCNHDIDECZSCA-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(O)c(Br)c3)C2O)c1,
+[Br][C][=C][C][=Branch1][#Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring2][O],Brc1cc(cc(F)c1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O,1,ZFYVKSUBHAFIJY-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(Br)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch1][C][C][=C][C][Branch1][Branch1][O][C][C][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][C],S1(=O)(=O)CC(Cc2cc(OCCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,YVVYDXSFDQXZJS-UHFFFAOYSA-O,,,,CCCOc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N,
+[F][C][Branch1][C][F][C][N][C][=Branch1][Branch1][=N][C][Ring1][#Branch1][C][Branch1][=Branch1][N][=C][Ring1][#Branch1][N][Branch1][P][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][O][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)C#CCCOC)c1ccc(OC(F)F)cc1,1,KCOKKZSYHQPAAF-UHFFFAOYSA-N,,,CHEMBL1957481,,345632.0
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][=N][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)F)cc2)ccc1F)N,1,MQEXMAQRIOGEIK-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(OC(F)(F)F)cn3)ccc2F)N=C(N)OCC1(F)F,
+[Cl][C][=C][C][=Branch1][#C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=NH2+1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][O],Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cc(cc2)C#N)cc1,1,KAVHCDJHTKRJHX-UHFFFAOYSA-O,,,,CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])NC(=O)Cn2ccc3cc(C#N)ccc32)cc1Cl,
+[F][C][Branch1][C][F][C][N][C][=Branch1][Branch1][=N][C][Ring1][#Branch1][C][Branch1][=Branch1][N][=C][Ring1][#Branch1][N][Branch2][Ring1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][O][C][C][C][F][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)C#COCCCF)c1ccc(OC(F)F)cc1,1,NHQHILLXJXDTPK-UHFFFAOYSA-N,,,,NC1=NC(c2ccc(OC(F)F)cc2)(c2cccc(C#COCCCF)c2)C2=NCC(F)(F)CN12,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Branch1][N][Branch1][C][C][C][=C][C][=Branch1][P][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch1][=N][\O][C][C][C][/C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C],S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,1,QXRYHWGTPQGAKD-MXTPMZTISA-O,,,,CCCON=C(C)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(N(C)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Ring1][N][Branch1][C][C][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][Ring2][=N][/O][C][/C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C],S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,1,PQYLHOJNCXAHKK-QQMLUANJSA-O,,,,CON=C(C)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(N(C)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][#Branch1][C][=C][C][=Branch2][Ring1][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][C][C][C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCCCC1)C,1,JFEIECKPYMIBAC-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CCCCC4)cc13)N(C)S(=O)(=O)C2,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1,1,OPSMDCTXTURNQW-UHFFFAOYSA-O,,,,NC1=[NH+]C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN21,
+[O][C][C][C][C][N][C][=C][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][O][C],O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)COC,1,QIDWHGYCMKSPBT-UHFFFAOYSA-O,,,,COCc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]Cc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2,
+[O][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(C(C)C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,WTQARMXDFIUYMM-UHFFFAOYSA-N,11539235.0,"cid is 11539235,compound_name is 2-amino-4-(3-isopropoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11539235,Molecular_Weight is 430.5,XLogP3 is 3.3,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 6,Exact_Mass is 430.20049070,Monoisotopic_Mass is 430.20049070,Topological_Polar_Surface_Area is 90,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 699,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL567687,,206131.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,1,JFVCKHOQNLFVNL-UHFFFAOYSA-N,,,CHEMBL567258,,206118.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1cc(cc(F)c1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,1,AYXHXAPMJNZSFH-UHFFFAOYSA-N,15951484.0,"cid is 15951484,compound_name is 2-Amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one,cid_paras is 15951484,Molecular_Weight is 378.4,XLogP3 is 2.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 3,Exact_Mass is 378.12921747,Monoisotopic_Mass is 378.12921747,Topological_Polar_Surface_Area is 71.6,""Unit"":""Ų"",Heavy_Atom_Count is 28,Formal_Charge is 0,Complexity is 614,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1091463,,216944.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,1,JFVCKHOQNLFVNL-OAQYLSRUSA-N,,,CHEMBL1271140,,232844.0
+[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC(F)(F)CCCc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,YRLBQVQPCPSMRE-OAQYLSRUSA-N,,,CHEMBL1270134,,232321.0
+[Br][C][=C][C][=Branch1][=N][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][O],Brc1cc(ccc1OC(=O)NC)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O,1,WLKPKWJBEUBAOG-UHFFFAOYSA-O,,,,CNC(=O)Oc1ccc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)cc1Br,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][C][C][C][Ring1][=Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,RYXMQHSUQKMLQC-UHFFFAOYSA-O,,,,CCCCC1CCN(C(C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)C1=O,
+[F][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Fc1ccc(OC)cc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,CHEJNLZFCWFZMD-UHFFFAOYSA-N,,,CHEMBL2349619,,382676.0
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][=Ring1][Branch2][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)C)c1cc(ccc1)-c1cncnc1,1,PWBMZGIIIRTNKV-UHFFFAOYSA-N,,,CHEMBL2177919,,366661.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOCC1)c1cc(ccc1)C(C)(C)C,1,HDMDKNWBBJEOCB-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCOCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][#Branch2][C][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][=Branch1][C][=O][C][NH1+1][Branch1][C][C][C][C][=C][Ring1][=C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring2],S1(=O)(=O)CC(Cc2cc(F)c(NC(=O)C[NH+](C)C)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,MPFKNFHORVXLRK-UHFFFAOYSA-P,,,,C[NH+](C)CC(=O)Nc1ccc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc1F,
+[O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#C][C][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][Ring1],Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1,1,AHRMUGFBTQOUNO-UHFFFAOYSA-N,,,CHEMBL2180014,,367682.0
+[F][C][=C][C][=Branch1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Fc1cc(cc(OC)c1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,LMVAIXZOTSBTQU-UHFFFAOYSA-N,,,CHEMBL2349618,,382675.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch2][C][Branch2][Ring1][Ring1][N][=C][Branch1][C][N][C][=C][Branch1][Ring2][C][Ring1][#Branch1][C][=C][C][=C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring1],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)c3c(C2)cccc3)C)c(F)cc1,1,HYYQMCVDWIIXHE-UHFFFAOYSA-N,,,CHEMBL2403757,,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Branch1][C][C][C][Branch1][Ring2][N][C][C][=C][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(C)c(NCC)c1)Cc1ccccc1,1,XSDWSIBQQPTUOF-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1C,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,KBLLATQOQMDKKW-UHFFFAOYSA-N,,,CHEMBL2349505,,382604.0
+[O][C][=N][C][=C][Branch2][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring2][Branch1][NH2+1][C][C][Branch1][C][O][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][C][C][C][Ring2][Ring2][C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2nccn2C)CC12CCC2)CC(C)(C)C,1,OWSUWCSVFOZIGR-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cccc(-c2nccn2C)c1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring1][N][Branch1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][=C][Branch1][C][F][C][=C][Ring1][P][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cc(F)cc2)C(O)C[NH2+]Cc1cc(OC)ccc1,1,BBQGGIINOAEODW-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccc(F)cc21,
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][Ring1][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(F)cc2)ccc1F)N,1,FBXUIKJIHZEJMQ-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N=C(N)OCC1(F)F,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][N][=N][\O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\OCc1ccccc1)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,1,RHTBDWUASNTDIZ-UVLLTXLESA-O,,,,CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(C(C)=NOCc2ccccc2)c1,
+[O][C][C][C][C][N][C][=C][C][=Branch2][Branch1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][O][C],O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C)COC,1,WTYHKZJTJZAMMO-UHFFFAOYSA-O,,,,COCc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]C1(c3cccc(C(C)(C)C)c3)CCC1)Cc1cccc(c1)OCCCCN2,
+[Cl][C][=C][N][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][#C][N][=C][Branch1][#Branch2][O][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][=C][Branch1][C][F][C][=C][Ring1][P],Clc1cnc(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1,1,CZXDOHMWCZCKBD-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ncc(Cl)cn3)ccc2F)N=C(N)OCC1(F)F,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][Branch1][C][O][C][C][C][C][Ring1][#Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,YCOXCOQIJGLYOQ-UHFFFAOYSA-O,,,,CCCC(O)C1CCN(C(C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)C1=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Branch2],S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1,1,BXBKECSXPXOHQB-UHFFFAOYSA-O,,,,CC(C)(C)c1ccnc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)C2O)c1,
+[O][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C],O1c2c(cc(cc2)-c2cc(OC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C,1,ZKJOZWMECIBIDN-UHFFFAOYSA-N,,,CHEMBL2349614,,382671.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC)cc1,1,PIONCLLNBJJWDA-UHFFFAOYSA-O,,,,COc1ccc(C2(c3cccc(-c4cccnc4F)c3)[NH+]=C(N)N3CCCN=C32)cc1,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2],O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,1,BGCGXOOJJMGOQV-UHFFFAOYSA-N,,,CHEMBL584694,,206079.0
+[O][Branch2][Ring2][#C][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1],O(c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1)C1CCCC1,1,SPQJQLMNHCRQEE-UHFFFAOYSA-N,11633904.0,"cid is 11633904,compound_name is 2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11633904,Molecular_Weight is 456.5,XLogP3 is 3.8,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 6,Exact_Mass is 456.21614077,Monoisotopic_Mass is 456.21614077,Topological_Polar_Surface_Area is 90,""Unit"":""Ų"",Heavy_Atom_Count is 34,Formal_Charge is 0,Complexity is 754,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL566638,,206135.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][=Branch2][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(C)C)N,1,WEPVSZQVQNITEF-UHFFFAOYSA-N,,,CHEMBL590492,,210841.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][C][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1nccnc1)c1ccncc1)N,1,RXUACQZGEBHKBX-UHFFFAOYSA-N,15951488.0,"cid is 15951488,compound_name is 2-amino-1-methyl-4-(3-(pyrazin-2-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one,cid_paras is 15951488,Molecular_Weight is 344.4,XLogP3 is 0.4,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 3,Exact_Mass is 344.13855916,Monoisotopic_Mass is 344.13855916,Topological_Polar_Surface_Area is 97.4,""Unit"":""Ų"",Heavy_Atom_Count is 26,Formal_Charge is 0,Complexity is 560,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1090026,,216988.0
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][C][N][=C][Branch1][Branch1][N][C][C][O][C][=C][Ring1][O][C][=Branch1][Branch1][=C][C][=Ring1][P][C][=C][C][=C][Branch1][#Branch2][O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N],Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(Oc2cncnc2)cc1,1,OBJNEXKJNRYAJJ-UHFFFAOYSA-N,,,CHEMBL1090543,,217674.0
+[F][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][F][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ccc(cc1OCC(F)F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,KIAGCWNNPCJGFV-LJQANCHMSA-N,,,CHEMBL1270339,,232436.0
+[F][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][F][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][O],Fc1ccc(cc1OCC(F)F)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1,1,WADUKYMEQUUKLV-HXUWFJFHSA-N,,,CHEMBL1270530,,232543.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][=Branch1][C][=O][O-1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(=O)[O-])C(O)C[NH2+]Cc1cc(OC)ccc1,1,UUOVISYEJOVKET-UHFFFAOYSA-N,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cc(C(=O)[O-])ccc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][Branch1][C][O][C][C][C][C][Ring1][#Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1,1,XCHFFXDCKJJIKQ-UHFFFAOYSA-O,,,,CCCOC1C[NH2+]C(C(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(C)N2CCC(C(O)CCC)C2=O)C1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][#Branch2][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N,1,RSBLHFREHLCSDX-UHFFFAOYSA-N,,,CHEMBL1824142,,333985.0
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,1,GCIHPVGAAJVLEF-UHFFFAOYSA-N,,,CHEMBL1824346,,334054.0
+[Br][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Branch2][C][NH2+1][C][C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1,1,GPDVLPBTNJAQJQ-UHFFFAOYSA-O,,,,O=C(C1C[NH2+]CC12CCCc1cc(Br)ccc12)N1CCC(c2ccccc2)CC1c1ccccc1,
+[O][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch2][Branch1][C][C][C],O1c2c(cc(cc2)-c2cc(OCC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C,1,YXCUYUJWKOPTTE-UHFFFAOYSA-N,,,CHEMBL2349493,,382592.0
+[S][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch2][Branch1][Ring2][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S][=C][Ring2][Ring2][Ring2][F],s1ccnc1-c1cccc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c1F,1,IVHJMOJHRRFXHT-UHFFFAOYSA-O,,,,COCC(=O)NC(Cc1cccc(-c2nccs2)c1F)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Ring1][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C@H1][Branch1][C][O][C][NH2+1][C][C][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]CC#C)Cc1ccccc1)C,1,BOWMTWSMHYUISC-XSWBTSGESA-O,,,,C#CC[NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cc2c3c(c1)c(CC)cn3CCS(=O)(=O)N2C,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch2][Ring1][Ring1][C][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(Nc2ncccc2)CC1)c1cc(ccc1)C(C)(C)C,1,GLCQSCJESVSJRT-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(Nc2ccccn2)CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCOC)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,ITIOBVQWVBSNLP-UHFFFAOYSA-O,,,,COCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cccnc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],S1(=O)(=O)N(CCCC1)c1cc(ccc1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1,1,NEMXZEGROCPRLB-UHFFFAOYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],FC(F)(F)c1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,ZKNFURWSEBVNEE-UHFFFAOYSA-N,,,CHEMBL2349494,,382593.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#Branch2][N][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C],S(=O)(=O)(N(C)c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,1,WMDLKMJFPVHZPM-UIOOFZCWSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=N][C][C][=C][C][Branch1][N][O][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][#C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Branch1],S1(=O)(=O)CC(Cc2cc(OCCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,HCNAIANLPZIMKT-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(OCCC(F)(F)F)c3)C2O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][S][N][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1,1,WPFRSKLWUXEGKP-UHFFFAOYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(CCc2ccccc2)N2CCC(C(C)C)C2=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][C][N][Branch1][C][C][C][=C][C][=Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][Ring1][=N][\O][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C],S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,1,GDMSIYPFSHHIGS-KNDIWIDUSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=NO)cc(N(C)S(C)(=O)=O)c2)c1,
+[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][NH2+1][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][S],Fc1ccccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2,1,NAPFTANQOOCSJB-UHFFFAOYSA-O,,,,CC(C)(C)Cc1cnc2c(c1)C([NH2+]CC(O)C(Cc1ccc3c(c1)OCO3)NC(=O)c1ccccc1F)CC1(CCC1)O2,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(OC)c1)C(C)(C)C,1,TXALSADLOJSTLV-UHFFFAOYSA-O,,,,COc1cc(C(C)(C)C)cc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][S][C][C][=C][C][Branch1][#C][C][C][Branch1][Ring1][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][S][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][=Branch1],S1(=O)(=O)CC(Cc2cc(CC(OC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,ODSVQQSZOQPNMO-UHFFFAOYSA-O,,,,COC(Cc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=N][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=Branch1][Ring2][=C][Ring1][=Branch2][C],Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1nc(C)c(OC)c(c1)C,1,DJUIWDIVXGOXBA-UHFFFAOYSA-N,,,CHEMBL2177917,,366659.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][N][Branch1][=C][C][=C][Branch1][Branch1][C][C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][S][C@H1][Branch1][C][O][C][NH2+1][C][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC(F)(F)F)Cc1ccccc1)C,1,RSFSVTXVNZOHJN-GWQXNCQPSA-O,,,,CCn1cc2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]CC(F)(F)F)cc31)N(C)S(=O)(=O)CC2,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][Branch2][C][O][C][=C][C][=Ring1][Branch1][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)CC(Cc2cc(-c3occc3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,YBNSYBGLSOPBBM-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(-c4ccco4)c3)C2O)c1,
+[Br][C][=C][C][N][Branch1][#Branch2][C][=C][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=Branch1][C][=NH2+1][N][C][C][=C][C][Branch1][C][Cl][=C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][Cl][=C][Ring1][N],Brc1cc2n(ccc2cc1)CC(=O)NC(=[NH2+])NCc1cc(Cl)c(NC(=O)C)c(Cl)c1,1,INRKOUHWJYTGJG-UHFFFAOYSA-O,,,,CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])NC(=O)Cn2ccc3ccc(Br)cc32)cc1Cl,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][Branch1][Ring2][O][C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][N],Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(OCC)c(OCC)cc1,1,TWIURROXDBTAGU-UHFFFAOYSA-O,,,,CCOc1ccc(C2(c3cccc(-c4cccnc4F)c3)[NH+]=C(N)N3CCCN=C32)cc1OCC,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][NH1+1][=C][Branch1][#Branch2][N][C][Ring1][Branch1][=N][C][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCC2)N)c1ccc(OC(F)(F)F)cc1,1,ZASDNILYUCOUST-UHFFFAOYSA-O,,,,NC1=[NH+]C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCN21,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][P][NH1+1][=C][Branch1][N][N][C][Ring1][Branch1][=N][C][C][C][C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1,1,AMHTVOUZASNVCQ-UHFFFAOYSA-O,,,,NC1=[NH+]C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCCN21,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Branch1][=N][C@@][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][N],O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C)N,1,WVICKDVVFIIGRI-FQEVSTJZSA-N,15950667.0,"cid is 15950667,compound_name is rac-2-amino-1-methyl-4-(2-methylpyridin-4-yl)-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 15950667,Molecular_Weight is 358.4,XLogP3 is 1.2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 3,Exact_Mass is 358.15420922,Monoisotopic_Mass is 358.15420922,Topological_Polar_Surface_Area is 97.4,""Unit"":""Ų"",Heavy_Atom_Count is 27,Formal_Charge is 0,Complexity is 589,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL598258,Cc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)ccn1,210812.0
+[F][C][C][C][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FCCCC(=O)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,PRNMLFQWYSZETJ-OAQYLSRUSA-N,,,CHEMBL1270239,,232379.0
+[F][C][C][C][C@@H1][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FCCC[C@@H](F)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,YLNRJQOYJWXWBO-DYESRHJHSA-N,,,,CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(C(F)CCCF)c2)N=C1N,
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)Oc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1,1,DIBLNVRMNVPDAB-SFHVURJKSA-N,,,CHEMBL1270431,,232486.0
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][Branch1][C][C][C],Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C,1,VGIXLLYAMZATOQ-UHFFFAOYSA-N,,,CHEMBL1824137,,333980.0
+[S][C][=C][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],s1cc(cc1CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,1,GAYCZOAOOLHOPO-UHFFFAOYSA-N,,,CHEMBL1824349,,334057.0
+[Cl][C][S][C][=C][Branch1][Ring2][C][=Ring1][Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],Clc1scc(c1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,1,ABAOMGTVATUZIR-UHFFFAOYSA-N,,,CHEMBL1824351,,334059.0
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][Ring1][NH2+1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][Ring2][Ring2][=Branch1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(OC(C)C)ccc2)C1,1,VDLAKWBRPSVZBP-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]Cc3cccc(OC(C)C)c3)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC,1,ZALSNXMIQONDPE-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]C2(c3cccc(CC)c3)CC2)c2cccnc21,
+[O][C][C][C][C][O][C][=N][C][=Branch2][Branch1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C],O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)c1cc(ccc1)C(C)C)C,1,WRDFTFAHALVDPT-UHFFFAOYSA-O,,,,Cc1cc2cc(n1)OCCCCOc1cccc(c1)CC(C(O)C[NH2+]C(C)c1cccc(C(C)C)c1)NC2=O,
+[S][C][=C][N][=C][Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Branch1][=Branch1][C][C][Ring2][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],s1ccnc1NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C,1,BDZAYXOEDMOMSF-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(Nc2nccs2)CC1,
+[S][Branch2][Branch1][#Branch2][O][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][S][C@H1][Branch1][C][O][C][NH2+1][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=Branch1][C][=O][=O],S1(Oc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]CC1CCOCC1)Cc1ccccc1)(=O)=O,1,PYDKHSBECDQDOY-FXDYGKIASA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]CC4CCOCC4)cc13)OS(=O)(=O)CC2,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1],Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C1CC1,1,HLZIYZMSCOXBTI-UHFFFAOYSA-N,,,CHEMBL2177113,,366653.0
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][O][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][#C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2occ(c2c1)CC)Cc1ccccc1,1,LXQLUGGTPKXSBK-UHFFFAOYSA-O,,,,CCc1coc2c(N3CCCC3=O)cc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc12,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][C][C][C][Ring1][=Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1,1,NCNBQNSEYDEPDM-UHFFFAOYSA-O,,,,CCCCC1CCN(C(C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(OCCC)C[NH2+]2)C1=O,
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][Ring1][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][S][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C)ccc1F)N,1,ZCNHRJGLINKQLI-UHFFFAOYSA-N,,,,Cc1ccc(C(=O)Nc2ccc(F)c(C3(C)N=C(N)OCC3(F)F)c2)nc1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][O][C][Ring1][Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1,1,MERCNGFJQWZGEA-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCOC3)c2)CCCCC1,
+[O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C,1,NPNWFUIRKKRIEZ-UHFFFAOYSA-N,,,CHEMBL1821822,,333160.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][P][N][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,1,CDPZXZPLCSENLY-UHFFFAOYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(C)N2CCC(CC(C)C)C2=O)c1,
+[F][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][N][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1,1,QPJHVYYOFCYPRT-UHFFFAOYSA-N,,,CHEMBL1957468,,345618.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch2][Branch1][Ring1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C],S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C,1,JHZYSXKIQWSRHE-KYJUHHDHSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=O)cc(N3CCCCS3(=O)=O)c2)c1,
+[O][Branch1][C][C][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,VJMOHDYSQCGYSS-UHFFFAOYSA-N,11589453.0,"cid is 11589453,compound_name is 2-amino-4-(3,4-dimethoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11589453,Molecular_Weight is 402.4,XLogP3 is 2.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 5,Exact_Mass is 402.16919058,Monoisotopic_Mass is 402.16919058,Topological_Polar_Surface_Area is 90,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 656,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL566403,,206111.0
+[O][C][C][O][C][=C][Ring1][=Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O1CCOc2c1cc(cc2)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,1,ZREWWVASMZJDGY-UHFFFAOYSA-N,11654224.0,"cid is 11654224,compound_name is 2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11654224,Molecular_Weight is 400.4,XLogP3 is 2.3,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 3,Exact_Mass is 400.15354051,Monoisotopic_Mass is 400.15354051,Topological_Polar_Surface_Area is 90,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 685,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL584917,,206097.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCC,1,VMBIBWHPLPIGJF-HXUWFJFHSA-N,,,CHEMBL1270026,,232272.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][C][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCCC,1,GPIGHALYCORADP-JOCHJYFZSA-N,,,CHEMBL1270027,,232273.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][\C][=C][\C][C][C][Ring1][Ring1],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\C1CC1,1,FTTYYLWQRQSZMF-VQKOGROQSA-N,,,CHEMBL1270434,,232489.0
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][=N],s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(F)cc1,1,SXYPETJOWBBGQK-UHFFFAOYSA-N,,,CHEMBL1824356,,334064.0
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][=C][Ring1][=Branch1],s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1nccnc1,1,NXXHXFSKVSTXAG-UHFFFAOYSA-N,,,CHEMBL1824359,,334067.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][O][C][C][Ring1][=Branch1],S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1,1,GSMXCHRMEXPRGE-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CCOCC2)cc(N2CCCCS2(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][S][C][=C][C][=Branch2][Ring1][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C],S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C,1,POGMNGBOVVGHGD-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C)cc13)N(C)S(=O)(=O)C2,
+[O][C][=N][C][=C][Branch2][Ring2][O][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2][C][C][C][Ring1][Ring2][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC,1,MVNAHFXMFHZPRR-UHFFFAOYSA-O,,,,CCc1cnc2c(c1)C([NH2+]CC(O)C(Cc1ccccc1)NC(C)=O)CC1(CCC1)O2,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][S][N][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1)C1(N=C(N2C1=NCCC2)N)c1cc(ccc1)-c1cccnc1,1,LJKICLTUWIMCPE-UHFFFAOYSA-N,,,,COc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N3CCCN=C32)cc1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][P][C][C][C][=N][C][=Branch1][=Branch2][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)C)c1cc(ccc1)C(C)(C)C,1,XDGLKEPBKNWNMG-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCc2nc(C)ncc2C1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][S][N][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2][C],S(=O)(=O)(Nc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C,1,FNQGRLXOQONVJG-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(NS(C)(=O)=O)cc(C(C)(C)C)c2)CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][#Branch1][C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][O][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][P],S1(=O)(=O)CC(Cc2cc(C3CC3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,DGWCWEHCOJXRCG-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(C4CC4)c3)C2O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][C][C][C][Ring1][=Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][Branch1][C][O][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(O)C1,1,SREKHYYKSXMTLV-UHFFFAOYSA-O,,,,CCCCC1CCN(C(C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CC(O)C[NH2+]2)C1=O,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring2][C][Branch1][S][N][=C][Branch1][C][N][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][Ring2][C][=C][Branch1][C][F][C][=C][Ring1][S],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C3C(C2)C3)C)c(F)cc1,1,MELPDVINWCDKRF-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CC2CC2C(N)=N1,
+[O][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][O][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][N],O(C)c1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N,1,XRTJBGHFZMXONU-UHFFFAOYSA-N,,,CHEMBL1821828,,333167.0
+[O][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1,1,GWWAWENWSRQRAM-UHFFFAOYSA-N,,,CHEMBL2180027,,367694.0
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Fc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,1,JFRILJOYQQJENP-UHFFFAOYSA-N,,,CHEMBL2349497,,382596.0
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1)[C@@]1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)-c1cncnc1,1,LSPPQVUEXNMTCS-HSZRJFAPSA-O,,,,COc1ccc(C2(c3cccc(-c4cncnc4)c3)[NH+]=C(N)N3CCCN=C32)cc1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][=N][C][C][C][Branch1][Ring2][N][O][C][C][C][Ring1][=Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NOC)CC1)c1cc(ccc1)C(C)(C)C,1,ZPEPUUZZYFRKHZ-UHFFFAOYSA-O,,,,CONC1CCC([NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CC1,
+[O][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][=Branch1],o1cccc1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1,1,JSEJOHYXWOWWPR-UHFFFAOYSA-N,,,CHEMBL590829,,206949.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Branch1][=N][C@@][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][N],O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cccnc1)c1cc(ncc1)C)N,1,DCYJRONKTIQNEU-NRFANRHFSA-N,15950595.0,"cid is 15950595,compound_name is rac-2-amino-1-methyl-4-(2-methylpyridin-4-yl)-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 15950595,Molecular_Weight is 357.4,XLogP3 is 1.9,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 3,Exact_Mass is 357.15896025,Monoisotopic_Mass is 357.15896025,Topological_Polar_Surface_Area is 84.5,""Unit"":""Ų"",Heavy_Atom_Count is 27,Formal_Charge is 0,Complexity is 593,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL598257,Cc1cc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)ccn1,210811.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)=C,1,DRMYJMOXBWLRAA-UHFFFAOYSA-O,,,,C=C(C)c1cccc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1,
+[F][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][O][C][C][C][C][F][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ccc(cc1OCCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,1,VRIMUGPJBNOXQZ-OAQYLSRUSA-N,,,CHEMBL1270135,,232322.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Ring2][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C)N,1,CORGHEXKCNZSJU-UHFFFAOYSA-N,,,CHEMBL1824133,,333976.0
+[F][C][Branch1][C][F][C][N][C][=Branch1][Branch1][=N][C][Ring1][#Branch1][C][Branch1][=Branch1][N][=C][Ring1][#Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1,1,VTIOIFVOIUBNKP-UHFFFAOYSA-N,,,CHEMBL1957473,,345624.0
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][#Branch1][C][C][=C][C][Branch1][=Branch1][O][C][C][O][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)CC(Cc2cc(OCCOC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,1,OWRCJHJKEDPHJO-UHFFFAOYSA-O,,,,COCCOc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N,
+[S][C][=C][Branch2][Ring2][#C][C][=C][Ring1][Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C],s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C,0,HPRGPIBWFPUGCR-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(C(C)(C)C)cs2)CCCCC1,
+[Br][C][=C][C][=C][Branch2][Ring2][#Branch2][N][Branch1][Branch1][C][=C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=NH2+1][N][C][C][=C][C][Branch1][C][Cl][=C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][Cl][=C][Ring1][N][C][=C][Ring2][Ring1][=N],Brc1cc2c(n(cc2)CC(=O)NC(=[NH2+])NCc2cc(Cl)c(NC(=O)C)c(Cl)c2)cc1,0,PVNLTQQCSIIHMT-UHFFFAOYSA-O,,,,CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])NC(=O)Cn2ccc3cc(Br)ccc32)cc1Cl,
+[O][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1],O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cncnc1,0,QZGOMZOGZCMFCJ-UHFFFAOYSA-N,,,CHEMBL2177339,,366364.0
+[F][C][Branch1][C][F][C][N][C][=Branch1][Branch1][=N][C][Ring1][#Branch1][C][Branch1][=Branch1][N][=C][Ring1][#Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1],FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1,0,SBEZWYLMOCADFN-UHFFFAOYSA-N,,,CHEMBL1957472,,345623.0
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][=C][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Branch1][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)cc2)ccc1F)N,0,QIDZVQSSIOGZDK-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc2F)N=C(N)OCC1(F)F,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Branch1][Ring1][O][C][C][Branch1][Ring2][N][C][C][=C][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(OC)c(NCC)c1)Cc1ccccc1,0,GKNLPEWXTIMDRO-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1OC,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][C][N][=C][Branch1][Branch1][O][C][C][O][C][=C][Ring1][O][C][=Branch1][Branch1][=C][C][=Ring1][P][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][C][C][=C][Ring1][N],Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1,0,PDJLJWDUNPWSBA-UHFFFAOYSA-N,11504350.0,"cid is 11504350,compound_name is 2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-yloxy)ethanol,cid_paras is 11504350,Molecular_Weight is 506.0,XLogP3 is 5.9,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 12,Exact_Mass is 505.2132196,Monoisotopic_Mass is 505.2132196,Topological_Polar_Surface_Area is 82.5,""Unit"":""Ų"",Heavy_Atom_Count is 36,Formal_Charge is 0,Complexity is 621,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1093807,,217638.0
+[S][C][=C][Branch1][Branch1][N][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0,WWYQZCKTIDDNOQ-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-c3cscn3)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Branch1][Branch2][N][N][=C][C][=C][Ring1][Branch1][=C][C][=C][Ring1][O],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1,0,UDAQMKVSZXLZGC-LOSJGSFVSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-n3cccn3)c2)CCOCC1,
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C@@H1][Branch1][Ring1][C][C][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C[C@@H](CC)C,0,QAQMQLZJRPSYPZ-JLCFBVMHSA-N,,,,CCC(C)Cc1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][P][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch1][=N][\O][C][C][=C][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,0,AHHZRVFNARGXOU-IDSMPRAMSA-O,,,,C=CCON=C(C)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1,
+[O][C][=C][Branch1][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C],O1c2c(cc(cc2)-c2cccnc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,IVIUBEQESHCKKY-UHFFFAOYSA-N,,,CHEMBL2349501,,382600.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][O][=C][C][Branch1][Ring2][N][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1],S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1,0,AMVDNFIQANYLEW-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)cc(N2CCCCS2(=O)=O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][O][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(=O)CC1)c1cc(ccc1)C(C)(C)C,0,KINUYGKZQPWLLK-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(=O)CC1,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,0,LBTDLQNIKCPSHI-UHFFFAOYSA-N,11553983.0,"cid is 11553983,compound_name is 2-amino-4-(3-cyclopentyl-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11553983,Molecular_Weight is 440.5,XLogP3 is 4.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 5,Exact_Mass is 440.22122615,Monoisotopic_Mass is 440.22122615,Topological_Polar_Surface_Area is 80.8,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 736,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL565790,,206086.0
+[O][C][C][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O1CCc2cc(ccc12)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,0,VACMQJOAIDVTHB-UHFFFAOYSA-N,11668120.0,"cid is 11668120,compound_name is 2-amino-4-(2,3-dihydrobenzofuran-5-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11668120,Molecular_Weight is 384.4,XLogP3 is 2.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 3,Exact_Mass is 384.15862589,Monoisotopic_Mass is 384.15862589,Topological_Polar_Surface_Area is 80.8,""Unit"":""Ų"",Heavy_Atom_Count is 29,Formal_Charge is 0,Complexity is 667,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL566414,,206092.0
+[O][C][Branch2][Ring2][=Branch2][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C],OC(C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)C)CC(C)C)CC(C(=O)NCCCC)C,0,YBUAWZQWIXYUFU-UHFFFAOYSA-N,,,,CCCCNC(=O)C(C)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(C)=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][=C][O][C][=Ring1][Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)-c1ccoc1,0,RYYWVRRAUVZHKS-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-c3ccoc3)c2)CCCCC1,
+[F][C][=C][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][O][C][C][F][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ccc(cc1OCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,0,GAFZVIRMFXBSMI-LJQANCHMSA-N,,,CHEMBL1270028,,232274.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring1][N][Branch1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][=C][Branch1][Branch1][C][=C][Ring1][S][C][#N][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cc(cc2)C#N)C(O)C[NH2+]Cc1cc(OC)ccc1,0,MGPPJHFOXBDBRG-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccc(C#N)cc21,
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][F],Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F,0,FCWFCMGXLUBIQD-UHFFFAOYSA-N,15950085.0,"cid is 15950085,compound_name is 2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-4-one,cid_paras is 15950085,Molecular_Weight is 433.4,XLogP3 is 1.4,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 9,Rotatable_Bond_Count is 4,Exact_Mass is 433.12742078,Monoisotopic_Mass is 433.12742078,Topological_Polar_Surface_Area is 102,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 714,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1824136,,333979.0
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][NH1][C][=C][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring2],S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC(F)(F)F)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,OXBSBQCQNMHCTP-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc4[nH]cc(CC(F)(F)F)c4c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][O][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=Branch2][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][#C],S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,ULUXWXNJGWECOH-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(O)c(N)c(F)c3)C2O)c1,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch2][C][Branch2][Ring1][Ring1][O][C][=C][Branch1][#Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][Ring2][=N][Ring1][#Branch2][N][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring1],Clc1ccc(nc1)C(=O)Nc1cc(C2(Oc3c(cccc3)C(=N2)N)C)c(F)cc1,0,VPRIEZAAWFVLOJ-UHFFFAOYSA-N,,,CHEMBL2403775,,389369.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][NH3+1][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C([NH3+])C)C(O)C[NH2+]Cc1cc(OC)ccc1,0,HENCXFZEUKJRBP-UHFFFAOYSA-P,,,,CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(C(C)[NH3+])c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][C][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][Ring1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)C,0,MVNBIYWBFZDBIH-NSOVKSMOSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=O)cc(N(C)S(C)(=O)=O)c2)c1,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1,0,JTYGZAPMRYLRCN-UHFFFAOYSA-N,,,CHEMBL2177309,,366333.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][S][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C],S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C,0,LWYYRFSTHDYJTQ-UHFFFAOYSA-O,,,,COc1ccccc1N(c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C)C(=O)NC2CCCCC2)c1)S(C)(=O)=O,
+[O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][#C][C][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][Ring1],Oc1ccc(cc1-c1nccc(c1)C#CC)C1(N=C(C)C(=N1)N)C1CC1,0,FXVJITQJGQEANW-UHFFFAOYSA-N,,,CHEMBL2180015,,367683.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Fc1ncccc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,0,DHZIIPKFSBNMSF-UHFFFAOYSA-N,,,CHEMBL2349507,,382606.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch2][Ring1][C][NH1+1][=C][Branch1][=N][N][C][Ring1][Branch1][=N][C][C][C][C][C][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCCCC2)N)c1ccc(OC(F)(F)F)cc1,0,UFMYOISPMQWRNH-RUZDIDTESA-O,,,,NC1=[NH+]C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCCCN21,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][N][C],O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C,0,AIBQLQGSZCUSCL-UHFFFAOYSA-N,11538592.0,"cid is 11538592,compound_name is 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(4-methyl-3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11538592,Molecular_Weight is 400.5,XLogP3 is 3.2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 4,Exact_Mass is 400.18992602,Monoisotopic_Mass is 400.18992602,Topological_Polar_Surface_Area is 80.8,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 668,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL565995,,206087.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][C][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC1(c1cc(ccc1)-c1ccccc1)c1ccncc1)N,0,RDWGKVFCNRXSNW-UHFFFAOYSA-N,15951416.0,"cid is 15951416,compound_name is 2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one,cid_paras is 15951416,Molecular_Weight is 342.4,XLogP3 is 2.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 3,Exact_Mass is 342.14806121,Monoisotopic_Mass is 342.14806121,Topological_Polar_Surface_Area is 71.6,""Unit"":""Ų"",Heavy_Atom_Count is 26,Formal_Charge is 0,Complexity is 550,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL598876,,210809.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(CC)(C)C,0,HYRLUFRAIZNHCE-UHFFFAOYSA-O,,,,CCC(C)(C)c1cccc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Branch2][C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][=C][Ring1][N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][C],S1(=O)(=O)CC(Cc2cc(OC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,WXCDYKNOGRLTKM-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(N)c(OC(F)(F)F)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][Ring2][C][C][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][O][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][P],S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,YLUTXNNOPWYZFR-UHFFFAOYSA-O,,,,CCCc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][N][C][C][=C][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring2],S1(=O)(=O)CC(Cc2cc(CCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,ZQEYWHUMECPRLK-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(CCC(F)(F)F)c3)C2O)c1,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,NKHRLQPRZCHQJE-UHFFFAOYSA-N,,,CHEMBL2177325,,366350.0
+[S][C][=C][Branch2][Ring2][#C][C][=C][Ring1][Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2][C][C][Branch1][C][C][Branch1][C][C][C],s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C,0,BCXQPMIEEJGADO-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(CC(C)(C)C)cs2)CCCCC1,
+[F][C][Branch1][C][F][Branch1][C][F][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][S][N][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],FC(F)(F)c1nccc(c1)C1(N=C(N)c2c1cccc2)c1cc(ccc1)-c1cncnc1,0,JLXRYBDDOAPKHW-UHFFFAOYSA-N,,,CHEMBL2177308,,366332.0
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1,0,SMSWJWMOZMPDKT-UHFFFAOYSA-N,,,CHEMBL2177916,,366658.0
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][N][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(F)cnc1)c1ccncc1,0,HLWMPHXAKRXVIS-UHFFFAOYSA-N,,,CHEMBL2177905,,366647.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][#C][C][Branch1][O][N][=C][Branch1][=Branch1][O][C][C][Ring1][=Branch1][N][C][=C][Branch1][C][F][C][=C][Ring1][#C],Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(OCC2)N)C)c(F)cc1,0,HIFMUVLULGJLTJ-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCOC(N)=N1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][O][N][=C][Branch1][Ring2][C][=Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1onc(c1)CC(C)(C)C,0,DDSJVMZLEUXJNA-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(CC(C)(C)C)no2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][N][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(OC)CC1)c1cc(ccc1)C(C)(C)C,0,RLUCPTDCKJOILG-UHFFFAOYSA-O,,,,COC1CCC([NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][Branch1][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][#Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch2][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,DAHXZLFDWYWHRO-UHFFFAOYSA-N,,,,COc1ccc(COCC(CC(O)C(COc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)NC(C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)OC)cc1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][#Branch1][=N][C@][Ring1][=Branch1][Branch1][#C][C][=C][C][=Branch1][=Branch2][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][N],O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)C)c1cc(ccc1)-c1cncnc1)N,0,AZEJJBDMXZISKY-NRFANRHFSA-N,15950662.0,"cid is 15950662,compound_name is rac-2-amino-4-(2,6-dimethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 15950662,Molecular_Weight is 372.4,XLogP3 is 1.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 3,Exact_Mass is 372.16985928,Monoisotopic_Mass is 372.16985928,Topological_Polar_Surface_Area is 97.4,""Unit"":""Ų"",Heavy_Atom_Count is 28,Formal_Charge is 0,Complexity is 608,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL597062,Cc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(C)n1,210842.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C,0,PJNDAZQEJOLDIW-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CC1,
+[S][C][=C][Branch1][=Branch1][C][=C][Ring1][Branch1][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,0,UDYLXYFIJLPZAV-UHFFFAOYSA-N,,,CHEMBL1824347,,334055.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C@H1][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1][O][C],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC,0,PBXQNTXVQOUXNO-DIYYBOEOSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3cccc(OC)c3C[NH2+]2)C1=O,
+[Br][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring2][O],Brc1cc(ccc1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O,0,BKXQIIZJPNDNCG-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(N)c(Br)c3)C2O)c1,
+[O][C][=N][C][=C][Branch2][Branch1][Ring2][C][=C][Ring1][=Branch1][C][Branch2][Ring2][C][NH2+1][C][C][Branch1][C][O][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][#C][C][C][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C],O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C(C)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C,0,NJCPSTDAZOLOFF-UHFFFAOYSA-O,,,,CC(C)C(=O)NC(Cc1ccc2c(c1)OCO2)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,
+[F][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],Fc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,0,VXJSSKWZJQSEGW-UHFFFAOYSA-N,,,CHEMBL2349606,,382663.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Ring1][C][=C][Branch1][=Branch1][C][C][C][Ring1][=Branch2][C][Branch1][Ring2][N][C][C][=C][C][=Branch1][Ring2][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C],S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C,0,HALKXQJKSWVOGT-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)cc2c1CCCS(=O)(=O)N2C,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,0,OHTIBTGUVJBMTO-UHFFFAOYSA-N,11639859.0,"cid is 11639859,compound_name is 5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)phenyl)-4,5-dihydro-1H-imidazol-4-yl)-2-methoxybenzonitrile,cid_paras is 11639859,Molecular_Weight is 397.4,XLogP3 is 2.2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 4,Exact_Mass is 397.15387487,Monoisotopic_Mass is 397.15387487,Topological_Polar_Surface_Area is 105,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 730,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL568114,,206136.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Branch2][=N][C@][Ring1][=Branch1][Branch1][S][C][=C][C][=Branch1][=Branch2][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][N],O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)CC)c1cc(ccc1)-c1cncnc1)N,0,YWXKDGOOFUZNNG-QFIPXVFZSA-N,,,CHEMBL603664,CCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(C)n1,210843.0
+[O][C][Branch2][Ring2][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][C][C][Ring1][=Branch1][C][Branch1][O][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C,0,LVGZIFOZGQDLRO-UHFFFAOYSA-O,,,,CCC(=O)N(C)C(C)(C)C1CCCC(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(C)C)c2)C1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][Branch1][C][C][C][C][=C][Branch1][C][O][C][=C][Ring1][O][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][S],S1(=O)(=O)CC(Cc2cc(CCCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0,COSNLASPZRJXQX-UHFFFAOYSA-O,,,,CCCCc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)ccc1O,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)CC(Cc2cc(-c3ccoc3)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,OVECGFUVEQTVAK-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c(N)c(-c4ccoc4)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Branch1][N][Branch1][C][C][C][=C][C][=Branch1][P][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch1][=N][\O][C][C][=C][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C],S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,0,CALKIYRQFCXOGT-MGGBLGFTSA-O,,,,C=CCON=C(C)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)cc(N(C)S(C)(=O)=O)c1,
+[O][C][=C][Branch1][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C],O1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,QVGLQSOIBUMPNK-UHFFFAOYSA-N,,,CHEMBL2349607,,382664.0
+[Cl][C][=C][N][Branch2][Ring2][#Branch2][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][#C][N][=C][Branch1][#Branch2][O][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][=C][Branch1][C][F][C][=C][Ring1][P][C],Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C,0,YAOLSFUTRVAXLB-UHFFFAOYSA-N,,,,Cn1cc(Cl)c(C(=O)Nc2ccc(F)c(C3(C)N=C(N)OCC3(F)F)c2)n1,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2],Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1,0,KRRNBJQBFJHWFJ-UHFFFAOYSA-O,143168781.0,"Complexity is 790.0,Compound_Is_Canonicalized is Yes,Covalently_Bonded_Unit_Count is 1,Defined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Exact_Mass is 430.16792809,Formal_Charge is 1,Heavy_Atom_Count is 32,Hydrogen_Bond_Acceptor_Count is 5,Hydrogen_Bond_Donor_Count is 2,Isotope_Atom_Count is 0,Molecular_Weight is 430.5,Monoisotopic_Mass is 430.16792809,Rotatable_Bond_Count is 3,Topological_Polar_Surface_Area is 84.8,""Unit"":""Ų"",Undefined_Atom_Stereocenter_Count is 1,Undefined_Bond_Stereocenter_Count is 0,XLogP3 is 2.7,cid is 143168781,cid_paras is 143168781,compound_name is 8-(1,3-Benzodioxol-5-yl)-8-[3-(2-fluoropyridin-3-yl)phenyl]-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-5-ium-6-amine",,NC1=[NH+]C(c2cccc(-c3cccnc3F)c2)(c2ccc3c(c2)OCO3)C2=NCCCN21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(c1)C(=O)C)C(C)(C)C,0,WSTPAMKJZDFYIN-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(C(C)=O)cc(C(C)(C)C)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1,0,NNLBLBAESXNJNX-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cc(C(F)(F)F)ccc21,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][S][N][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][Branch1][Branch1][O][C][C][C][C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1,0,IBXXTGWKFIXDPT-UHFFFAOYSA-O,,,,CCCOC1C[NH2+]C(C(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(C)N2CCC(C(C)C)C2=O)C1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C#N)(C)C,0,HDLQUIILQOTKOY-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C#N)c2)CCCCC1,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][C][N][=C][Branch1][Branch1][N][C][C][O][C][=C][Ring1][O][C][=Branch1][Branch1][=C][C][=Ring1][P][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][C][C][=C][Ring1][N],Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1,0,JUOGTZUVNDFPCE-UHFFFAOYSA-N,11684817.0,"cid is 11684817,compound_name is 2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-ylamino)ethanol,cid_paras is 11684817,Molecular_Weight is 505.0,XLogP3 is 5.9,Hydrogen_Bond_Donor_Count is 3,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 12,Exact_Mass is 504.2292040,Monoisotopic_Mass is 504.2292040,Topological_Polar_Surface_Area is 85.3,""Unit"":""Ų"",Heavy_Atom_Count is 36,Formal_Charge is 0,Complexity is 620,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1089186,,217639.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(O)c1)C(C)(C)C,0,ACFCAAGMGYDSTG-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(O)cc(C(C)(C)C)c2)CCCCC1,
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1,0,KODRKDOVQWYORQ-KRWDZBQOSA-N,,,CHEMBL1271343,,232935.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][S][N][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,0,UQKUYECLNCZEAK-UHFFFAOYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)C(C)N2CCC(C(C)C)C2=O)c1,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1,0,JGYNJPZQUBJSBG-UHFFFAOYSA-N,,,CHEMBL2180023,,367690.0
+[Cl][C][=C][C][C][C][Branch2][Ring2][#C][N][=C][Branch2][Ring1][P][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring2][N][=Ring1][#Branch1][C][=C][N][=C][Ring1][#Branch1][C][=Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C,0,DQYKHJYAOKSEPD-UHFFFAOYSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2nc3ccncc3c(=O)[nH]2)=N1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][Ring2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch2][=N][\O][C][C][Branch1][C][C][C][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C],S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C,0,QLDYDHDTENAFAF-DHPKAQQTSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=NOCC(C)C)cc(N(C)S(C)(=O)=O)c2)c1,
+[Br][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0,DERLAZDOEXCWNL-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(Br)cc(C(C)(C)C)c2)CCCCC1,
+[F][C][C][Branch2][Branch1][Ring1][NH2+1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][=C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][C][O][C][=C][C][Branch1][Branch1][C][Ring2][Ring1][Ring1][=C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],FCC([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C,0,DDKJURVNAYNPKH-UHFFFAOYSA-O,,,,COCc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]C(CF)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C],S(=O)(=O)(N(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C,0,YLWBAAGWRILMKX-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N(Cc2ccccc2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][Ring1][Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1,0,ABEHCBWGIABROV-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCCO3)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(c1)C)C(C)(C)C,0,HEICSRXXBMZPII-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(C)cc(C(C)(C)C)c2)CCCCC1,
+[S][C][Branch1][C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],s1c(C)c(cc1CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1,0,VLFTWHOZHAMTTE-UHFFFAOYSA-N,,,CHEMBL1824350,,334058.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][O][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][\C][=C][\C][O][C][C][Branch1][#Branch1][N][C][Ring2][Ring1][C][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCC\C=C\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C,0,PDQRIFLZLJPPAY-SOFGYWHQSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C2COCC=CCCCNC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][=Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][=Branch2][C][Branch1][Ring2][N][C][C][=C][C][=Branch1][Ring2][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][O][C][C][Ring1][=Branch1][C],S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C,0,KTXBXDPQEZZPTQ-UHFFFAOYSA-O,,,,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CCOCC2)cc2c1CCCS(=O)(=O)N2C,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][O][C][C][O][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2],Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1,0,WDVQMWDSGDTYIB-VWLOTQADSA-O,,,,NC1=[NH+]C(c2cccc(-c3cccnc3F)c2)(c2ccc3c(c2)OCCO3)C2=NCCCN21,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch2][Ring1][Branch1][NH1+1][=C][Branch1][S][N][C][C][Branch1][#Branch1][N][=C][Ring1][Branch2][Ring1][Branch1][Branch1][C][C][C][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2CC(N=C12)(C)C)N)c1ccc(OC(F)(F)F)cc1,0,TVENQKPJIUJCEH-XMMPIXPASA-O,,,,CC1(C)CN2C(=N1)C(c1ccc(OC(F)(F)F)cc1)(c1cccc(-c3cccnc3F)c1)[NH+]=C2N,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Ring1][N][Branch2][Branch1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccc(cc1)C#N)C,0,OUJNBZOVRLESMB-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N(c2ccc(C#N)cc2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][S][N][Branch1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][Ring1][#C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)NCCCC)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1,0,VSNQZNYUIAEPDM-UHFFFAOYSA-O,,,,CCCCNC(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][C][C][C][=C][C][Branch1][Ring2][C][C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][#C],S1(=O)(=O)CC(Cc2cc(CCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0,HAEKBOJDTPQZDQ-UHFFFAOYSA-O,,,,CCCc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)ccc1O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)(C)C,0,LDGMEHDJYJLXOB-XZOQPEGZSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C(C)(C)c1cccc(C(C)(C)C)c1,
+[F][C][Branch1][C][F][Branch1][C][F][C][C][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC(F)(F)CCOc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,0,QLEGEHLCGYEGPB-HXUWFJFHSA-N,,,CHEMBL1270136,,232323.0
+[F][C][Branch1][C][F][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],FC(F)Oc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1,0,GUZQFYDEDMEBAJ-GOSISDBHSA-N,,,CHEMBL1270241,,232381.0
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][NH1][C][=C][Ring1][Branch1][C][C][C][=C][Ring1][O][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][P],S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,OJIHHERXQFICND-UHFFFAOYSA-O,,,,CCc1c[nH]c2ccc(CC3CS(=O)(=O)CC([NH2+]Cc4cccc(C(C)(C)C)c4)C3O)cc12,
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Ring1],FC(F)(F)Oc1ccc(cc1)[C@@]1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC1CC1,0,HAEYOFDFQFNGQU-HSZRJFAPSA-O,,,,NC1=[NH+]C(c2ccc(OC(F)(F)F)cc2)(c2cccc(CCC3CC3)c2)C2=NCCCN21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch1][C][C][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Branch1][=Branch1][C][C][Ring2][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],S(=O)(=O)(C)C1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C,0,IPTSIAGFGHQUFM-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(S(C)(=O)=O)CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][=N][C][C][C][Branch1][Ring2][N][C][=O][C][C][Ring1][=Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC=O)CC1)c1cc(ccc1)C(C)(C)C,0,DGKMELFQHSLJIP-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(NC=O)CC1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][P][=N][C@][Ring1][=Branch1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Ring1][N][N],O=C1N(C)C(=N[C@]1(C1CCCCC1)c1cc(NC(=O)COC)ccc1)N,0,VAZKQVYVSGKYLY-LJQANCHMSA-N,,,CHEMBL589614,COCC(=O)Nc1cccc(C2(C3CCCCC3)N=C(N)N(C)C2=O)c1,206953.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][P][N][Branch2][Branch1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=N][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C,0,SOGVSPVLCXEDPN-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccncc1)c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=N][N][Branch1][Branch1][C][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)CC(C)(C)C,0,WAWMDYRIDYNUTJ-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ccn(CC(C)(C)C)n2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CC1CC1)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1,0,VEAJAOBTGYIFHN-UHFFFAOYSA-O,,,,CCCN(CC1CC1)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cccnc21,
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][=Branch1][NH2+1][C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][O][C][Ring2][Ring2][#Branch1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(OC(F)(F)F)ccc2)C1,0,OOOLZCKPVRMIHJ-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]Cc3cccc(OC(F)(F)F)c3)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C,0,LWWLSQSVRJIOFD-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCCC1,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring2][C][C][=N][C][Branch1][C][N][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][Ring1][N][C][=Branch1][=Branch1][=C][C][=Ring2][Ring1][C][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][C][C][=C][Ring1][N],Clc1ccccc1-c1n(Cc2nc(N)c(NCCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1,0,PBMMEMHFZBWZEJ-UHFFFAOYSA-N,11620576.0,"cid is 11620576,compound_name is 3-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-ylamino)propan-1-ol,cid_paras is 11620576,Molecular_Weight is 519.1,XLogP3 is 6.8,Hydrogen_Bond_Donor_Count is 3,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 13,Exact_Mass is 518.2448541,Monoisotopic_Mass is 518.2448541,Topological_Polar_Surface_Area is 85.3,""Unit"":""Ų"",Heavy_Atom_Count is 37,Formal_Charge is 0,Complexity is 635,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1089204,,217672.0
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][NH1][N][=C][Ring1][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][C],S1(=O)(=O)CC(Cc2cc3c([nH]nc3CCC)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,RCZHEAXBWJEWSG-UHFFFAOYSA-O,,,,CCCc1n[nH]c2ccc(CC3CS(=O)(=O)CC([NH2+]Cc4cccc(C(C)(C)C)c4)C3O)cc12,
+[I][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],Ic1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0,KRWAQXXOXZHCRT-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(I)cc(C(C)(C)C)c2)CCCCC1,
+[Cl][C][=C][C][=Branch1][#C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=NH2+1][N][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=C][Ring1][O],Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(OC)ccc2cc1,0,WDOAIYCEGYEFOX-UHFFFAOYSA-O,,,,COc1ccc2ccn(CC(=O)NC(=[NH2+])NCc3cc(Cl)c(NC(C)=O)c(Cl)c3)c2c1,
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][=Branch1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1,0,PMIMNVFAGLMWQP-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]Cc3cc(C(C)(C)C)ccn3)C2O)cc(F)c1N)C(F)(F)F,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][F][F][Branch1][C][C][C],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C,0,SXBWNENFIQGMLK-FCHUYYIVSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C(F)F)c2)CC1,
+[O][C][=C][Branch2][Ring1][Branch2][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=Branch1][Branch1][=C][C][=Ring1][Branch1][C][C][=C][Ring1][#C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch2][Branch1][C][C][C],O1c2c(cc(NC(=O)c3oc(cc3)C)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,YSKSBTBSQASAMG-UHFFFAOYSA-N,,,CHEMBL2349609,,382666.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][P][C][C][C][Branch1][Branch2][N][C][Branch1][Ring1][O][C][=O][C][C][Ring1][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(OC)=O)CC1)c1cc(ccc1)C(C)(C)C,0,GHIOOJATLGROTA-UHFFFAOYSA-O,,,,COC(=O)NC1CCC([NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch2][Ring1][Ring1][C][C][C][Branch1][#Branch2][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][Ring1][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(N(O)C(=O)C)CC1)c1cc(ccc1)C(C)(C)C,0,NDZSHEMATMHUPV-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(N(O)C(C)=O)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][P][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,HCCUAEDWZPUACG-UHFFFAOYSA-N,,,,COC(COCc1ccccc1)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1,
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],s1cc(cc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,0,LNJSOHPMNUFUKA-UHFFFAOYSA-N,15950518.0,"cid is 15950518,compound_name is 2-amino-1-methyl-4-(pyridin-4-yl)-4-(3-(thiophen-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 15950518,Molecular_Weight is 348.4,XLogP3 is 2.2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 3,Exact_Mass is 348.10448232,Monoisotopic_Mass is 348.10448232,Topological_Polar_Surface_Area is 99.8,""Unit"":""Ų"",Heavy_Atom_Count is 25,Formal_Charge is 0,Complexity is 548,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1091441,,216986.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring2][N][Branch1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][C][=C][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CCC)CCC)cccc2)Cc1ccccc1,0,CYLZLPXCPNXMAR-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21,
+[S][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][=Branch1][P][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=Branch1][Ring2][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][P][C][=C][C][Branch1][#Branch1][C][O][C][Ring2][Ring1][#Branch2][=C][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1,0,FORMHTPKYXAYSB-UHFFFAOYSA-N,,,,CC(C)SC(NC(=O)C(CC(O)C1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C)C(=O)NCc1ccccc1,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)(F)F,0,KJPBADHCKFUMIL-UHFFFAOYSA-N,,,CHEMBL2177906,,366648.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][P][N][Branch2][=Branch1][Branch1][C][=C][C][=Branch2][Ring1][Ring2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch2][=N][/O][C][C][Branch1][C][C][C][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C,0,WOHASPTUMGHGNJ-FDQUBKCLSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=NOCC(C)C)cc(N(c3ccccc3)S(C)(=O)=O)c2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=Branch1][N][Branch2][Ring2][#Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCCCC1)c1ccccc1)C,0,FEOZKBJQAROHID-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccccc1)c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CCCCC2)c1,
+[S][Branch2][Branch1][=Branch1][O][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=Branch1][C][=O][=O],S1(Oc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)(=O)=O,0,GLABHUZSEHKTBW-OZAIVSQSSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CC4)cc13)OS(=O)(=O)CC2,
+[O][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=Branch2][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O1c2cc(ccc2OC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1,0,XEGBNTCEGJZIPQ-UHFFFAOYSA-N,11531131.0,"cid is 11531131,compound_name is 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one,cid_paras is 11531131,Molecular_Weight is 386.4,XLogP3 is 2.4,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 3,Exact_Mass is 386.13789045,Monoisotopic_Mass is 386.13789045,Topological_Polar_Surface_Area is 90,""Unit"":""Ų"",Heavy_Atom_Count is 29,Formal_Charge is 0,Complexity is 670,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL566415,,206093.0
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,0,GGDXUASAIRELMT-UHFFFAOYSA-N,15951485.0,"cid is 15951485,compound_name is 2-Amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethyl)phenyl]phenyl]imidazol-4-one,cid_paras is 15951485,Molecular_Weight is 410.4,XLogP3 is 3.4,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 6,Rotatable_Bond_Count is 3,Exact_Mass is 410.13544566,Monoisotopic_Mass is 410.13544566,Topological_Polar_Surface_Area is 71.6,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 676,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,CN1C(=O)C(c2ccncc2)(c2cccc(-c3cccc(C(F)(F)F)c3)c2)N=C1N,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][=N],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCCC2=O)ccc1,0,KNSUFDSYTXUXKM-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CCCCC3=O)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][#N][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(cnc1)C#N)c1cc(ncc1)C(F)(F)F,0,LWWIAXXIXLRNGA-UHFFFAOYSA-N,,,CHEMBL2177907,,366649.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][O][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(CO)(C)C,0,AMEOCKPYHSSHSL-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)CO)c2)CCCCC1,
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#C,0,SFYRCFTWDHROKH-LJQANCHMSA-N,,,CHEMBL1270833,,232698.0
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][N][O][C][Branch2][Ring1][Ring1][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][Ring1][C][C][C][Ring1][Branch2][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2],Clc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(CC)C3=O)(C)C)cc1,0,LVSDEOGFBMASFA-UHFFFAOYSA-N,,,CHEMBL2349483,,382582.0
+[N][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][N][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1],n1cc(ccc1)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1,0,VYNSZKZKYKBABX-UHFFFAOYSA-N,,,,NC1=NC(c2ccncc2)(c2cccc(-c3cccnc3)c2)C2=NCCCN12,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][O][C][Ring1][=Branch1][C][=C][C][Branch1][Branch2][N][N][=C][C][=C][Ring1][Branch1][=C][C][=C][Ring1][O],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCOC1)c1cc(-n2nccc2)ccc1,0,WYAJCDWGUPQGAC-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-n3cccn3)c2)CCCOC1,
+[O][Branch1][C][C][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2],O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0,UOXQVRHHHXEQIR-UHFFFAOYSA-N,,,CHEMBL567485,,206104.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][C][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][\C][=C][\C][O][C][C][Branch1][=Branch1][N][C][Ring1][P][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\C=C\COCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C,0,LQKKTFJDANLOQB-XBXARRHUSA-O,,,,CN(c1cc2cc(c1)C(=O)NC(C(O)C[NH2+]Cc1ccccc1)COCC=CCCNC2=O)S(C)(=O)=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][Ring2][C][Branch2][Ring1][#Branch2][C][C][Branch2][Ring1][Ring2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][N][Ring2][Ring1][Branch1][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(O)cc2)C)CN1C)c1cc(F)ccc1,0,MYMDKNMEPUYDBL-UHFFFAOYSA-O,,,,CC1CC2(CC[NH+]1Cc1ccc(O)cc1)CN(C)S(=O)(=O)N2c1cccc(F)c1,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1,0,UMLMJLPXSRDUHS-UHFFFAOYSA-N,,,CHEMBL2180025,,367692.0
+[O][C][=C][Branch1][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C],O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,BEGDFQNYAHOPGF-UHFFFAOYSA-N,,,CHEMBL2349498,,382597.0
+[O][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2],O(C)c1ccc(cc1CC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0,ZQVKNEMQAHETSD-UHFFFAOYSA-N,,,CHEMBL584109,,206103.0
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][=Branch2][O][C][S][C][=C][N][=Ring1][Branch1][C][=C][Ring1][N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2sccn2)cc1,0,YHSXIZRPIMWUNC-UHFFFAOYSA-N,11619519.0,"cid is 11619519,compound_name is 6-[[2-(2-Chlorophenyl)-5-[4-(1,3-thiazol-2-yloxy)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine,cid_paras is 11619519,Molecular_Weight is 459.0,XLogP3 is 5.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 6,Exact_Mass is 458.0968101,Monoisotopic_Mass is 458.0968101,Topological_Polar_Surface_Area is 94.2,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 592,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,Nc1cccc(Cn2c(-c3ccc(Oc4nccs4)cc3)ccc2-c2ccccc2Cl)n1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][P][N][Branch2][Branch1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ncccc1)C,0,NLBLQQZAHZCPKB-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1)c1ccccn1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@H1][C][C][O][C][Ring1][Branch1],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(ccc1)[C@H]1CCOC1,0,KBLUIKVYUUMQFP-OUIFVKKZSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCOC3)c2)CCOCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][F][Branch1][C][C][C],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(CF)(C)C,0,BOKNVVDKNIATDN-XZOQPEGZSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)CF)c2)CC1,
+[O][C][C][C][C][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],O1CCCCNc2cc(ccc2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C,0,QMDCLYWXGCPUJX-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]CC(O)C2Cc3cccc(c3)OCCCCNc3cccc(c3)C(=O)N2)c1,
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring1][S][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncccc2)ccc1F)N,0,SYEULBIUWRUKDF-UHFFFAOYSA-N,,,,CC1(c2cc(NC(=O)c3ccccn3)ccc2F)N=C(N)OCC1(F)F,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][P][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][Ring1][Branch2][C][C],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C(=O)N(C1)C)C,0,ARWLTZWIOYRTKV-UHFFFAOYSA-N,,,CHEMBL1921816,,339931.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][N][=N][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch2][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC1(c1cc(nc(c1)C)C(C)C)c1cc(ccc1)-c1cncnc1)N,0,VXCKGUCJPIJYJT-UHFFFAOYSA-N,,,CHEMBL597073,,210844.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C],S(=O)(=O)(N(C1CCCCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C,0,QICXKWLEAQCSEK-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N(C2CCCCC2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1,
+[Br][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][O],Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O,0,RWFVYPSAMVBVLR-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(O)c(Br)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=N][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0,BTLIREXMGMYALU-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(COC(=O)C([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][S][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C],S(=O)(=O)(N(c1ccccc1C#N)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C,0,HVUSENQTTSYTSM-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N(c2ccccc2C#N)S(C)(=O)=O)c1)C(=O)NC1CCCCC1,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][Ring1],Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1,0,BASHYZBACCLMHK-UHFFFAOYSA-N,,,CHEMBL2180033,,367700.0
+[Br][C][=C][S][C][=C][Ring1][Branch1][C][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][#C][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Branch1][C][C][C][C][=Branch1][C][=O][O-1],Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-],0,LZMNPXMCRBRYAN-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2Br)C(=O)[O-])=N1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(N)c1)C(C)(C)C,0,SPFHLQQJLDPWEY-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(N)cc(C(C)(C)C)c2)CCCCC1,
+[F][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1cc(cc(c1)-c1cncnc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,0,SWJSIMOUBCDDJW-UHFFFAOYSA-N,,,CHEMBL566633,,206101.0
+[S][C][=C][Branch1][#Branch2][C][=C][Ring1][Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],s1cc(cc1C(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0,VRNWLEQMSWZOOX-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2csc(C(C)C)c2)CCCCC1,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][N][=C][Branch1][=N][N][N][=C][Branch1][#Branch1][C][=C][Ring1][Branch2][Ring1][Branch1][C][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1)C1(N=C(n2nc(cc12)C)N)c1cc(ccc1)-c1cncnc1,0,RUUJDLSJAYXIRG-UHFFFAOYSA-N,,,CHEMBL2380451,,384798.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][#C][C][C][C][N][Branch1][Ring2][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)N)c1cc(ccc1)C(C)(C)C,0,XONCCTICAQCLTM-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCCN(C(N)=O)C1,
+[O][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2],O(CC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0,LOQLIYCILQUEKV-UHFFFAOYSA-N,,,CHEMBL566198,,206082.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#C][C][C][C][C][C][C][Ring1][=Branch1],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CCCCC1,0,WUXAVDKYNWCPLF-RUZDIDTESA-N,,,CHEMBL1271345,,232937.0
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1,0,PHOHQSLNKFJNQU-UHFFFAOYSA-N,,,CHEMBL2180026,,367693.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][Ring1][Branch1][C][Ring1][#Branch1][=O][=C][C][=C][Ring1][=C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2C3CC(CC3)C2=O)ccc1,0,OYEGKOBVNHEMFR-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3C(=O)C4CCC3C4)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC(C)(C)C,0,HQKMGBJLQVCDTB-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(CC(C)(C)C)c2)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][O][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C,0,HEVVQTLSQHWKDS-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(COCC(C)([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],S(C)c1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,0,RWGJWBPBDZOMCK-UHFFFAOYSA-N,,,CHEMBL2349495,,382594.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cn(nc1)CC(C)(C)C,0,VGPRQBUXKLBDJH-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cnn(CC(C)(C)C)c2)CC1,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][N][N][=C][Branch1][C][N][C][N][C][Ring1][#Branch1][=O][C],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C,0,JXQMLTFSTGZXQS-UHFFFAOYSA-N,,,,CC1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C(N)CNC1=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][S][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][#Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(=O)C)CC1)c1cc(ccc1)C(C)(C)C,0,FIRLFOMIFRXVRG-UHFFFAOYSA-O,,,,CC(=O)NC1CCC([NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CC1,
+[O][=C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][O][N][C][Ring2][Ring1][Branch1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=N],O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CCC1CCCCC1)=N,0,FXIAVDHDQYLVCR-UHFFFAOYSA-N,,,CHEMBL568942,,202930.0
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][Branch1][C][N][C][=C][Ring1][Branch2][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][=C],S1(=O)(=O)CC(Cc2cc(F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,MBOBLSSYUAFPMA-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(N)c(F)c3)C2O)c1,
+[S][C][=C][Branch2][Ring2][#C][C][=C][Ring1][Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2][C][Branch1][C][C][C],s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C,0,OXQSNTNDUWRUOE-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(C(C)C)cs2)CCCCC1,
+[S][Branch2][Branch1][Ring2][O][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C@H1][Branch1][C][O][C][NH2+1][C][C][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=Branch1][C][=O][=O],S1(Oc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]CC#C)Cc1ccccc1)(=O)=O,0,PLZZTYZARDIULX-OZAIVSQSSA-O,,,,C#CC[NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cc2c3c(c1)c(CC)cn3CCS(=O)(=O)O2,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@@][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)[C@@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1,0,OPSMDCTXTURNQW-QHCPKHFHSA-O,,,,NC1=[NH+]C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN21,
+[S][Branch2][Branch1][O][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Branch1][C][C][C][C],S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C,0,CZCCRMUAYOHILJ-UHFFFAOYSA-N,,,,CCCCNC(=O)C(C)CC(O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(NC(C)=O)C(C)C,
+[S][C][=C][C][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],s1cccc1-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0,FWWAEKQHRVOHHS-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-c3cccs3)c2)CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][P][C][C][=C][C][Branch1][Ring1][C][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][=C],S1(=O)(=O)CC(Cc2cc(CC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0,BYTGAALBWBYPIF-UHFFFAOYSA-O,,,,CCc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)ccc1O,
+[S][C][=C][C][Branch2][Ring2][Ring1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][C],s1ccc(C2(N=C(N)N(C)C2=O)c2cc(ccc2)-c2cncnc2)c1C,0,AWSZXXRYNSNVQU-UHFFFAOYSA-N,,,CHEMBL1824348,,334056.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][#C][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCN(CC1)C(=O)N)c1cc(ccc1)C(C)(C)C,0,WKPYEYRMQAMPIL-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCN(C(N)=O)CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][#N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)C#N)c1cc(ccc1)C(C)(C)C,0,AGMAUUAIQMIQDF-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(C#N)CC1,
+[O][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][=Branch1],O1c2cc(ccc2OC1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1,0,SNQQSEHSNGCNKM-UHFFFAOYSA-N,,,CHEMBL605518,,207001.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][/C][=Branch1][Ring1][=C][/C][/C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)/C(=C/C)/C,0,JGGAGJGEZQIQKI-RMOCHZDMSA-O,,,,CC=C(C)c1cccc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1,
+[O][=C][N][Branch1][P][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][#Branch1][=N][C][Ring1][#C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(CC2CCC(CC2)C(=O)[O-])C(=NC1(C1CCCCC1)c1ccccc1)N,0,VENODDRXHDEEEG-UHFFFAOYSA-M,,,,NC1=NC(c2ccccc2)(C2CCCCC2)C(=O)N1CC1CCC(C(=O)[O-])CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][F][Branch1][Ring1][C][F][C],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(CF)(CF)C,0,SMTZXKMQADBRPC-XZOQPEGZSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(CF)CF)c2)CC1,
+[O][=C][Branch1][N][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][=N][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C],O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C,0,HYWGNSXXNDFBQD-UHFFFAOYSA-N,,,CHEMBL1821829,,333168.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][N][=N][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nnn(c1)C12CC3CC(C1)CC(C2)C3,0,PLFRHQJOEZNBAR-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cn(C34CC5CC(CC(C5)C3)C4)nn2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][O][C][C][C][N][Branch1][C][O][C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(O)C1)c1cc(ccc1)C(C)(C)C,0,XWEJEFXIDWSXKS-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCCN(O)C1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][S][N][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Branch1][=Branch1][C][C][Ring2][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C],S(=O)(=O)(NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C)C,0,PDZOEVJPBSTEHO-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(NS(C)(=O)=O)CC1,
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=N][C][=C][Ring1][Branch2],Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(OC)ncc1,0,OJAQXSAISVSZNQ-UHFFFAOYSA-N,,,CHEMBL2177911,,366654.0
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1,0,BJNBXZWXQWCMNW-UHFFFAOYSA-N,11719407.0,"cid is 11719407,compound_name is 6-((2-(2-chlorophenyl)-5-(4-(pyridin-3-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine,cid_paras is 11719407,Molecular_Weight is 452.9,XLogP3 is 5.3,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 6,Exact_Mass is 452.1403890,Monoisotopic_Mass is 452.1403890,Topological_Polar_Surface_Area is 66,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 601,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1091220,,217524.0
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][#Branch2][O][C][=N][N][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nnccc2)cc1,0,IHGJFCQIUZBLLX-UHFFFAOYSA-N,11691007.0,"cid is 11691007,compound_name is 6-((2-(2-chlorophenyl)-5-(4-(pyridazin-3-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine,cid_paras is 11691007,Molecular_Weight is 453.9,XLogP3 is 4.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 6,Exact_Mass is 453.1356380,Monoisotopic_Mass is 453.1356380,Topological_Polar_Surface_Area is 78.8,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 603,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1092912,,217587.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N(C)C)ccc1,0,WJBYIOPHMFCESO-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N(C)C)c2)CCCCC1,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][N][C][=Branch1][C][=O][N][Branch1][#Branch1][C][Ring1][=Branch1][=C][Ring1][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2NC(=O)N(c2c1)CC)Cc1ccccc1,0,RQAUBIXATGJXNE-UHFFFAOYSA-O,,,,CCn1c(=O)[nH]c2c(N3CCCC3=O)cc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]Cc3cccc(OC)c3)cc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=Branch2][Ring1][Ring2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][=Branch2][=N][\O][C][C][Branch1][C][C][C][/C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1,0,JCUUWKUBIIMJSF-NWDNRRJYSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=NOCC(C)C)cc(N3CCCCS3(=O)=O)c2)c1,
+[O][C][=C][Branch1][S][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][=C][Ring1][O][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][=Branch1][Branch1][C][C][C],O1c2c(cc(OCC(C)C)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,KESHGUAKESOZTB-UHFFFAOYSA-N,,,CHEMBL2349499,,382598.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][Ring1][N][Branch2][Ring2][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)c1ccccc1)C,0,XVLOVTVVPKSUGV-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccccc1)c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)c1,
+[F][C][Branch1][C][F][C][O][C][=Branch2][Ring2][C][=N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=N][N][Branch1][Branch1][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][#C][F][N],FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C)ccc1F)N,0,OTZXLWIDYPQTOQ-UHFFFAOYSA-N,,,,Cn1ccc(C(=O)Nc2ccc(F)c(C3(C)N=C(N)OCC3(F)F)c2)n1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][N][=N][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nnn(c1)CC(C)(C)C,0,ZDWBVXDYSLNIIX-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cn(CC(C)(C)C)nn2)CC1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][#Branch1][N][=C][Branch2][Ring1][=Branch2][N][C][Branch1][S][C][C][=C][S][C][=C][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C,0,ASNJXTHXWLJRAC-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2-c2cn[nH]c2)C(=O)[O-])=N1,
+[Cl][C][=C][C][=Branch1][#C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=NH2+1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][O],Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cc(OC)cc2)cc1,0,PWDZKSXOHLQUKL-UHFFFAOYSA-O,,,,COc1ccc2c(ccn2CC(=O)NC(=[NH2+])NCc2cc(Cl)c(NC(C)=O)c(Cl)c2)c1,
+[O][C][=C][Branch1][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C],O1c2c(cc(cc2)-c2ccccc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,QZWZVYCEECVWOE-UHFFFAOYSA-N,,,CHEMBL2349611,,382668.0
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][#Branch2][O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nccnc2)cc1,0,SKVOYCWFAMLWLN-UHFFFAOYSA-N,11705141.0,"cid is 11705141,compound_name is 6-((2-(2-chlorophenyl)-5-(4-(pyrazin-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine,cid_paras is 11705141,Molecular_Weight is 453.9,XLogP3 is 4.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 6,Exact_Mass is 453.1356380,Monoisotopic_Mass is 453.1356380,Topological_Polar_Surface_Area is 78.8,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 603,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1092000,,217586.0
+[I][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],Ic1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0,NMVADCDYVIVWHB-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(I)c2)CCCCC1,
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2],FC(F)(F)Oc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0,KKUVYLRKCGXDSS-UHFFFAOYSA-N,,,CHEMBL583899,,206085.0
+[Cl][C][S][C][=Branch2][Ring2][#Branch1][=C][C][=Ring1][Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C],Clc1sc(cc1C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1)C,0,ZWXIWSLPGZVVNP-UHFFFAOYSA-N,,,CHEMBL1824352,,334060.0
+[Cl][C][=C][C][C][C][Branch2][Ring2][O][N][=C][Branch2][Ring1][=N][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=Branch1][Branch1][=C][N][=Ring1][#Branch1][C][#N][C][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C,0,SSQLUPVACAMCTQ-UHFFFAOYSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2ncc(C#N)c(=O)[nH]2)=N1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=N][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][Branch1][C][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,PWQMRWXGOOXKPU-UHFFFAOYSA-N,,,,COC(COC(C)C)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][C][C][Branch1][Ring2][C][O][C][C][Ring1][Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1,0,AAAGFCUDAXPDAA-UHFFFAOYSA-O,,,,COCC1CCN(C(C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)C1=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][=C][Ring1][Branch1][C][C][C][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1],S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1,0,AAAWKNFGNGANRE-UHFFFAOYSA-O,,,,CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CC4)cc13)NS(=O)(=O)CCC2,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][NH2+1][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)C(O)C1[NH2+]CC[NH2+]C1,0,BBCDUUOCERVFDK-UHFFFAOYSA-P,,,,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2C[NH2+]CC[NH2+]2)c1,
+[F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],Fc1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1,0,PXUUVOWXCHBBOB-UHFFFAOYSA-N,,,CHEMBL2180024,,367691.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch2][Ring1][Ring1][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(Nc2cccnc2)CC1)c1cc(ccc1)C(C)(C)C,0,AZUSWKLIPKFZEM-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(Nc2cccnc2)CC1,
+[O][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][\C][=C][\C][Ring2][Ring1][Ring2][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\C=C\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C,0,GBBLFQQTZWGDGP-GQCTYLIASA-O,,,,Cc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]Cc1cccc(C(C)C)c1)COCC=CCCNC2=O,
+[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][S][N][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],n1ccc(cc1)C1(N=C(N)c2c1cccc2)c1cc(ccc1)-c1cncnc1,0,AQKMASIJQXIOKJ-UHFFFAOYSA-N,,,CHEMBL2177307,,366331.0
+[S][C][C][=Branch2][Ring2][=Branch1][=N][C][Ring1][Branch1][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N],S1CC(=NC1(c1cc(ccc1)-c1cc(OC)ccc1)c1ccncc1)N,0,PEXWMBKSLYMVGI-UHFFFAOYSA-N,,,CHEMBL2380456,,384803.0
+[S][N][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],s1nc(cc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1,0,ZEPLYSGSJFWAKW-UHFFFAOYSA-N,,,,CN1C(=O)C2(CC(C)(C)Oc3ccc(-c4ccsn4)cc32)N=C1N,
+[Cl][C][=C][C][C][C][Branch2][Ring2][Ring1][N][=C][Branch2][Ring1][Branch1][N][C][Branch1][N][C][C][=C][S][C][=C][Ring1][Branch1][C][#C][C][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C,0,SBFGIWQXDBDDCU-UHFFFAOYSA-M,,,,CC#Cc1cscc1CC(NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)[O-],
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C],FC(F)(F)Oc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1OC,0,KERCJRSYQSWRIP-UHFFFAOYSA-N,,,CHEMBL567259,,206119.0
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][O][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=Branch2][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][=C],S1(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,KNBBTCRFFYVMIG-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)CC(Cc3cc(O)c(N)c(F)c3)C2O)c1,
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][/C][Branch1][C][/F][=C][/C][C][C][Ring1][Ring1],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C/C1CC1,0,SQRMALBFLFFPQZ-IFNMQTAJSA-N,,,CHEMBL1270528,,232541.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][Branch2][C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][Branch1][#C][C][C][NH1+1][Branch1][=Branch1][C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C],S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C,0,YINGAUWXSHHKHN-UHFFFAOYSA-P,,,,CCN1CC[NH+]2CCS(=O)(=O)N(C)C3C=C(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]C4CC4)C=C1C32,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][C][C][=C][Ring1][N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCCC)cc1,0,MFVREGCSTSILCV-UHFFFAOYSA-N,11619220.0,"cid is 11619220,compound_name is 6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine,cid_paras is 11619220,Molecular_Weight is 446.0,XLogP3 is 6.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 9,Exact_Mass is 445.1920902,Monoisotopic_Mass is 445.1920902,Topological_Polar_Surface_Area is 53.1,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 541,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1093450,,217932.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][N][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)c2c1cccc2)C,0,FUODELWGAIAPOS-UHFFFAOYSA-N,,,,CC1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C(N)c2ccccc21,
+[F][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][F][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2],Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1,0,JIBQVJZSWQNHLX-UHFFFAOYSA-N,,,CHEMBL584926,,206137.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][O][C][O][C][Ring1][#Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOCOC1,0,SNCUIVJNMNJXKM-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCOCOC3)c2)CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][C][F][=C][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][Branch2][=C][Ring1][=N][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)(=O)CC(Cc2cc(F)c3NCC4(CCC4)c3c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,ORQHYSJSJRKSEL-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cc(F)c4c(c3)C3(CCC3)CN4)C2O)c1,
+[Cl][C][=C][N][=C][Branch1][=Branch1][N][C][Ring1][=Branch1][=O][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][#C][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1,0,JSUFHPJCDKHGLH-UHFFFAOYSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2ncc(Cl)c(=O)[nH]2)=N1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][#Branch1][N][=C][Branch2][Ring1][=Branch2][N][C][Branch1][S][C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3CCC3CC3)C(=O)[O-])c2cc1)(C)C,0,RZALDCZGUSABQT-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2CCC2CC2)C(=O)[O-])=N1,
+[O][C][Branch2][Ring2][O][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][C][C][Ring1][=Branch1][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C,0,PCVULHPMCAPMCJ-UHFFFAOYSA-O,,,,CCC(=O)NC(C)(C)C1CCCC(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(C)C)c2)C1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][Ring1][Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1,0,DGXDCVZUXDMTLV-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCCO3)c2)CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][O][C][C][C][Ring1][Branch1][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C,0,MPYBDRDFSBFESO-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3(C)CCCO3)c2)CC1,
+[O][=C][Branch1][Branch1][N][C][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NCC=C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0,LLAHJUDHJREWBP-UHFFFAOYSA-N,11596660.0,"cid is 11596660,compound_name is N-allyl-4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)benzamide,cid_paras is 11596660,Molecular_Weight is 408.5,XLogP3 is 4.1,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 7,Exact_Mass is 408.19501140,Monoisotopic_Mass is 408.19501140,Topological_Polar_Surface_Area is 72.9,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 582,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1092227,,218014.0
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1,0,FMDGWGCVQHGFLG-UHFFFAOYSA-N,11576068.0,"cid is 11576068,compound_name is 6-((2-(2-chlorophenyl)-5-(4-(pyridin-4-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine,cid_paras is 11576068,Molecular_Weight is 452.9,XLogP3 is 5.3,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 6,Exact_Mass is 452.1403890,Monoisotopic_Mass is 452.1403890,Topological_Polar_Surface_Area is 66,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 595,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1091219,,217523.0
+[I][C][=C][N][=C][Branch1][=Branch1][N][C][Ring1][=Branch1][=O][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][#C][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1,0,WAHURWKRLNXZOW-UHFFFAOYSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2ncc(I)c(=O)[nH]2)=N1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C@H1][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2,0,XLKDNRYXYLCLKU-JFWPWYLHSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3ccccc3C[NH2+]2)C1=O,
+[Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][NH2+1][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1,0,OEHSQMKCKVJVJJ-UHFFFAOYSA-O,,,,O=C(C1C[NH2+]CC1c1ccccc1Br)N1CCC(c2ccccc2)CC1c1ccccc1,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][Branch2][Ring1][#Branch2][C][C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][=O][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1],Clc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(CC(F)(F)F)C3=O)(C)C)cc1,0,GHARMVZBQPOGLS-UHFFFAOYSA-N,,,CHEMBL2349484,,382583.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C,0,CQJCMAHTSPVMHW-BJKOFHAPSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC1,
+[Br][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring2][O],Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O,0,RAJGLGNZCKUEGR-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cccc(Br)c3)C2O)c1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][Ring1][N][=C][Branch2][Ring1][Branch1][N][C][Branch1][N][C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C,0,SFUUSYIYAKSHRW-UHFFFAOYSA-M,,,,CCCc1cscc1CC(NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)[O-],
+[O][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][N][C][#N],O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C#N,0,ZPCHKGPANGLPQI-UHFFFAOYSA-N,11560610.0,"cid is 11560610,compound_name is 4-(2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-2-(pyridin-3-yl)benzonitrile,cid_paras is 11560610,Molecular_Weight is 411.5,XLogP3 is 2.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 4,Exact_Mass is 411.16952493,Monoisotopic_Mass is 411.16952493,Topological_Polar_Surface_Area is 105,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 760,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL565378,,206088.0
+[O][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],o1cc(cc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1,0,TWFCSUNZDWGKTE-UHFFFAOYSA-N,15950520.0,"cid is 15950520,compound_name is 2-amino-4-(3-(furan-3-yl)phenyl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one,cid_paras is 15950520,Molecular_Weight is 332.4,XLogP3 is 1.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 3,Exact_Mass is 332.12732577,Monoisotopic_Mass is 332.12732577,Topological_Polar_Surface_Area is 84.7,""Unit"":""Ų"",Heavy_Atom_Count is 25,Formal_Charge is 0,Complexity is 546,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1090025,,216987.0
+[Cl][C][=C][C][C][C][Branch2][Ring2][C][N][=C][Branch2][Ring1][Ring2][N][C][Branch1][O][C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3CC)C(=O)[O-])c2cc1)(C)C,0,HZAJIGYQQWAXJJ-UHFFFAOYSA-M,,,,CCc1cscc1CC(NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)[O-],
+[S][C][C][C][=Branch2][Ring1][=C][=N][C][Ring1][=Branch1][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N],S1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N,0,CCSFGKCXOLFWQZ-UHFFFAOYSA-N,,,CHEMBL2380446,,384793.0
+[S][C][=C][Branch1][=Branch1][N][=C][Ring1][Branch1][C][C][=Branch2][Ring2][=Branch1][=N][C][Ring1][Branch2][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N],s1c2c(nc1C)C(=NC2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N,0,YQFNSFOVYAQJAF-UHFFFAOYSA-N,,,CHEMBL2380450,,384797.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nccc(c1)C(C)(C)C,0,VMNLOHRLVJTMIX-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(C(C)(C)C)ccn2)CC1,
+[O][C][C][C][C][N][C][=C][C][=Branch2][Branch1][#Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][Ring2][C][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][O][C],O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(COC)c1cc(ccc1)C(C)(C)C)COC,0,KEWIBIGKBFEKRG-UHFFFAOYSA-O,,,,COCc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]C(COC)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][S][C][C][=C][C][Branch1][Branch1][O][C][C][C][=C][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][S],S1(=O)(=O)CC(Cc2cc(OCCC)ccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,STRMYUPQAIUGMK-UHFFFAOYSA-O,,,,CCCOc1cccc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC,0,QJBDADQASJTUQI-UHFFFAOYSA-O,,,,CCc1cccc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=N],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1,0,LKMGTFRKDSLFSR-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CCCOCC3)c2)CCCCC1,
+[O][=C][C][=C][Branch1][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C],O=C1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,WLPRMBUVPLHGAI-UHFFFAOYSA-N,,,CHEMBL2349481,,382580.0
+[Br][C][C][=C][S][C][=Ring1][Branch1][C][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][#C][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Branch1][C][C][C][C][=Branch1][C][=O][O-1],Brc1ccsc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-],0,WEJZTPYFSSZMKE-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2sccc2Br)C(=O)[O-])=N1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],S(=O)(=O)(C)c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0,STSQRZUZZJGMPW-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(S(C)(=O)=O)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch2][=C][N+1][Branch1][C][O-1][=C][Ring1][#Branch1][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(c[n+]([O-])c1)CC(C)(C)C,0,KZOWDSWZTVEAML-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(CC(C)(C)C)c[n+]([O-])c2)CC1,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][O][C][Branch1][C][F][Branch1][C][F][O][C][=Ring1][#Branch1][C][=C][Ring1][O],Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1,0,MMUYGEDDWAWBAB-QHCPKHFHSA-O,,,,NC1=[NH+]C(c2cccc(-c3cccnc3F)c2)(c2ccc3c(c2)OC(F)(F)O3)C2=NCCCN21,
+[F][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],Fc1ccc(OC)cc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,MVXQIQQZUNOJEY-UHFFFAOYSA-N,,,CHEMBL2177333,,366358.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][O][N][C][C][C][O][C][C][Ring1][#Branch1][=O][=C][C][=C][Ring1][=C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2=O)ccc1,0,PCWSXIPKKVFNIH-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CCCOCC3=O)c2)CCCCC1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][=Branch1][N][=C][Branch2][Ring1][Branch2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch1][Branch1][O][N][=Ring1][Branch1][=O][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(ON=3)=O)c2cc1)(C)C,0,XREOSEVJCQGCHE-UHFFFAOYSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2noc(=O)[nH]2)=N1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@H1][C][C][O][C][Ring1][Branch1],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)[C@H]1CCOC1,0,IROUFPLAOXNCIN-WDJPJFJCSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCOC3)c2)CC1,
+[Br][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][O],Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O,0,BNQCGJHFIWENNV-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3cccc(Br)c3)C2O)c1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][C][N][=C][Branch2][Ring1][Ring2][N][C][Branch1][O][C][C][=C][S][C][=C][Ring1][Branch1][C][#C][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3C#C)C(=O)[O-])c2cc1)(C)C,0,DBCNRIMRHOEKJO-UHFFFAOYSA-M,,,,C#Cc1cscc1CC(NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)[O-],
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][=Branch2][S][C][C][Ring1][=Branch1][C][Ring1][#Branch1][N],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N,0,PXQWSONWLAAKGA-UHFFFAOYSA-N,,,CHEMBL2403771,,389365.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(cnc1)CC(C)(C)C,0,WETWCOGJYRYKDB-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cncc(CC(C)(C)C)c2)CC1,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][Branch1][=C][C][C][Ring1][=Branch1][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][Branch1][C][C][C][C][=C][Ring1][P],Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1,0,HANZPKHAZCWEQZ-UHFFFAOYSA-N,,,CHEMBL2349487,,382586.0
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],FC(F)(F)Oc1ccc(cc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)-c1cncnc1,0,FYQZYBSHWLRFKL-QFIPXVFZSA-O,,,,NC1=[NH+]C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN21,
+[S][C][C][=Branch2][Ring2][=Branch1][=N][C][Ring1][Branch1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N],S1CC(=NC1(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1)N,0,JFLAZALMCCYJTK-UHFFFAOYSA-N,,,CHEMBL2380455,,384802.0
+[O][C][Branch2][Ring2][O][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][C][C][Ring1][=Branch1][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C],OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)C(C)C)Cc1ccccc1)CC(C(=O)NCCCC)C,0,YCKCGNOTIFRWCX-UHFFFAOYSA-N,,,,CCCCNC(=O)C(C)CC(O)C(Cc1ccccc1)NC(=O)C1CCCC(C(NC(C)=O)C(C)C)C1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][=O],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1=O,0,BYVHUPDBTJVHPS-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCCC3=O)c2)CCCCC1,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],Fc1ncccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,OBYZGFIQLJUGCH-UHFFFAOYSA-N,,,CHEMBL2177335,,366360.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C],O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCN(CC1)C(=O)C,0,YPIBLSYFISDICP-UHFFFAOYSA-N,,,CHEMBL2180036,,367703.0
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][#Branch2][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ncccc2)cc1,0,UZBWQGRHZWIKNZ-UHFFFAOYSA-N,,,CHEMBL1091592,,217525.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC(C)C,0,CRIKADMEFALWEC-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(CC(C)C)c2)CCCCC1,
+[O][=C][N][Branch2][Ring2][#Branch2][C][C][=Branch2][Ring2][Ring2][=N][C][Ring1][=Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#N][=C][C][=C][Ring1][P][N][C],O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C,0,MFNPKKFGRAJHQS-UHFFFAOYSA-N,,,CHEMBL1923294,,339928.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][C][=C][Ring1][N],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1,0,WLNJAXBWILAYMG-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CCCC3=O)c2)CCCCC1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][#Branch1][N][=C][Branch2][Ring1][=Branch2][N][C][Branch1][S][C][C][=C][S][C][=C][Ring1][Branch1][C][O][C][=C][N][=Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3-c3occn3)C(=O)[O-])c2cc1)(C)C,0,ZEJNQUIGUGMNSK-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2-c2ncco2)C(=O)[O-])=N1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#C][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][=C][Branch1][Branch1][NH1][N][=Ring1][Branch1][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc([nH]n1)C([NH3+])(Cc1ccccc1)C)C,0,HFGSXFMUOCGIOG-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(-c2n[nH]c(C(C)([NH3+])Cc3ccccc3)n2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[Cl][C][=C][C][=Branch1][#C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=NH2+1][N][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][N][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C],Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)CN(S(=O)(=O)C)C,0,LATLLAPFEMANDI-UHFFFAOYSA-O,,,,CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])NC(=O)Cn2ccc3ccc(CN(C)S(C)(=O)=O)cc32)cc1Cl,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccccc2)cc1,0,KFHXWAOFTXCHCN-UHFFFAOYSA-N,11532527.0,"cid is 11532527,compound_name is 6-[2-(2-Chlorophenyl)-5-(4-phenoxyphenyl)pyrrol-1-ylmethyl]pyridin-2-ylamine,cid_paras is 11532527,Molecular_Weight is 451.9,XLogP3 is 6.4,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 6,Exact_Mass is 451.1451400,Monoisotopic_Mass is 451.1451400,Topological_Polar_Surface_Area is 53.1,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 592,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1091343,,217522.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch2][Ring1][Branch2][C][C][C][N][Branch1][Ring2][C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C,0,AYXDUHYECACATH-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCCN(C(=O)OCc2ccccc2)C1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Branch2][=N][C][Ring1][=Branch1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][Branch1][=Branch1][C][=C][C][=Ring1][Branch1][C][=C][C][=C][Ring1][#C][N],O=C1N(C)C(=NC1(C1CCCCC1)c1cc(NC(=O)c2n(ccc2)C)ccc1)N,0,BLPHJRSVVFXPQF-UHFFFAOYSA-N,,,CHEMBL591070,,206951.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(OCc1ccccc1)=O)C(O)C[NH2+]Cc1cc(OC)ccc1,0,GYFVYFJOAVKYGL-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2cc(C(=O)OCc3ccccc3)ccc21,
+[O][Branch1][Branch1][C][C][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2],O(CCCC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0,JJIVIBNFUQPABT-UHFFFAOYSA-N,,,CHEMBL585286,,206084.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=N][N][Branch1][Branch1][C][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nn(cc1)CC(C)(C)C,0,QGQLMQKKRGXLTO-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ccn(CC(C)(C)C)n2)CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][Ring1][C][C][C][C][Ring1][=N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1][O],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2O,0,DYAVMDXKNKDORY-UHFFFAOYSA-O,,,,CCC(C)C1(NC(C)=O)CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3cccc(O)c3C[NH2+]2)C1=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][C][C][=C][C][Branch1][Ring1][C][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][#Branch2][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][S],S1(=O)(=O)CC(Cc2cc(CC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,ORGFAXNNSAIXQN-UHFFFAOYSA-O,,,,CCc1cc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)(C)C)c3)C2O)cc(F)c1N,
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2],FC(F)(F)Oc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1ccc(OC)nc1,0,FPLFNFQJKPTNSQ-UHFFFAOYSA-N,,,CHEMBL566212,,206124.0
+[F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C],FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CC,0,NZFUCYDGINQVLA-LJQANCHMSA-N,,,CHEMBL1269919,,232222.0
+[F][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],Fc1c(cccc1OC)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,NSIJUJTVSFVOSJ-UHFFFAOYSA-N,,,CHEMBL2177332,,366357.0
+[F][C][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],Fc1ncc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,LAAVYBPGVCLXQE-UHFFFAOYSA-N,,,,COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3ccc(F)nc3)ccc1O2,
+[S][Branch2][=Branch1][Branch1][O][C][=C][Branch2][Branch1][Branch2][N][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Ring2][Ring2][#Branch1][=Branch1][C][=O][=O],S1(Oc2c(N1c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)cccc2)(=O)=O,0,IEFNQMINVHIYBY-UHFFFAOYSA-O,,,,O=C(NC(Cc1ccccc1)C(O)C[NH2+]Cc1cccc(C(F)(F)F)c1)c1cccc(N2c3ccccc3OS2(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=N][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][F][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C,0,XUQLLZRPXRLNKI-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(COCC([NH3+])(Cc2ccccc2)C(F)F)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][C][N][Branch2][Branch1][=Branch1][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ccc1C)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C,0,HYNKIPABGATMMG-UHFFFAOYSA-O,,,,Cc1ccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1N(c1ccccc1)S(C)(=O)=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1,0,MOWKTBNHXQTNKZ-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCCC3)c2)CCCCC1,
+[O][=C][N][Branch1][O][C][C][C][C][C][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][#Branch1][=N][C][Ring1][=N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(CCCCCC(=O)[O-])C(=NC1(C1CCCCC1)c1ccccc1)N,0,RRIUOHGQLUNAMR-UHFFFAOYSA-M,,,,NC1=NC(c2ccccc2)(C2CCCCC2)C(=O)N1CCCCCC(=O)[O-],
+[Cl][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][Branch2][Ring1][=N][C][C][Ring1][=Branch1][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][=Branch1][N][=C][Ring2][Ring1][=N],Clc1cc2c(OC3(CC2[NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CCC3)nc1,0,GAJBSPCTRUBDAK-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncc(Cl)cc21,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][#Branch2][N][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Nc2cncnc2)cc1,0,CMRVVFISLQYZNR-UHFFFAOYSA-N,11546946.0,"cid is 11546946,compound_name is N-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenyl)pyrimidin-5-amine,cid_paras is 11546946,Molecular_Weight is 452.9,XLogP3 is 4.6,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 6,Exact_Mass is 452.1516224,Monoisotopic_Mass is 452.1516224,Topological_Polar_Surface_Area is 81.6,""Unit"":""Ų"",Heavy_Atom_Count is 33,Formal_Charge is 0,Complexity is 593,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1093806,,217637.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][Branch1][Branch2][N][N][=C][C][=C][Ring1][Branch1][=C][C][=C][Ring1][O],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1,0,FJIMJPFTRLZRAJ-XZOQPEGZSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-n3cccn3)c2)CC1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][#Branch1][=N][C][Ring1][=Branch1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC1(C1CCCCC1)c1ccccc1)N,0,FEZQZQTWDYTJPE-UHFFFAOYSA-N,,,CHEMBL599965,,206910.0
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][C][C][C][=C][C][Branch1][Ring2][C][C][O][=C][Branch1][C][O][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][#C],S1(=O)(=O)CC(Cc2cc(CCO)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0,UAFFQIGZGPYEIP-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(O)c(CCO)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][F][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CF)C(=O)NC(C)c1ccc(F)cc1)C,0,JHRQPLYTEMBTKO-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(COCC([NH3+])(CF)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][C][C][N][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][=N],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCNC2=O)ccc1,0,ZKBURWOWKRJMHV-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CCCNC3=O)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][C][C][C][Ring1][=Branch2][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2,0,GUUJUIXBOCRPLX-UHFFFAOYSA-O,,,,CCCCC1CCN(C(CCc2ccccc2)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3ccccc3C[NH2+]2)C1=O,
+[S][C][C][C][=Branch2][Ring1][#Branch2][=N][C][Ring1][=Branch1][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][N],S1CCC(=NC1(C)c1cc(ccc1)-c1cncnc1)N,0,JSYIAPKPQCPSGC-UHFFFAOYSA-N,,,CHEMBL2380445,,384792.0
+[Cl][C][=C][C][=Branch1][#C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=NH2+1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2],Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cccc2)cc1,0,PTYGSLKLIDGJBA-UHFFFAOYSA-O,,,,CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])NC(=O)Cn2ccc3ccccc32)cc1Cl,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C,0,GTDYUUXEUKWIMF-UHFFFAOYSA-N,,,CHEMBL2403761,,389355.0
+[O][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],O1CCCC1CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1,0,DWDSPZQJZVOFAW-UHFFFAOYSA-N,,,CHEMBL592534,,206587.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][#Branch1][=N][C][Ring1][=Branch1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][N],O=C1N(C)C(=NC1(C1CCCCC1)C1CCCCC1)N,0,IAMIFCZOYVOTFD-UHFFFAOYSA-N,,,CHEMBL589163,,206911.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],Fc1cc(cc(F)c1)CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1,0,QUKQOEWZOAXBOR-UHFFFAOYSA-N,,,CHEMBL592533,,206586.0
+[Cl][C][=C][C][C][C][Branch2][Ring2][O][N][=C][Branch2][Ring1][=N][N][C][Branch2][Ring1][Ring1][C][C][=C][S][C][=C][Ring1][Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn(nc3)C)C(=O)[O-])c2cc1)(C)C,0,XMEXRVHVRQQFAQ-UHFFFAOYSA-M,,,,Cn1cc(-c2cscc2CC(NC2=NC(C)(C)Cc3cc(Cl)ccc32)C(=O)[O-])cn1,
+[S][C][=C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],s1cc(nc1N)C(Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1,0,PBSYABIBXNOMBJ-UHFFFAOYSA-N,,,CHEMBL466025,,179675.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=Ring1][Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)-c1occc1,0,KEDWPGTVUZDEGU-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-c3ccco3)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][S][N][Branch1][Ring2][C][=Ring1][Branch1][C][Branch1][=Branch1][O][C][C][C][C][=O][C][=C][C][=C][Ring1][#C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(OCCCC)=O)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1,0,JLEHPZJSWDMECE-UHFFFAOYSA-O,,,,CCCCOC(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][O],S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0,LCGDGEISYQZCHX-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccccc3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][P][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][S],S1(=O)(=O)CC(Cc2cc(ccc2)COCCC)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0,AEZXMYXSAYELNI-UHFFFAOYSA-O,,,,CCCOCc1cccc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)C(O)C1[NH2+]Cc2c(C1)cccc2,0,OAYGVALPPHEIOB-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cccc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3ccccc3C[NH2+]2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][#Branch2][C][Branch2][Ring1][S][C][C][Branch2][Ring1][#Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch2][NH1][N][=C][Ring1][Branch1][C][C][C][=C][Ring1][O][C][C][N][Ring2][Ring1][=Branch2][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc3c([nH]nc3CC)cc2)C)CN1C)c1cc(F)ccc1,0,FUWIMDVZJVRXTN-UHFFFAOYSA-O,,,,CCc1n[nH]c2ccc(C[NH+]3CCC4(CC3C)CN(C)S(=O)(=O)N4c3cccc(F)c3)cc12,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][Branch1][O][C][C][C][C][=C][Ring1][#Branch2],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCC)cc1,0,NWHRLRATRMUBMO-UHFFFAOYSA-N,11676068.0,"cid is 11676068,compound_name is 6-((2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine,cid_paras is 11676068,Molecular_Weight is 417.9,XLogP3 is 5.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 7,Exact_Mass is 417.1607901,Monoisotopic_Mass is 417.1607901,Topological_Polar_Surface_Area is 53.1,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 513,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1089788,,217930.0
+[Cl][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O][F],Clc1cccc(-c2cc3c(Oc4c(cc(OC)cc4)C34N=C(OC4)N)cc2)c1F,0,HPIQWCZVOWLGJL-UHFFFAOYSA-N,,,CHEMBL2177329,,366354.0
+[O][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccccc1,0,GOFHXNZNUWXPRS-UHFFFAOYSA-N,,,CHEMBL2177320,,366345.0
+[O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NC1CC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0,WMHJMUMMYDAGHE-UHFFFAOYSA-N,11567707.0,"cid is 11567707,compound_name is 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-cyclopropylbenzamide,cid_paras is 11567707,Molecular_Weight is 408.5,XLogP3 is 4,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 6,Exact_Mass is 408.19501140,Monoisotopic_Mass is 408.19501140,Topological_Polar_Surface_Area is 72.9,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 594,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1093120,,218016.0
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][P][C][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][=C],S1(=O)(=O)CC(Cc2cc(CO)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0,GDDUFVNKGWWPLA-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(O)c(CO)c3)C2O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1],Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C1[NH2+]Cc2c(C1)cccc2,0,FYMFLFJIGGNMRC-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3ccccc3C[NH2+]2)c2cccnc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][=Branch2][C][Branch2][Ring1][#C][C][C][Branch2][Ring1][=Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][Ring2][O][C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OCC)c(O)cc2)C)CN1C)c1cc(F)ccc1,0,DEFLCPSFZIHYEF-UHFFFAOYSA-O,,,,CCOc1cc(C[NH+]2CCC3(CC2C)CN(C)S(=O)(=O)N3c2cccc(F)c2)ccc1O,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1,0,ZRSKBWQUUIETSK-UHFFFAOYSA-N,,,,NC1=NC(c2ccc(OC(F)F)cc2)(c2cccc(-c3cccnc3F)c2)CO1,
+[O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][#Branch1][=N][C][Ring1][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(Cc2ccccc2)C(=NC1(C1CCCCC1)c1ccccc1)N,0,AZYGPVIFZHZTAH-UHFFFAOYSA-N,,,CHEMBL585215,,206585.0
+[F][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],FCCOc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1,0,WKKSAUFKGYEBTL-SFHVURJKSA-N,,,CHEMBL1269918,,232221.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][Branch1][C][O][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C,0,GVKYDQWBJNYKLF-UHFFFAOYSA-N,,,,CNC(=O)c1cc(C(=O)NC(COCc2cc(F)cc(F)c2)C(O)CC(C)C(=O)NC(C(=O)NCc2ccccc2)C(C)C)cc(N(C)S(C)(=O)=O)c1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][#Branch1][N][=C][Branch2][Ring1][=Branch2][N][C][Branch1][S][C][C][=C][S][C][=C][Ring1][Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C,0,AJLMEBVBHHQLGT-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2-c2cc[nH]n2)C(=O)[O-])=N1,
+[N][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1,0,TVFLMALGICYVSV-UHFFFAOYSA-N,,,CHEMBL2180022,,367689.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][S][=N][C][Branch1][Ring2][C][Ring1][#Branch1][Branch2][Ring1][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N],O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N,0,CWIATWAMZSVNNY-UHFFFAOYSA-N,11638363.0,"cid is 11638363,compound_name is 2-amino-6-(2-biphenyl-3-yl-ethyl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one,cid_paras is 11638363,Molecular_Weight is 321.4,XLogP3 is 2.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 2,Rotatable_Bond_Count is 4,Exact_Mass is 321.184112366,Monoisotopic_Mass is 321.184112366,Topological_Polar_Surface_Area is 58.7,""Unit"":""Ų"",Heavy_Atom_Count is 24,Formal_Charge is 0,Complexity is 483,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL239640,,150228.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][#C][C][C][C][N][Branch1][Ring2][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)C)c1cc(ccc1)C(C)(C)C,0,PMWAUAFQTSGIKR-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCCN(C(C)=O)C1,
+[O][C][Branch2][Ring2][=N][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][Branch1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C],OC(C(NC(=O)c1cc(N(C(=O)C)c2ccccc2)ccc1)Cc1ccccc1)C[NH2+]C(C(=O)NC1CCCCC1)C,0,ILNUAJPKWXVLNB-UHFFFAOYSA-O,,,,CC(=O)N(c1ccccc1)c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C)C(=O)NC2CCCCC2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][=N],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1,0,HKSCWIPGCWNQID-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CCOCC3=O)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][=C][C][=C][Ring1][N],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1,0,YXVNISVSDYADOS-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CCOC3=O)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)(C)C,0,GUUXSDASFBPWFQ-FCHUYYIVSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cccc(C(C)(C)C)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)(F)F)=C,0,PMWZKFRZXLTHEJ-FCHUYYIVSA-O,,,,C=C(c1cccc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CC2)c1)C(F)(F)F,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#C][N][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Branch2][Ring1][=Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=C][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C],S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC(C)C)ccc1)C,0,CYNJHNQWUQFBEA-UHFFFAOYSA-O,,,,CC(C)Oc1cccc(C[NH+]2CCC3(CNS(=O)(=O)N3c3cccc(F)c3)CC2C)c1,
+[O][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][C][Branch2][Ring1][=Branch1][C][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][Branch1][C][C][C],O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C,0,INXKKZAEXZKHNZ-UHFFFAOYSA-N,,,CHEMBL2349466,,382565.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][=Branch1],O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1,0,DMXXMELVGMWDME-UHFFFAOYSA-N,,,CHEMBL594896,,207000.0
+[F][C][=C][Branch1][#C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1c(cccc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,0,GYXAUJZSDKKZRQ-UHFFFAOYSA-N,,,CHEMBL566404,,206112.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0,KWOISCWHVUWIQV-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(COCC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][N][=C][Branch1][C][N][C][N][Branch1][C][C][C][Ring1][Branch2][=O][C],FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C,0,SLPXAQFTHUFTML-UHFFFAOYSA-N,,,CHEMBL1923295,,339929.0
+[F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N][=C][Ring1][Branch2][N][Branch1][#C][C][=C][C][=Branch1][=Branch2][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],Fc1c2c(ccc1)C(N=C2N)(c1cc(nc(c1)C)C)c1cc(ccc1)-c1cncnc1,0,VBXIQPLJRJDWHB-UHFFFAOYSA-N,,,CHEMBL2177910,,366652.0
+[O][=C][N][Branch1][#Branch1][C][C][C][C][C][C][C][=Branch2][Ring1][#Branch1][=N][C][Ring1][O][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(CCCCCC)C(=NC1(C1CCCCC1)c1ccccc1)N,0,ASRKRRQDKDMWOY-UHFFFAOYSA-N,,,CHEMBL593979,,207002.0
+[F][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Fc1ccc(cc1-c1cncnc1)[C@@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1,0,RNJTYVPMRSKRKE-FQEVSTJZSA-N,11539562.0,"cid is 11539562,compound_name is (5r)-2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one,cid_paras is 11539562,Molecular_Weight is 445.4,XLogP3 is 3.2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 9,Rotatable_Bond_Count is 4,Exact_Mass is 445.11618739,Monoisotopic_Mass is 445.11618739,Topological_Polar_Surface_Area is 93.7,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 722,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 1,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL566632,,206100.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][=C][C][=C][Ring1][N],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1,0,FKHMBXUPOKQOFP-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CCNC3=O)c2)CCCCC1,
+[Br][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][NH2+1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][O],Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(OC(C)C)ccc2)C1O,0,JCBBGNMACVVSAK-UHFFFAOYSA-O,,,,CC(C)Oc1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(O)c(Br)c3)C2O)c1,
+[N][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1],n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1,0,LQZWYEXWILDROH-UHFFFAOYSA-N,,,CHEMBL2180034,,367701.0
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1,0,TVFYWSHHVQUWML-INIZCTEOSA-N,,,CHEMBL1271451,,232984.0
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C],FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC,0,UZPWRQOCXKHIDG-UHFFFAOYSA-O,,,,CCCc1cccc(C2(c3ccc(OC(F)(F)F)cc3)[NH+]=C(N)N3CCCN=C32)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][NH1][N][=C][Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][#C],S1(=O)(=O)CC(Cc2cc3c([nH]nc3)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,BEVHHCFYKZXXNE-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc4[nH]ncc4c3)C2O)c1,
+[F][C][Branch1][C][F][C][=C][Branch1][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][Branch2][Branch1][C][C][C],FC1(F)c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,VCWNHNVDZQGTBB-UHFFFAOYSA-N,,,CHEMBL2349482,,382581.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][S][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,LSTHODNAKCJZGR-UHFFFAOYSA-N,,,,COC(CNc1ccccc1)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][Ring1][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccc(F)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,YDMGIZFKZZHPBQ-UHFFFAOYSA-N,,,,COC(CNc1ccc(F)cc1)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][=Branch1][#C][C][=C][N][Branch2][=Branch1][Ring2][C][=C][Branch2][Branch1][=N][C][Ring1][Branch1][=C][Branch1][Branch1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch2][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][Ring2][Ring2][S][C],S1(=O)(=O)N(c2c3n(cc(c3c(cc2)C(=O)NC(C(O)CC(OC)COCc2ccc(OC)cc2)COc2cc(F)cc(F)c2)CC)CC1)C,0,DVDWJHOETXTLAZ-UHFFFAOYSA-N,,,,CCc1cn2c3c(ccc(C(=O)NC(COc4cc(F)cc(F)c4)C(O)CC(COCc4ccc(OC)cc4)OC)c13)N(C)S(=O)(=O)CC2,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][C][=C][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CC)CC)cccc2)Cc1ccccc1,0,PVHHUSIWNLENQQ-UHFFFAOYSA-O,,,,CCN(CC)C(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][S][C][Branch2][Ring1][#C][C][C][Branch2][Ring1][=Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1,0,CPNYKYVZIZDRFM-UHFFFAOYSA-O,,,,CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(c2ncccn2)S(=O)(=O)N3c2cccc(F)c2)c1,
+[O][Branch1][C][C][C][=C][Branch2][Ring2][O][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C@@][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C],O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C,0,PZSMDBYYYKPYFV-HSZRJFAPSA-N,,,CHEMBL2180029,,367696.0
+[Cl][C][=C][C][Branch1][C][F][=C][Branch1][Branch1][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],Clc1cc(F)c(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,MZAQHZZELBJHGJ-UHFFFAOYSA-N,,,CHEMBL2177330,,366355.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][O][C][=Branch1][Branch1][=C][N][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C,0,GRQMATBKELVAAS-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ncc(C(C)(C)C)o2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][Ring1][O],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(-n2ccnc2)ccc1,0,AGZWJSVSGAGFQV-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-n3ccnc3)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][C][C][C][Ring1][=Branch2][=O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2,0,YBPZORZQECJLAQ-UHFFFAOYSA-O,,,,CCCCC1CCN(C(C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3ccccc3C[NH2+]2)C1=O,
+[Cl][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][NH1+1][C][C][C][Branch2][Ring1][=N][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][Ring1][#Branch1][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][C],Clc1cc(ccc1O)C[NH+]1CCC2(N(S(=O)(=O)N(C2)C)c2cc(F)ccc2)CC1C,0,OPALZHQMUWJZMW-UHFFFAOYSA-O,,,,CC1CC2(CC[NH+]1Cc1ccc(O)c(Cl)c1)CN(C)S(=O)(=O)N2c1cccc(F)c1,
+[S][C][=Branch1][#C][=C][C][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring2][Ring1][Branch1],s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1,0,CZKXEGXIEYHWJE-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ccc(CC(C)(C)C)s2)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][N],S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,JAWVPFIYGLWMSP-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccccc3)C2O)c1,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][C][C][=C][Ring1][O],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC)cc1,0,HPSRCEODDNJXQV-UHFFFAOYSA-N,11647679.0,"cid is 11647679,compound_name is 6-((2-(4-butoxyphenyl)-5-(2-chlorophenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine,cid_paras is 11647679,Molecular_Weight is 432.0,XLogP3 is 6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 8,Exact_Mass is 431.1764402,Monoisotopic_Mass is 431.1764402,Topological_Polar_Surface_Area is 53.1,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 527,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1090119,,217931.0
+[O][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C],O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cc(ccc1)C,0,NWMFBKUHCMUGKM-UHFFFAOYSA-N,,,CHEMBL2177322,,366347.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCCC1,0,OPNYLVKDDWJTDR-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCCCO3)c2)CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][NH2+1][C@@][Branch1][=Branch1][C][C@H1][Ring1][Ring1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][F][F][Branch1][C][C][C],Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@@]1(C[C@H]1C)c1cc(ccc1)C(C(F)F)(C)C,0,QGKXETIHOAJKQD-LUQKAGKMSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C(F)F)c2)CC1C,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH1+1][C][C][C][Branch2][Ring1][#Branch2][N][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C],Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C,0,ZNJPYGAZHWKTMZ-UHFFFAOYSA-O,,,,CC1CC2(CC[NH+]1Cc1cccc(-c3ccccc3Cl)c1)CNS(=O)(=O)N2c1cccc(F)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][#Branch2][C][Branch2][Ring1][#C][C][C][Branch2][Ring1][=Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][Branch2][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1CC)c1cc(F)ccc1,0,WNTZNMGYVTUUFE-UHFFFAOYSA-O,,,,CCN1CC2(CC[NH+](Cc3cccc(OC(C)C)c3)C(C)C2)N(c2cccc(F)c2)S1(=O)=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][#C][C][Branch2][Ring1][#C][C][C][Branch2][Ring1][=Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][Branch2][C][O][C][=C][N][=Ring1][Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1occn1)c1cc(F)ccc1,0,XZOORKHGEHGJDG-UHFFFAOYSA-O,,,,CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(c2ncco2)S(=O)(=O)N3c2cccc(F)c2)c1,
+[O][C][=C][Branch2][Ring1][Ring1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C],O1c2c(cc(cc2)-c2ccccc2OC)C2(N=C(N)N(C)C2=O)CC1(C)C,0,QWZYNEXSMYMWHV-UHFFFAOYSA-N,,,CHEMBL2349615,,382672.0
+[Cl][C][=C][C][=Branch2][Ring1][Ring1][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][N][C][=Branch1][C][=NH2+1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2],Clc1cc(cc(Cl)c1NC(=O)C(C)C)CNC(=[NH2+])NC(=O)Cn1c2c(cccc2)cc1,0,UYXNDJUZUTYNLG-UHFFFAOYSA-O,,,,CC(C)C(=O)Nc1c(Cl)cc(CNC(=[NH2+])NC(=O)Cn2ccc3ccccc32)cc1Cl,
+[S][C][=C][Branch2][Ring2][#C][C][=C][Ring1][Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2][C][C],s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC,0,FCURJCJIDCTWIK-UHFFFAOYSA-O,,,,CCc1csc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1,
+[O][=C][Branch1][#Branch1][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NC(C)C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0,JNLDTSJNIMEHPC-UHFFFAOYSA-N,11517146.0,"cid is 11517146,compound_name is 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-isopropylbenzamide,cid_paras is 11517146,Molecular_Weight is 410.5,XLogP3 is 4.3,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 6,Exact_Mass is 410.21066147,Monoisotopic_Mass is 410.21066147,Topological_Polar_Surface_Area is 72.9,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 568,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1092228,,218015.0
+[O][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C],O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccc(cc1)C,0,XJPGCXFUFOVMHC-UHFFFAOYSA-N,,,CHEMBL2177323,,366348.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=C][N][Branch1][C][C][C][=N][C][Branch1][N][N][Branch1][Branch2][C][C][C][C][Ring1][Ring1][C][C][=C][C][=Branch1][Ring2][=C][Ring1][=N][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch2][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C],S(=O)(=O)(N(C)c1nc(N(CC2CC2C)C)cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C,0,RXINPIWPWMGNDV-UHFFFAOYSA-N,,,,COc1ccc(COCC(CC(O)C(COc2cc(F)cc(F)c2)NC(=O)c2cc(N(C)CC3CC3C)nc(N(C)S(C)(=O)=O)c2)OC)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][N],S1(=O)(=O)CC(Cc2ccc(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0,YJFRNEHCLIEELY-UHFFFAOYSA-O,,,,CC(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(O)cc3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#C][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][N][=C][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C,0,VUPFGNXZZQQIIN-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(-c2nc(C(C)([NH3+])Cc3ccccc3)no2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=N][N][Branch1][Branch1][C][=C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)C(C)(C)C,0,LXCXUXXDBGEDFP-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ccn(C(C)(C)C)n2)CCCCC1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][Branch2][N][=C][Branch2][Ring1][#Branch2][N][C][Branch1][P][C][C][=C][S][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3-c3ccncc3)C(=O)[O-])c2cc1)(C)C,0,SVIKQLFUAYPCLK-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2-c2ccncc2)C(=O)[O-])=N1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=C][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][Ring1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][C][C][C][Ring1][Ring1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,YEGCOOWNYOLWNB-UHFFFAOYSA-N,,,,COC(COCC1CC1)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][Branch1][=C][N][C][C][C][Branch1][Branch1][C][C][Ring1][Branch1][C][Ring1][#Branch1][=C][C][=C][Ring1][=N],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1,0,HBESBLSFMMMSSP-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CC4CCC3C4)c2)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][N][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][S][C][=C][C][Branch2][Ring2][Ring2][C][O][C][C][Branch1][=Branch1][N][C][Ring1][P][=O][C][Branch1][C][O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][O][C][C][C][O][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(c1cc(COCC(NC2=O)C(O)CC(C(C)C)C(=O)NCC(C)C)ccc1)CCCOC)C,0,FUEBVLZNNDKTAY-UHFFFAOYSA-N,,,,COCCCC1NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)NC(C(O)CC(C(=O)NCC(C)C)C(C)C)COCc2cccc1c2,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][Branch1][=C][C][C][Ring1][=Branch1][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][Branch1][C][C][C][C][=C][Ring1][P],Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1,0,CWDVWPCLVARJIH-UHFFFAOYSA-N,,,CHEMBL2349465,,382564.0
+[Cl][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][C][F][C][=C][Ring2][Ring1][O],Clc1cc(-c2cc(ccc2)C2(N=C(OC2)N)c2ccc(OC)cc2)c(F)cc1,0,UUWQNWDGYVGXQT-UHFFFAOYSA-N,,,CHEMBL2177310,,366334.0
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C],Fc1ncccc1-c1cc(ccc1)[C@@]1(N=C(N)N(C)C1=O)c1cn(nc1)CC,0,IKJXVRPWMOVIMY-HXUWFJFHSA-N,,,CHEMBL1824335,,334043.0
+[Cl][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][Branch1][=C][C][C][Ring1][=Branch1][N][=C][Branch1][Branch1][S][C][Ring1][Branch1][N][Branch1][C][C][C][C][=C][Ring1][P],Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(SC3)N)(C)C)cc1,0,GXHBPHNVZKIEND-UHFFFAOYSA-N,,,CHEMBL2349488,,382587.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C][C][C][Branch1][Ring1][O][C][C][O][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CC(OC)COC)C(O)C[NH2+]Cc1cc(OC)ccc1,0,KYMQDOPUMYXEES-UHFFFAOYSA-O,,,,CCCN(CCC)C(=O)c1cc(CC(COC)OC)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1,
+[S][C][C][Branch1][=Branch2][N][=C][Branch1][C][N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1,0,KTKIYDOZUNZLBC-UHFFFAOYSA-N,,,CHEMBL2380448,,384795.0
+[S][C][C][C][Branch1][=Branch1][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1,0,XMHWIBGIDNZGAB-UHFFFAOYSA-N,,,CHEMBL2380449,,384796.0
+[Cl][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,DXRYFIGXKYTLSD-UHFFFAOYSA-N,,,CHEMBL2177326,,366351.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(OC1)N)C,0,ZMKAMDGWIKQUEJ-UHFFFAOYSA-N,,,,CC1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)COC(N)=N1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][#Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring2][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][S][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][C][=C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,HFPGTVLJKUWCHH-UHFFFAOYSA-N,,,,C=CCOCC(CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)OC,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#C][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][=C][Branch1][Branch1][O][N][=Ring1][Branch1][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C,0,IFSSCWNNZXMEGN-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(-c2noc(C(C)([NH3+])Cc3ccccc3)n2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],Clc1cc(ccc1)-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC)cc1,0,METABQXTPBWILS-UHFFFAOYSA-N,,,CHEMBL2177311,,366335.0
+[O][=C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][#Branch2][N][C][Ring2][Ring1][Branch1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][C][Ring1][=Branch1][=N],O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N,0,MHTSJVOUZBIRNW-UHFFFAOYSA-N,,,CHEMBL571249,,202909.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC(C)(C)C,0,KKVGRVMFGDXUFX-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(CC(C)(C)C)c2)CCCCC1,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][P][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][Ring2][=N][Ring1][Branch2][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1)C1(N=C(C(C)C)C(=N1)N)c1cc(ccc1)-c1cncnc1,0,SFBOKXSMKXLXQE-UHFFFAOYSA-N,,,CHEMBL2180021,,367688.0
+[Cl][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],Clc1cnccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,MHDKYTBPSDCHMH-UHFFFAOYSA-N,,,,COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3ccncc3Cl)ccc1O2,
+[S][C][=C][N][=C][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][#Branch1][C][Branch2][Ring1][#C][C][C][Branch2][Ring1][=Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch2][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],s1ccnc1N1S(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)C1)c1cc(F)ccc1,0,HZDBHXACFJDRIT-UHFFFAOYSA-O,,,,CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(c2nccs2)S(=O)(=O)N3c2cccc(F)c2)c1,
+[Cl][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1,0,UKYITZHCXATSAD-UHFFFAOYSA-N,,,CHEMBL566007,,206123.0
+[O][=C][Branch1][Ring2][N][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NCC)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0,NUIFIDDTXFLIIH-UHFFFAOYSA-N,11710986.0,"cid is 11710986,compound_name is 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-ethylbenzamide,cid_paras is 11710986,Molecular_Weight is 396.5,XLogP3 is 3.8,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 6,Exact_Mass is 396.19501140,Monoisotopic_Mass is 396.19501140,Topological_Polar_Surface_Area is 72.9,""Unit"":""Ų"",Heavy_Atom_Count is 30,Formal_Charge is 0,Complexity is 541,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1090145,,217965.0
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][S][C][C][=C][C][Branch1][Branch1][O][C][C][C][=C][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][#C],S1(=O)(=O)CC(Cc2cc(OCCC)ccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0,GNBXYKBHOVNHLC-UHFFFAOYSA-O,,,,CCCOc1cccc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][=N][C][Branch2][Ring1][#C][C][C][Branch2][Ring1][=Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][Branch2][C][Branch1][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C(C)C)c1cc(F)ccc1,0,LKFLONPUNYWUSP-UHFFFAOYSA-O,,,,CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(C(C)C)S(=O)(=O)N3c2cccc(F)c2)c1,
+[O][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C],O(C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0,QOCDRKDIKYEXFE-QDXQZTBOSA-N,,,CHEMBL1099361,,220247.0
+[O][C][=C][Branch1][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C],O1c2c(cc(cc2)-c2ncccc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,DCRSZXJBBQEETJ-UHFFFAOYSA-N,,,CHEMBL2349502,,382601.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][=C][C][Branch1][Branch2][N][N][=C][C][=C][Ring1][Branch1][=C][C][=C][Ring1][O],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOC1)c1cc(-n2nccc2)ccc1,0,UETRWAZKCGRCEM-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-n3cccn3)c2)CCOC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][Branch1][=C][N][C][C][C][Branch1][Branch1][O][C][Ring1][Branch1][C][Ring1][#Branch1][=C][C][=C][Ring1][=N],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1,0,VVZYJILCHBDRDY-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CC4CC3CO4)c2)CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1ncnc(c1)C(C)(C)C,0,VVWGMEIQTOBDML-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(C(C)(C)C)ncn2)CCCCC1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][Branch1][N][=C][Branch2][Ring1][#Branch1][N][C][Branch1][=C][C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3cscc3C3CC3)C(=O)[O-])c2cc1)(C)C,0,OZBUXWOUSGHJPH-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2C2CC2)C(=O)[O-])=N1,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1,0,YCLYXZNWHAWIQN-UHFFFAOYSA-N,11574638.0,"cid is 11574638,compound_name is 6-((2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine,cid_paras is 11574638,Molecular_Weight is 389.9,XLogP3 is 4.8,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 5,Exact_Mass is 389.1294900,Monoisotopic_Mass is 389.1294900,Topological_Polar_Surface_Area is 53.1,""Unit"":""Ų"",Heavy_Atom_Count is 28,Formal_Charge is 0,Complexity is 485,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1093152,,217904.0
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],Clc1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1,0,QWEOCJPATDOXQJ-UHFFFAOYSA-N,,,CHEMBL578410,,206121.0
+[Br][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O],Brc1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1,0,RNTPFGORJAAXJQ-GOSISDBHSA-O,,,,NC1=[NH+]C(c2ccc(OC(F)(F)F)cc2)(c2cccc(Br)c2)C2=NCCCN21,
+[N][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],n1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)Cc1ccccc1,0,JZSBGJKGAXFRFW-UHFFFAOYSA-N,,,,CC1=NC(Cc2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N,
+[O][=C][Branch2][Branch1][Branch2][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2],O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1,0,OZXAUNWWVJYQMW-FLXBVFITSA-N,,,CHEMBL1099022,,220233.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][#Branch1][=N][C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC1(c1ccccc1)c1ccncc1)N,0,IMGNUVBMHZZYCN-UHFFFAOYSA-N,15951413.0,"cid is 15951413,compound_name is 2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one,cid_paras is 15951413,Molecular_Weight is 266.30,XLogP3 is 0.9,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 2,Exact_Mass is 266.11676108,Monoisotopic_Mass is 266.11676108,Topological_Polar_Surface_Area is 71.6,""Unit"":""Ų"",Heavy_Atom_Count is 20,Formal_Charge is 0,Complexity is 410,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL597233,,210780.0
+[O][C][Branch2][Ring2][N][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][C][C][Ring1][=Branch1][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C],OC(C(NC(=O)C1CC(CCC1)C1(NC(=O)C)CCCC1)Cc1ccccc1)CC(C(=O)NCCCC)C,0,GHBPZWZTVLXXSE-UHFFFAOYSA-N,,,,CCCCNC(=O)C(C)CC(O)C(Cc1ccccc1)NC(=O)C1CCCC(C2(NC(C)=O)CCCC2)C1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][#Branch1][N][=C][Branch2][Ring1][=Branch2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=Ring1][#Branch1][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C=CN=3)c2cc1)(C)C,0,RRINRPYMMVSLGD-UHFFFAOYSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2nccc(=O)[nH]2)=N1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][NH1][C][=C][Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][Branch2][Ring1][Branch1][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][#C],S1(=O)(=O)CC(Cc2cc3c([nH]cc3)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1,0,GZRMXDBZPVHCTP-UHFFFAOYSA-O,,,,CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc4[nH]ccc4c3)C2O)c1,
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],FC(F)(F)Oc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,LHGYIKYEZVLFIW-UHFFFAOYSA-N,,,CHEMBL2177328,,366353.0
+[Br][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][O],Brc1cc(ccc1OC)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O,0,KEZSNNBWOXENPX-UHFFFAOYSA-O,,,,COc1ccc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)cc1Br,
+[Cl][C][=C][C][C][C][Branch2][Ring1][P][N][=C][Branch2][Ring1][Ring1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)C(=O)[O-])c2cc1)(C)C,0,MRUPOSGQIWSVEY-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)C(=O)[O-])=N1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][P][=N][C@][Ring1][=Branch1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Ring1][N][N],O=C1N(C)C(=N[C@]1(C1CCCCC1)c1cc(NC(=O)CCC)ccc1)N,0,AQMDTMDYMXRAFN-HXUWFJFHSA-N,,,CHEMBL595302,CCCC(=O)Nc1cccc(C2(C3CCCCC3)N=C(N)N(C)C2=O)c1,206952.0
+[O][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][O][Branch1][C][C][C],O1c2c(cc(cc2)-c2cc(OC(C)C)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,GCAUJEMXKJNLPV-UHFFFAOYSA-N,,,CHEMBL2349492,,382591.0
+[Cl][C][=C][C][C][C][Branch2][Ring1][#C][N][=C][Branch2][Ring1][C][N][C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccsc3)C(=O)[O-])c2cc1)(C)C,0,OXBIDUINFHVPAR-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccsc2)C(=O)[O-])=N1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Ring2][=N][C][Branch1][Ring2][C][Ring1][#Branch1][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][\C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)\C=C\c1ccccc1)N,0,SDJNMEWNBCYQPV-VAWYXSNFSA-N,,,,CN1C(=O)CC(C)(C2CC2c2cccc(C=Cc3ccccc3)c2)N=C1N,
+[O][=C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][Branch2][N][C][Ring2][Ring1][Branch1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][C][C][C][=N],O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CCC1CCCCC1)CC(C)C)=N,0,CNTBNKNPMIFGMN-UHFFFAOYSA-N,,,CHEMBL571728,,202892.0
+[O][=C][Branch1][Branch1][N][C][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NCCC)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0,XQBNJCIXEUWCLY-UHFFFAOYSA-N,11697219.0,"cid is 11697219,compound_name is 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-propylbenzamide,cid_paras is 11697219,Molecular_Weight is 410.5,XLogP3 is 4.4,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 7,Exact_Mass is 410.21066147,Monoisotopic_Mass is 410.21066147,Topological_Polar_Surface_Area is 72.9,""Unit"":""Ų"",Heavy_Atom_Count is 31,Formal_Charge is 0,Complexity is 556,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1090146,,217966.0
+[O][=C][Branch1][=Branch1][N][C][C][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NCCCC)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0,JVCBUYGOEGKVHN-UHFFFAOYSA-N,11589920.0,"cid is 11589920,compound_name is 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-butylbenzamide,cid_paras is 11589920,Molecular_Weight is 424.5,XLogP3 is 4.7,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 8,Exact_Mass is 424.22631153,Monoisotopic_Mass is 424.22631153,Topological_Polar_Surface_Area is 72.9,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 570,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1090147,,217967.0
+[S][C][=C][Branch1][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][F],s1cc(cc1C(=O)CC)[C@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F,0,SYHWIMVHWVXBDN-JOCHJYFZSA-N,,,CHEMBL1824362,,334070.0
+[O][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],O1CCC(CC1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(OC)ccc1,0,INFFTYDAVRHZHS-UHFFFAOYSA-N,,,CHEMBL2180035,,367702.0
+[S][C][=C][Branch1][=C][N][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring2][Ring1][Branch1],s1cc(nc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1,0,OVWZHAXEKGLFGE-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2csc(CC(C)(C)C)n2)CC1,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1,0,VJOYOUKJSHACSN-UHFFFAOYSA-N,,,CHEMBL577905,,206122.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][Ring2][N][C][=C][Branch1][O][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][C][C],S(=O)(=O)(n1cc(c2c1cccc2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)CCCC,0,RKEIXFHEKKYCFG-UHFFFAOYSA-O,,,,CCCCS(=O)(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][C][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring1][C][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][N][C][Ring2][Ring1][Ring2][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C,0,NXLITCKBWIAXEQ-UHFFFAOYSA-N,,,,COc1ccc(C2NC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)NC(C(O)CC(C(=O)NCC(C)C)C(C)C)COCc3cccc2c3)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][S][C][Branch2][Ring1][#C][C][C][Branch2][Ring1][=Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1cccnc1)c1cc(F)ccc1,0,WMNYPMGMKRSEED-UHFFFAOYSA-O,,,,CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(c2cccnc2)S(=O)(=O)N3c2cccc(F)c2)c1,
+[O][C][C][Branch1][=Branch2][N][=C][Branch1][C][N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1,0,UJJUBYHHIWOWQJ-UHFFFAOYSA-N,,,CHEMBL2380447,,384794.0
+[O][Branch1][C][C][C][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1,0,XBWQSEBJKSPBBV-UHFFFAOYSA-N,,,CHEMBL2380459,,384806.0
+[Cl][C][=C][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1][=C][Branch1][C][F][C][=C][Ring2][Ring1][N][C],Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)C34N=C(OC4)N)cc2)c(F)cc1C,0,KKLOGTHCFUTDNH-UHFFFAOYSA-N,,,CHEMBL2177334,,366359.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][O][O][C][Ring1][Branch1][C][O][C][C][Ring1][=Branch2][N],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N,0,ZHPGLGVJJCRIPT-UHFFFAOYSA-N,,,,NC1=NC2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)CCOCC2O1,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C],O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0,GIWQVXJEJNHEEC-UHFFFAOYSA-N,123392765.0,"cid is 123392765,compound_name is 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]cyclopropyl]-3,6-dimethyl-5H-pyrimidin-4-one,cid_paras is 123392765,Molecular_Weight is 363.5,XLogP3 is 2.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 4,Exact_Mass is 363.19467705,Monoisotopic_Mass is 363.19467705,Topological_Polar_Surface_Area is 67.9,""Unit"":""Ų"",Heavy_Atom_Count is 27,Formal_Charge is 0,Complexity is 606,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 3,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,COc1cccc(-c2cccc(C3CC3C3(C)CC(=O)N(C)C(N)=N3)c2)c1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][=Branch1][N][=C][Branch2][Ring1][Branch2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][N][=Ring1][=Branch1][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)NN=3)c2cc1)(C)C,0,VFPDPDSUNOZPME-UHFFFAOYSA-N,,,CHEMBL2346797,,381452.0
+[Br][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][N][=C][Branch1][P][N][C][Ring1][Branch1][=N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],Brc1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccc(OC)cc1,0,LVXQBMQMTVLGNH-UHFFFAOYSA-N,,,CHEMBL1957479,,345630.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][#Branch1][=N][C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N,0,RNWLAFWLSSMCLN-UHFFFAOYSA-N,15054176.0,"cid is 15054176,compound_name is (2e)-2-Imino-3-Methyl-5,5-Diphenylimidazolidin-4-One,cid_paras is 15054176,Molecular_Weight is 265.31,XLogP3 is 2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 2,Rotatable_Bond_Count is 2,Exact_Mass is 265.121512110,Monoisotopic_Mass is 265.121512110,Topological_Polar_Surface_Area is 58.7,""Unit"":""Ų"",Heavy_Atom_Count is 20,Formal_Charge is 0,Complexity is 388,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL291784,,27284.0
+[O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NC1CCC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1,0,AQRMTQRMYHBJHU-UHFFFAOYSA-N,11596983.0,"cid is 11596983,compound_name is 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-cyclobutylbenzamide,cid_paras is 11596983,Molecular_Weight is 422.5,XLogP3 is 4.4,Hydrogen_Bond_Donor_Count is 2,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 6,Exact_Mass is 422.21066147,Monoisotopic_Mass is 422.21066147,Topological_Polar_Surface_Area is 72.9,""Unit"":""Ų"",Heavy_Atom_Count is 32,Formal_Charge is 0,Complexity is 609,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1093121,,218017.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1,0,BNTCTQFWBJMVDZ-UHFFFAOYSA-N,,,CHEMBL576628,,206109.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=Branch1][N][Branch2][Branch1][#Branch2][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][=Branch1][C][=C][Ring2][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c(cc1)C)c1ccccc1)C,0,OWKVOSMRWHCUBA-UHFFFAOYSA-O,,,,Cc1ccc(N(c2ccccc2)S(C)(=O)=O)cc1C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cccc(C(F)(F)F)c1,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C],O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C,0,BEYGOLPVUQKUTI-UHFFFAOYSA-N,,,CHEMBL2180018,,367685.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch2][Branch1][N][Branch1][C][C][C][=C][C][=Branch2][=Branch1][#Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch2][C][Branch1][C][O][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccc(F)cc1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,PDGSBHJMRKZCMC-UHFFFAOYSA-N,,,,CC(CC(O)C(COCc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NC(C(=O)NCc1ccc(F)cc1)C(C)C,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][S][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C],S(=O)(=O)(N(c1ccccc1)c1nc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C,0,IMFTYUOCOMNNFG-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccccc1)c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)n1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=C][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][#C][C][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][N][C][Ring2][Ring1][Ring2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C,0,NUOROLSRIMMSEX-UHFFFAOYSA-N,,,,CC(C)CNC(=O)C(CC(O)C1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][\C][=C][\C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C],FC(F)(F)c1ccc(cc1)\C=C\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0,XYHYWMDSXZCEJI-OHTHYCLXSA-N,,,CHEMBL1099021,,220232.0
+[O][Branch1][C][C][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C],O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0,GGHVXVYDMPZKPU-FBZFJNBBSA-N,,,CHEMBL1099023,,220234.0
+[F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],Fc1ccc(F)cc1-c1cc(ccc1)[C@@]1(N=C(N)N(C)C1=O)c1ccncc1,0,RKYFABJLGJZOBA-NRFANRHFSA-N,11990754.0,"cid is 11990754,compound_name is 2-Amino-5-(2',5'-difluoro-1,1'-biphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one,cid_paras is 11990754,Molecular_Weight is 378.4,XLogP3 is 2.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 5,Rotatable_Bond_Count is 3,Exact_Mass is 378.12921747,Monoisotopic_Mass is 378.12921747,Topological_Polar_Surface_Area is 71.6,""Unit"":""Ų"",Heavy_Atom_Count is 28,Formal_Charge is 0,Complexity is 624,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1093066,,216943.0
+[O][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1],O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccncc1,0,OLJFMUPYPYNPMT-UHFFFAOYSA-N,,,CHEMBL2177338,,366363.0
+[S][Branch2][Branch1][=Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Branch1][C][C][C][C],S(CCC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C,0,IUSGWDAMBBJURY-UHFFFAOYSA-N,,,,CCCCNC(=O)C(C)CC(O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(C)NC(C)=O,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][O][C][C][O][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCOC1,0,NGSPCALCYZCXEJ-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3COCCO3)c2)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][NH2+1][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],S(=O)(=O)(C)c1ccc(cc1)-c1ccccc1C1C[NH2+]CC1C(=O)N1CCOCC1c1ccccc1,0,BNJLRVQSIIJBQY-UHFFFAOYSA-O,,,,CS(=O)(=O)c1ccc(-c2ccccc2C2C[NH2+]CC2C(=O)N2CCOCC2c2ccccc2)cc1,
+[O][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][NH2+1][C][C][Ring1][Branch1][C][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1],O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC12CCCc1c2cccc1,0,FZLFVGHMYNWCLJ-UHFFFAOYSA-O,,,,O=C(C1C[NH2+]CC12CCCc1ccccc12)N1CCC(c2ccccc2)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][S][C][Branch2][Ring1][#C][C][C][Branch2][Ring1][=Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ccncc1)c1cc(F)ccc1,0,JBBICBSNEXRPNM-UHFFFAOYSA-O,,,,CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(c2ccncc2)S(=O)(=O)N3c2cccc(F)c2)c1,
+[F][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][N][=C][Branch1][C][N][C][N][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C],Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)C2N1CCCC2)C,0,LXQPUHUACOXCSI-UHFFFAOYSA-N,,,,CC1(c2cccc(-c3cncc(F)c3)c2)N=C(N)C2CCCCN21,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][C][C][Ring1][Branch1][N][=C][Branch1][Branch1][S][C][Ring1][Branch1][N][C][=C][Ring1][=C],Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(SC3)N)cc1,0,BXBCTBZVFUCZMK-UHFFFAOYSA-N,,,CHEMBL2403764,,389358.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Ring2][=N][C][Branch1][Ring2][C][Ring1][#Branch1][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)CCc1ccccc1)N,0,XPURNBKUEOGBLN-UHFFFAOYSA-N,,,,CN1C(=O)CC(C)(C2CC2c2cccc(CCc3ccccc3)c2)N=C1N,
+[S][C][=Branch1][O][=C][C][=C][Ring1][Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],s1c(ccc1C(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0,VAKVQVZZOBILEV-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ccc(C(C)C)s2)CCCCC1,
+[O][C][Branch2][Ring2][#Branch2][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][C][C][Ring1][=Branch1][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C,0,JKZUWZCUDKMAKA-UHFFFAOYSA-O,,,,CC(=O)NC(C)(C)C1CCCC(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(C)C)c2)C1,
+[Br][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][P][NH2+1][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][C][O],Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(Cl)cc(Cl)c2)C1O,0,DPPDCMCLHYHXQI-UHFFFAOYSA-O,,,,O=S1(=O)CC(Cc2ccc(O)c(Br)c2)C(O)C([NH2+]Cc2cc(Cl)cc(Cl)c2)C1,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],O(C)c1cc(ccc1)-c1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1,0,VPYGLYRRXAUOPL-UHFFFAOYSA-N,11652923.0,"cid is 11652923,compound_name is 2-Amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one,cid_paras is 11652923,Molecular_Weight is 335.4,XLogP3 is 2.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 5,Exact_Mass is 335.16337692,Monoisotopic_Mass is 335.16337692,Topological_Polar_Surface_Area is 67.9,""Unit"":""Ų"",Heavy_Atom_Count is 25,Formal_Charge is 0,Complexity is 543,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL235754,,150058.0
+[Cl][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C],Clc1cc(Cl)ccc1C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0,PLXGPPVMTPLQQX-QVKLTZRHSA-N,,,CHEMBL1099025,,220235.0
+[Br][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][C][NH2+1][C][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][O],Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O,0,HWUXURZHDGRFJV-UHFFFAOYSA-O,,,,CC(C)c1ccnc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(O)c(Br)c3)C2O)c1,
+[S][C][=C][Branch2][Ring2][#C][C][=C][Ring1][Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2][C][#C],s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C#C,0,MLGCDGANBFYDKA-UHFFFAOYSA-O,,,,C#Cc1csc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][O][N][=C][Branch1][Ring2][C][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1onc(c1)C(C)(C)C,0,PQUNMNGRCLHJOJ-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(C(C)(C)C)no2)CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][P][N][Branch2][Branch1][Branch1][C][=C][C][=Branch1][=Branch1][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(c1cc(ncc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C,0,MVUNQJACBOAQKE-UHFFFAOYSA-O,,,,CS(=O)(=O)N(c1ccccc1)c1ccnc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1,
+[O][=C][Branch2][Ring2][P][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch2],O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1c2c(ccc1)cccc2,0,VGVWFSMQDLHFAR-MOBIUZRASA-N,,,CHEMBL1086716,,220219.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][NH2+1][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC[NH2+]CC1)c1cc(ccc1)C(C)(C)C,0,PVEXNAJZUOXCQE-UHFFFAOYSA-P,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CC[NH2+]CC1,
+[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],Clc1ccccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,CPTSXKPUIKUWDU-UHFFFAOYSA-N,,,CHEMBL2177324,,366349.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][C][=Branch1][Branch1][=C][N][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C,0,KDSLZYKVISFOTP-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ncc(C(C)(C)C)o2)CC1,
+[O][C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][\C][=C][\C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\C=C\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C,0,BEGCWPHKTGGGNN-PKOQXMOUSA-O,,,,Cc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]Cc1cccc(C(C)C)c1)COCC=CCC(c1ccccc1)NC2=O,
+[O][=C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][C][N][C][Ring2][Ring1][Branch1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=N],O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)C)=N,0,WDGLTZMAIOYGIK-UHFFFAOYSA-N,,,CHEMBL568968,,202907.0
+[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1],FC(F)(F)Oc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1,0,BTRULLDBMGKWLY-UHFFFAOYSA-N,,,CHEMBL2177327,,366352.0
+[N][=C][Branch1][Branch2][C][=C][C][=C][Ring1][=Branch1][N][C][N][C][=Branch1][=C][=C][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],n1c(cccc1N)Cn1c(ccc1-c1ccccc1)-c1ccccc1,0,YHVWXXWLRGWNEE-UHFFFAOYSA-N,11573395.0,"cid is 11573395,compound_name is 6-((2,5-diphenyl-1H-pyrrol-1-yl)methyl)pyridin-2-amine,cid_paras is 11573395,Molecular_Weight is 325.4,XLogP3 is 4.2,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 2,Rotatable_Bond_Count is 4,Exact_Mass is 325.157897619,Monoisotopic_Mass is 325.157897619,Topological_Polar_Surface_Area is 43.8,""Unit"":""Ų"",Heavy_Atom_Count is 25,Formal_Charge is 0,Complexity is 374,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1092879,,217903.0
+[O][=C][Branch1][=N][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C],O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C,0,GIIJYEDQRPSYMU-UHFFFAOYSA-N,,,CHEMBL1821810,,333148.0
+[O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2][C][C][C][Ring1][Ring2],O1c2ncccc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2,0,KXWWMQRXUZFAKE-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC2(CCC2)Oc2ncccc21,
+[NH1+1][C@@][Branch1][#C][C][N][Branch1][#Branch1][C][C][C][N][=Ring1][=Branch1][C][=Ring1][=Branch2][N][Branch2][Ring1][Ring2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],[NH+]=1[C@@](C=2N(CCCN=2)C=1N)(c1cc(ccc1)Cc1ccccc1)c1ccccc1,0,ZIPALACJMVBMLD-RUZDIDTESA-O,,,,NC1=[NH+]C(c2ccccc2)(c2cccc(Cc3ccccc3)c2)C2=NCCCN21,
+[O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C],O=C1N(CCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C,0,NUXXROATVMQIKI-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)NC1CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][C][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][C][Branch1][=Branch1][N][C][Ring1][P][=O][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C,0,TWVSSHHGCDLMHU-UHFFFAOYSA-O,,,,CN(c1cc2cc(c1)C(=O)NC(C(O)C[NH2+]Cc1ccccc1)COCCCCCNC2=O)S(C)(=O)=O,
+[O][=C][Branch1][C][O-1][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][#C][C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C([O-])C(NC1=NC(Cc2c1ccc(c2)C)(C)C)Cc1ccccc1,0,UAEIHBHKPCSSIM-UHFFFAOYSA-M,,,,Cc1ccc2c(c1)CC(C)(C)N=C2NC(Cc1ccccc1)C(=O)[O-],
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][Ring2][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1,0,AAEYBQRVLJBANX-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][N][=C][Branch1][Branch1][NH1][C][=Ring1][Branch1][N],O(C)c1ccc([N+](=O)[O-])cc1CC(c1ccc(OC)cc1)c1nc([nH]c1)N,0,SUQKMDURKUPPHL-UHFFFAOYSA-N,,,CHEMBL494015,,179188.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][N][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)CNC(=O)C([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C,0,HTZKPKLJYLELSH-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(CNC(=O)C(C)([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[F][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][Branch1][=C][C][C][Ring1][=Branch1][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][Branch1][C][C][C][C][=C][Ring1][P],Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1,0,GVUGSHHDPCGBJP-UHFFFAOYSA-N,,,CHEMBL2349464,,382563.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][Branch2][C][Branch2][Ring1][=C][C][C][Branch2][Ring1][Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=Branch1][NH1][C][=C][Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][N][Ring2][Ring1][#Branch1][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc3c([nH]cc3)cc2)C)CN1C)c1cc(F)ccc1,0,DIZVQZJZOKIMBX-UHFFFAOYSA-O,,,,CC1CC2(CC[NH+]1Cc1ccc3[nH]ccc3c1)CN(C)S(=O)(=O)N2c1cccc(F)c1,
+[S][C][=C][C][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C],s1cccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0,IHSDXBAZGXWOBJ-UHFFFAOYSA-N,,,,CN1C(=O)CC(C)(C2CC2c2cccc(-c3cccs3)c2)N=C1N,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C#N,0,NQOYMRYZCDDPDD-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C#N)c2)CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring1][O][C][C][=C][C][Branch1][=N][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Ring1][#C][C][Branch1][C][O][C][Branch2][Ring1][C][NH2+1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring2][Ring2],S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1,0,JNGIVUBSKHWMOF-UHFFFAOYSA-O,,,,Cc1cccc(Cc2cc(CC3CS(=O)(=O)CC([NH2+]Cc4cccc(C(C)C)c4)C3O)ccc2O)c1,
+[O][C][=C][Branch1][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C],O1c2c(cc(cc2)-c2ccncc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,XFVFKAMOKMDRPU-UHFFFAOYSA-N,,,CHEMBL2349503,,382602.0
+[O][C][Branch2][Ring2][=Branch1][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C],OC(C(NC(=O)c1cc(Nc2ccccc2)ccc1)Cc1ccccc1)C[NH2+]C(C(=O)NC1CCCCC1)C,0,IQTBSLHTGJXWLW-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)NC1CCCCC1,
+[Cl][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C],Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C,0,DAWFJSNCVYTRMO-UHFFFAOYSA-N,,,CHEMBL2380444,,384791.0
+[S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][=Branch2][C][Branch2][Ring1][#C][C][C][Branch2][Ring1][=Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][Branch2][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1],S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(NC(=O)C)cc2)C)CN1C)c1cc(F)ccc1,0,LLNXXQVRQUGWJV-UHFFFAOYSA-O,,,,CC(=O)Nc1ccc(C[NH+]2CCC3(CC2C)CN(C)S(=O)(=O)N3c2cccc(F)c2)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][S][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,OLLGJYHYFZZUCB-UHFFFAOYSA-N,,,,COC(COc1ccccc1)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1,
+[O][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1ccccc1C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1,0,IIZAIOFZSHQZDG-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2ccccc2OC)c2cccnc21,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][N][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(=C1)CCc1cc(ccc1)-c1ccccc1)N,0,OJPMWSXHQIEAMR-UHFFFAOYSA-N,11623676.0,"cid is 11623676,compound_name is 2-amino-6-(2-(biphenyl-3-yl)ethyl)-3-methylpyrimidin-4(3H)-one,cid_paras is 11623676,Molecular_Weight is 305.4,XLogP3 is 2.7,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 2,Rotatable_Bond_Count is 4,Exact_Mass is 305.152812238,Monoisotopic_Mass is 305.152812238,Topological_Polar_Surface_Area is 58.7,""Unit"":""Ų"",Heavy_Atom_Count is 23,Formal_Charge is 0,Complexity is 491,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL393501,,150055.0
+[Br][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],Brc1ccc(cc1C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0,PTURBKWZTAUMDP-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ccc(Br)c(C(C)(C)C)c2)CCCCC1,
+[O][=C][Branch2][Ring2][P][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccccc1,0,OGTQHYNUUOXINS-IKPAXAHWSA-N,,,CHEMBL1087609,,220198.0
+[O][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C],O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccccc1C,0,OLAQBZBKMOPUOH-UHFFFAOYSA-N,,,CHEMBL2177321,,366346.0
+[O][=C][N][Branch2][Ring2][Branch2][C][C][=Branch2][Ring2][C][=N][C][Ring1][=Branch1][Branch1][C][C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][S][N][C],O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(nc2)C)ccc1)N)C,0,KCOOVJJAMOPFEY-UHFFFAOYSA-N,,,CHEMBL1923296,,339930.0
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1ccc(cc1)Cc1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1,0,ORUROHUFAQTTIX-AREMUKBSSA-O,,,,COc1ccc(Cc2cccc(C3(c4ccccc4)[NH+]=C(N)N4CCCN=C43)c2)cc1,
+[O][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C],O1c2c(cc(cc2)-c2ccc(OC)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,BMASJJOJXPLURJ-UHFFFAOYSA-N,,,CHEMBL2349616,,382673.0
+[Cl][C][=C][C][C][C][Branch2][Ring2][#C][N][=C][Branch2][Ring1][P][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring2][N][=Ring1][#Branch1][C][=C][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)cccc4)c2cc1)(C)C,0,PAZUNXAAGDUPAQ-UHFFFAOYSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2nc3ccccc3c(=O)[nH]2)=N1,
+[O][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],O1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1,0,PKJHAIURSFBSII-UHFFFAOYSA-N,,,CHEMBL2177312,,366336.0
+[O][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C],O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0,XGLCKKWQVMMTIG-UHFFFAOYSA-N,,,,COc1ccccc1-c1cccc(C2CC2C2(C)CC(=O)N(C)C(N)=N2)c1,
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C],s1cc(cc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0,YFPVDEOVIKRDSD-UHFFFAOYSA-N,,,,CN1C(=O)CC(C)(C2CC2c2cccc(-c3ccsc3)c2)N=C1N,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][Branch2][N][N][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(-n2nccn2)ccc1,0,OWCGQYLBTBEMDE-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-n3nccn3)c2)CCCCC1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][C][=N][C][Ring1][=Branch1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Ring1][=N][N],O=C1N(C)C(=NC1(C1CCCCC1)c1cc(NC(=O)CCOC)ccc1)N,0,JKKLMAOQHPBFAO-UHFFFAOYSA-N,,,CHEMBL594656,,206999.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][Ring2][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1,0,FSQREXFFFRKDCI-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1,
+[S][C][C][=Branch2][Ring1][=C][=N][C][Ring1][Branch1][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N],S1CC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N,0,HQOFZPLMGHLAJL-UHFFFAOYSA-N,,,CHEMBL2380454,,384801.0
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][=C][Branch1][C][N][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],O(C)c1ccc(cc1)C1(N=C(N)CC1)c1cc(ccc1)-c1cncnc1,0,MLDNPVIFXVSEGX-UHFFFAOYSA-N,,,CHEMBL2380458,,384805.0
+[O][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C],O1c2cc(ccc2OC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0,IQPYOACTPZONCR-NDEVUPSOSA-N,,,CHEMBL1088138,,220220.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Ring1][N][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][Ring2][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][#Branch1][C][C],S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C,0,AMLMIHYWWUTQAK-YTCPBCGMSA-O,,,,CCCC1C(C(=O)NOCc2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1,
+[F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],Fc1ccc(cc1)Cc1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1,0,HNKINZGWDMPNGM-UHFFFAOYSA-O,,,,NC1=[NH+]C(c2ccccc2)(c2cccc(Cc3ccc(F)cc3)c2)C2=NCCCN21,
+[F][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],Fc1ccncc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC)cc1,0,MCCCDNNCWXEOOM-UHFFFAOYSA-N,,,,COc1ccc(C2(c3cccc(-c4cnccc4F)c3)COC(N)=N2)cc1,
+[O][Branch1][Ring2][C][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C],O(CCC)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0,YLMCNCOJWRFDFU-UHFFFAOYSA-N,,,,CCCOc1cccc(-c2cccc(C3CC3C3(C)CC(=O)N(C)C(N)=N3)c2)c1,
+[O][C][=C][Branch1][P][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C],O1c2c(cc(N3CCCCC3)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C,0,PBWVAQPISDVCQW-UHFFFAOYSA-N,,,CHEMBL2349500,,382599.0
+[Cl][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=NH2+1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2],Clc1cc(cc(Cl)c1)CNC(=[NH2+])NC(=O)Cn1c2c(cccc2)cc1,0,AASYOBSHZCOEIH-UHFFFAOYSA-O,,,,[NH2+]=C(NCc1cc(Cl)cc(Cl)c1)NC(=O)Cn1ccc2ccccc21,
+[S][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][Branch1][C][C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C],S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1,0,JFCOBIVMEHQRGN-UHFFFAOYSA-N,,,CHEMBL2403760,,389354.0
+[O][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Branch1][C],O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C,0,AKIOKNCWTMXBTE-GOQOSDJISA-O,,,,CC1=C(C(=O)NOCc2ccccc2)C(C)C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)=C(C)N1CC(=O)OC(C)C,
+[S][Branch1][Ring1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,CPVOTNHEDGYJNP-UHFFFAOYSA-N,,,,CCSc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][C][=N][C][Branch1][Ring2][C][Ring1][#Branch1][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1ccccc1)N,0,ZBSJVCIGPPYVNO-UHFFFAOYSA-N,,,,CN1C(=O)CC(C)(C2CC2c2cccc(-c3ccccc3)c2)N=C1N,
+[S][C][=C][Branch2][Ring2][N][N][=C][Ring1][Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring2][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C],s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C,0,IVEXILNYIOKCOY-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2nc(CC(C)(C)C)cs2)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][C][N][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][Ring1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][=Branch1][C][C],S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](CC)C(C(=O)NOCc2ccccc2)=C1C)C,0,DWZMIAYLKQUVFW-OZNIXHKMSA-O,,,,CCC1C(C(=O)NOCc2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#C][N][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Branch2][Ring1][=Branch1][NH1+1][Branch1][Branch1][C][C][Ring1][=C][C][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=C][Ring1][=Branch2][C],S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC)ccc1)C,0,OXUOUFYCNLPKRL-UHFFFAOYSA-O,,,,CCOc1cccc(C[NH+]2CCC3(CNS(=O)(=O)N3c3cccc(F)c3)CC2C)c1,
+[Br][C][S][C][=C][C][=Ring1][Branch1][C][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][#C][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Branch1][C][C][C][C][=Branch1][C][=O][O-1],Brc1sccc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-],0,XAIGXXBVAAGPCS-UHFFFAOYSA-M,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccsc2Br)C(=O)[O-])=N1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][NH2+1][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C,0,ACQZNRIKGPGXLO-UHFFFAOYSA-P,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC[NH2+]C1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][=N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CCO)c1cc(ccc1)C(C)(C)C,0,DKZWNBKNKVMUBG-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(CCO)CC1,
+[F][C][Branch1][C][F][Branch1][C][F][C][Branch2][Branch1][Ring1][NH2+1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][=C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][C][O][C][=C][C][Branch1][Branch1][C][Ring2][Ring1][Ring1][=C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],FC(F)(F)C([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C,0,VNZSVUSLCTXQLM-UHFFFAOYSA-O,,,,COCc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]C(c1cccc(C(C)(C)C)c1)C(F)(F)F)Cc1cccc(c1)OCCCCN2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][#Branch1][N][Branch1][C][C][C][=C][C][=Branch2][Ring2][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,OPFCROFPAHPCQD-UHFFFAOYSA-N,,,,COC(CO)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring2][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=C][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,FMJKXKPPBJGTCN-UHFFFAOYSA-N,,,,COCC(CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)OC,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][Ring2][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(F)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,XPGUOOQPFQKDMK-UHFFFAOYSA-N,,,,COC(COCc1ccc(F)cc1)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][#Branch1][Branch1][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][#Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch2][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][O][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1cc(OC)ccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,HYKUKLNYJJRBBA-UHFFFAOYSA-N,,,,COc1cccc(COCC(CC(O)C(COc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)NC(C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)OC)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][P][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][NH2+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C[NH2+]Cc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,RVLBBCQVPOSNBV-UHFFFAOYSA-O,,,,COC(C[NH2+]Cc1ccccc1)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][S][N][Branch1][C][C][C][=C][C][=Branch2][Branch1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC1CC1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C,0,RXOLOZUDTSFNAU-UHFFFAOYSA-N,,,,CC(CC(O)C(COCc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NC1CC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCCC1,0,XEJNDOMRQVBSQN-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCCCC3)c2)CCCCC1,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1ccccc1,0,UMUHOBWIAFTTAO-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ccccc2)CCCCC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=Branch2][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][#C][C][O][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][N][C][Ring2][Ring1][Ring2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C,0,BXMWIRLJJNVREQ-UHFFFAOYSA-N,,,,CNC(=O)C(CC(O)C1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][N][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][O][C][C][O][C][C][=C][C][Branch2][Ring2][Branch1][C][O][C][C][Branch1][#Branch1][N][C][Ring2][Ring1][=Branch1][=O][C][Branch1][C][O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][O][C],S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(OCCOC)c1cc(COCC(NC2=O)C(O)CC(C(C)C)C(=O)NCC(C)C)ccc1)C,0,PVPCBXKRPVESEX-UHFFFAOYSA-N,,,,COCCOC1NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)NC(C(O)CC(C(=O)NCC(C)C)C(C)C)COCc2cccc1c2,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][#Branch2][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Branch1][=Branch1][O][C][C][O][C][C][=C][C][Branch2][Ring2][Branch1][C][O][C][C][Branch1][#Branch1][N][C][Ring2][Ring1][=Branch1][=O][C][Branch1][C][O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][O][C],S(=O)(=O)(N(C)c1cc2cc(c1)CCCC(OCCOC)c1cc(COCC(NC2=O)C(O)CC(C(C)C)C(=O)NCC(C)C)ccc1)C,0,KSBWLAGPKYTNIN-UHFFFAOYSA-N,,,,COCCOC1CCCc2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)NC(C(O)CC(C(=O)NCC(C)C)C(C)C)COCc2cccc1c2,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch1][C][NH3+1][C][Ring2][Ring1][=N],S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1,0,RPVMIXUYCQNVRD-UHFFFAOYSA-O,,,,Nc1c(F)cc(CC2CS(=O)(=O)CC([NH3+])C2O)cc1OC(C(F)(F)F)C(F)(F)F,
+[S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch1][P][NH2+1][C][C][C][C][Ring1][Ring1][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][=Branch1],S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CC2CC2OC(C)(C)C)C1,0,RNURIPCMDOBQGW-UHFFFAOYSA-O,,,,CC(C)(C)OC1CC1C[NH2+]C1CS(=O)(=O)CC(Cc2cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c2)C1O,
+[O][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][\C][=C][\C][Ring2][Ring1][Ring2][C][C][Branch1][C][O][C][NH2+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\C=C\C1)C)C(O)C[NH2+]Cc1ccccc1,0,PEFONUZATYCZEN-XVNBXDOJSA-O,,,,Cc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]Cc1ccccc1)COCC=CCCNC2=O,
+[O][C][C][C][=Branch2][Ring1][=C][=N][C][Ring1][=Branch1][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N],O1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N,0,KQMBMKYLPGWKDZ-UHFFFAOYSA-N,,,CHEMBL2380443,,384790.0
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch1][=C][NH2+1][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CCCOC(C)(C)C)C1,0,UOZTXBTUHKICSN-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH2+]CCCOC(C)(C)C)C2O)cc(F)c1N)C(F)(F)F,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C[NH2+]CC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0,MFFYKCUQFUTDCE-UHFFFAOYSA-P,,,,CC(NC(=O)c1cc(C[NH2+]CC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][Branch1][C][NH3+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])Cc1ccccc1)C(=O)NC(C)c1ccc(F)cc1)C,0,QGPQPROZQHDVAL-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(COCC([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[O][Branch1][Ring1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],O(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,JGZJRGKLOZBSON-UHFFFAOYSA-N,,,,CCOc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[O][C][C@@][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1],O1C[C@@]2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cncnc1,0,QZGOMZOGZCMFCJ-HXUWFJFHSA-N,,,CHEMBL2177341,,366366.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][C][C][Ring1][Branch1][N][=C][Branch1][Branch1][O][C][Ring1][Branch1][N][C][=C][Ring1][=C],Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(OC3)N)cc1,0,SPCACAONOMDGOG-UHFFFAOYSA-N,,,CHEMBL2403763,,389357.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=N][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0,HVFSQSLQHUCYDO-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(C(=O)NCC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Branch1][N][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][#Branch1][C][C],S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C(C)C)C(C(=O)NOCc2ccccc2)=C1C)C,0,ZVIDZRYPRXMIFU-ZGIBFIJWSA-O,,,,CC1=C(C(=O)NOCc2ccccc2)C(C(C)C)C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)=C(C)N1S(C)(=O)=O,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#C][N][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Branch2][Ring1][O][NH1+1][Branch1][Branch1][C][C][Ring1][=C][C][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][N][C],S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC2CCCC2)ccc1)C,0,FHKOQJIBPGTNPG-UHFFFAOYSA-O,,,,CC1CC2(CC[NH+]1Cc1cccc(OC3CCCC3)c1)CNS(=O)(=O)N2c1cccc(F)c1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Ring2][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][N],O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CCC)N,0,KEUNMVAAEVXRAF-UHFFFAOYSA-N,,,,CCCc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#C][N][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Branch2][Ring1][#Branch2][NH1+1][Branch1][Branch1][C][C][Ring1][=C][C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][C][=C][Ring1][O][C],S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC(C)C)ccc1)C,0,GXSVXHVEJOLLKJ-UHFFFAOYSA-O,,,,CC(C)COc1cccc(C[NH+]2CCC3(CNS(=O)(=O)N3c3cccc(F)c3)CC2C)c1,
+[O][C][C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1,0,KUSOYGILTFFDRU-UHFFFAOYSA-N,,,CHEMBL2177313,,366337.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][C][=N][C][Branch1][Ring2][C][Ring1][#Branch1][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cccnc1)N,0,IFIOZFBJWKSORP-UHFFFAOYSA-N,123550154.0,"cid is 123550154,compound_name is 2-amino-3,6-dimethyl-6-[2-(3-pyridin-3-ylphenyl)cyclopropyl]-5H-pyrimidin-4-one,cid_paras is 123550154,Molecular_Weight is 334.4,XLogP3 is 1.5,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 3,Exact_Mass is 334.17936134,Monoisotopic_Mass is 334.17936134,Topological_Polar_Surface_Area is 71.6,""Unit"":""Ų"",Heavy_Atom_Count is 25,Formal_Charge is 0,Complexity is 562,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 3,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",,CN1C(=O)CC(C)(C2CC2c2cccc(-c3cccnc3)c2)N=C1N,
+[O][Branch1][C][C][C][=N][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],O(C)c1nc(cnc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,UREVBXPANLJZQJ-UHFFFAOYSA-N,,,,COc1cncc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)n1,
+[S][Branch2][Branch1][Ring2][O][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(Oc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)(=O)(=O)Cc1ccccc1,0,NWJNHJWSZAHOBB-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(OS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1,
+[N][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C],n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C,0,GGFQOAKBKNUHNP-UHFFFAOYSA-N,,,CHEMBL2180019,,367686.0
+[Cl][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][O][O][C][Ring1][Branch1][C][O][C][C][Ring1][=Branch2][N],Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1COCC2)N,0,WYLIFUWUAVAEQH-UHFFFAOYSA-N,,,,NC1=NC2(c3cccc(-c4cc(F)cc(Cl)c4)c3)CCOCC2O1,
+[O][Branch1][Ring2][C][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],O(CCC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,JFQVXRRRYVYKSU-UHFFFAOYSA-N,,,,CCCOc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[S][C][=C][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],s1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,FVNUEGWIOHYACJ-UHFFFAOYSA-N,,,,Cn1c(N)nc(C2CC2c2ccc(-c3cccs3)cc2)cc1=O,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],O(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,LUXRTFYGLHAVBS-UHFFFAOYSA-N,,,,COc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][P][N][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Branch1][C][C],S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C)C,0,CNJOYBDRTQWXKI-JAMKYWPSSA-O,,,,CC1=C(C(=O)NOCc2ccccc2)C(C)C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)=C(C)N1S(C)(=O)=O,
+[S][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,HITRDHOZMYOHCH-UHFFFAOYSA-N,,,,CSc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[O][Branch2][=Branch1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Branch1][C][C],O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C,0,BXCHXBQOUXEKRO-YNOBPPCASA-O,,,,COC(=O)CN1C(C)=C(C(=O)NOCc2ccccc2)C(C)C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)=C1C,
+[O][Branch2][=Branch1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Branch1][C][C][C],O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C)CC,0,YTKRBAXKPYDSRW-MXUAVAHLSA-O,,,,CCOC(=O)CN1C(C)=C(C(=O)NOCc2ccccc2)C(C)C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)=C1C,
+[O][=C][Branch2][Ring2][P][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2],O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1,0,DJFBJFNKECFROO-FBZFJNBBSA-N,,,CHEMBL1087736,,220211.0
+[F][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][N][=C][Branch1][C][N][C@@H1][N][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C],Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)[C@@H]2N1CCCC2)C,0,LXQPUHUACOXCSI-DUSLRRAJSA-N,,,,CC1(c2cccc(-c3cncc(F)c3)c2)N=C(N)C2CCCCN21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Ring2][N][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Branch1][C][C],S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C,0,SDVIJSYVKMOBBP-WFWYVRNUSA-O,,,,CC1=C(C(=O)NC(C)c2ccccc2)C(C)C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)=C(C)N1S(C)(=O)=O,
+[O][Branch2][Branch1][=N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][=Branch2][Ring1][Ring2][=C][N][Branch1][N][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][=Ring1][=C][C][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C(=O)C=1[C@@H](C)C(=CN(CC(OC(C)C)=O)C=1C)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)Cc1ccccc1,0,JADFFYUVUDGVFO-KEPSJGTLSA-O,,,,CC1=C(C(=O)OCc2ccccc2)C(C)C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)=CN1CC(=O)OC(C)C,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][Branch1][N][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][Ring1][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][=Branch1][C][C],S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C,0,QHBMSDGVMGLBIY-WGCRQIBSSA-O,,,,CCC1C(C(=O)NC(C)c2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][P][N][Branch1][C][C][C][=C][C][=Branch2][Ring2][Ring1][=C][C][Branch2][Ring1][#Branch2][N][N][=N][C][=Branch1][Ring2][=C][Ring1][Branch1][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(-n2nnc(c2)C([NH3+])(Cc2ccccc2)C)c1)C(=O)NC(C)c1ccc(F)cc1)C,0,XISQCJSAFXBFSY-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(N(C)S(C)(=O)=O)cc(-n2cc(C(C)([NH3+])Cc3ccccc3)nn2)c1)c1ccc(F)cc1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][#Branch2][=N][C][Branch1][Ring2][C][Ring1][#Branch1][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Ring1][#Branch2][N],O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(NC(=O)C)ccc1)N,0,ULWMOJJBDFGCHT-UHFFFAOYSA-N,,,,CC(=O)Nc1cccc(-c2cccc(C3CC3C3(C)CC(=O)N(C)C(N)=N3)c2)c1,
+[N][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][P][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][Ring2][=N][Ring1][Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1],n1cc(cnc1)-c1cc(ccc1)C1(N=C(C(C)C)C(=N1)N)c1ccccc1,0,JBCUFKPVMAMCAR-UHFFFAOYSA-N,,,CHEMBL2180020,,367687.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][Branch2][=N][C][Branch1][Ring2][C][Ring1][#Branch1][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N,0,YBXYDJCRBQOXMI-UHFFFAOYSA-N,,,,CN1C(=O)CC(C)(C2CC2c2ccccc2)N=C1N,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=N][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)CNC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0,LAZFBWADBQXRED-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(CNC(=O)C([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][NH2+1][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1)c1ccccc1,0,LNBSMZJNSGKBLJ-UHFFFAOYSA-O,,,,O=C(C1C[NH2+]CC1c1ccccc1Br)N1CCC(c2ccccc2)CC1,
+[O][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][NH2+1][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC1c1ccccc1,0,GWNMKQNNLDJEDC-UHFFFAOYSA-O,,,,O=C(C1C[NH2+]CC1c1ccccc1)N1CCC(c2ccccc2)CC1,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][\C][=C][\C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C],FC(F)(F)c1ccc(cc1)\C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C,0,IUNZFUUAUQCURY-QCUZZJFWSA-N,16741878.0,"cid is 16741878,compound_name is (2R,4S,5S)-4-hydroxy-2,7-dimethyl-N-(2-methylpropyl)-5-[[(2S)-3-phenyl-2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]propanoyl]amino]octanamide,cid_paras is 16741878,Molecular_Weight is 603.7,XLogP3 is 6.5,Hydrogen_Bond_Donor_Count is 4,Hydrogen_Bond_Acceptor_Count is 7,Rotatable_Bond_Count is 15,Exact_Mass is 603.32839138,Monoisotopic_Mass is 603.32839138,Topological_Polar_Surface_Area is 108,""Unit"":""Ų"",Heavy_Atom_Count is 43,Formal_Charge is 0,Complexity is 894,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 4,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 1,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL1098682,,220221.0
+[Br][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],Brc1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1,0,QKBCDBDMTIPQQI-UHFFFAOYSA-N,11645215.0,"cid is 11645215,compound_name is 2-Amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4(3H)-one,cid_paras is 11645215,Molecular_Weight is 308.17,XLogP3 is 1.8,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 2,Rotatable_Bond_Count is 3,Exact_Mass is 307.03202,Monoisotopic_Mass is 307.03202,Topological_Polar_Surface_Area is 58.7,""Unit"":""Ų"",Heavy_Atom_Count is 18,Formal_Charge is 0,Complexity is 392,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL2169930,,365072.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][N][=C][Branch1][C][N][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C],O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)CN1C(=O)C)C,0,SQWQHNDHYHUWMQ-UHFFFAOYSA-N,,,CHEMBL2380457,,384804.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1,0,XIYBKNUQOILLJU-LJQANCHMSA-O,,,,COc1cccc(C2(c3ccccc3)[NH+]=C(N)N3CCCN=C32)c1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Ring2][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][#N][N],O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC#N)N,0,RYWRZWWVMHYEEG-UHFFFAOYSA-N,,,,Cn1c(N)nc(C2CC2c2ccc(-c3cccc(CC#N)c3)cc2)cc1=O,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][=Branch1][=N][C][Branch1][Ring2][C][Ring1][#Branch1][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][O][N],O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N,0,FFRPKTRUDKKYLB-UHFFFAOYSA-N,,,,CN1C(=O)CC(C)(C2CC2c2cccc(-c3cccc(CO)c3)c2)N=C1N,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#C][N][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Branch1][P][NH1+1][Branch1][Branch1][C][C][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1ccccc1)C,0,JTQJHALTNLOPJB-UHFFFAOYSA-O,,,,CC1CC2(CC[NH+]1Cc1ccccc1)CNS(=O)(=O)N2c1cccc(F)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][=Branch1][=Branch2][N][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch2][C][Branch1][S][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C(C(=O)NOCc2ccccc2)=C1C)c1ccccc1)C,0,APLQMRZTRIZQPN-HHMOXRITSA-O,,,,CC1=C(C(=O)NOCc2ccccc2)C(c2ccccc2)C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)=C(C)N1S(C)(=O)=O,
+[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][S][NH1+1][=C][Branch1][O][N][C][Ring1][Branch1][=N][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],FC(F)(F)c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1,0,MVTVKWUNLOATLP-UHFFFAOYSA-O,,,,NC1=[NH+]C(c2ccccc2)(c2cccc(C(F)(F)F)c2)C2=NCCCN21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CC)C(=O)NC(C)c1ccc(F)cc1)C,0,SWTIOLBIXUAGFK-UHFFFAOYSA-O,,,,CCC([NH3+])(COCc1cc(C(=O)NC(C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=C][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][O][C][C][Branch1][C][O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH3+1][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC(O)(Cc1ccccc1)C[NH3+])=O)C(=O)NC(C)c1ccc(F)cc1)C,0,WWWYAFACATVPMH-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(C(=O)OCC(O)(C[NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#Branch2][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)CCCC([NH3+])(Cc1ccccc1)CO)C,0,LRCBUQIMNATGBU-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(CCCC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#C][N][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Branch2][Ring1][#Branch1][NH1+1][Branch1][Branch1][C][C][Ring1][=C][C][C][=C][C][Branch1][Branch1][O][C][C][C][=C][C][=C][Ring1][#Branch2][C],S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCCC)ccc1)C,0,KMPNAVMNUBHZKH-UHFFFAOYSA-O,,,,CCCOc1cccc(C[NH+]2CCC3(CNS(=O)(=O)N3c3cccc(F)c3)CC2C)c1,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][C@H1][Branch1][Ring2][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][Branch1][N][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][=Ring2][Ring1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)C=1[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=1C)C)Cc1ccccc1,0,TYNIQBHKVGZKJG-YKILCQELSA-O,,,,CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cccc(OC)c1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Ring1][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][N],O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC)N,0,XQRORLDBJBDWQK-UHFFFAOYSA-N,,,,CCc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][P][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C],O(C)c1ccc(cc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C,0,GZARJCKECXNHAL-UHFFFAOYSA-N,,,,COc1ccc(-c2cccc(C3CC3C3(C)CC(=O)N(C)C(N)=N3)c2)cc1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Ring2][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][O][C][N],O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)COC)N,0,FMNYFEWMCRSGEK-UHFFFAOYSA-N,,,,COCc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][Ring2][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][O][N],O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CCO)N,0,RPQMGFMILRERQM-UHFFFAOYSA-N,,,,Cn1c(N)nc(C2CC2c2ccc(-c3cccc(CCO)c3)cc2)cc1=O,
+[O][Branch2][Branch1][=C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][=Branch2][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][Branch2][C][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][Branch1][C][C][Branch1][C][C][C],O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C,0,KKEZYCVDBBSKPD-SAAIGDAKSA-O,,,,CCCC1C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][=N][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC(O)(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C,0,AIDCSWYNABJDHJ-UHFFFAOYSA-N,,,,CC(NC(=O)c1cc(C(=O)NCC(O)(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][C][=C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1,0,CKMNYFMEILPBLI-UHFFFAOYSA-N,11608786.0,"cid is 11608786,compound_name is 4-(1-(4-Methoxyphenyl)cyclopentyl)thiazol-2-amine,cid_paras is 11608786,Molecular_Weight is 274.4,XLogP3 is 3.9,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 3,Exact_Mass is 274.11398438,Monoisotopic_Mass is 274.11398438,Topological_Polar_Surface_Area is 76.4,""Unit"":""Ų"",Heavy_Atom_Count is 19,Formal_Charge is 0,Complexity is 299,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL449357,,179673.0
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][#C][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccccc1)N,0,DBMVKTRRCAVWIY-UHFFFAOYSA-N,,,,Cn1c(N)nc(C2CC2c2ccc(-c3ccccc3)cc2)cc1=O,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][C][C@H1][Ring1][P][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)C1=CN(CC(OC(C)C)=O)C(C)=C(C(=O)C)[C@H]1C)Cc1ccccc1,0,OCFFIGQYGKBNEY-TVNVSJRUSA-O,,,,COc1cccc(C[NH2+]CC(O)C(Cc2ccccc2)NC(=O)C2=CN(CC(=O)OC(C)C)C(C)=C(C(C)=O)C2C)c1,
+[F][C][=C][C][Branch2][Branch1][=N][N][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][Branch1][N][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][=Ring1][P][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch2],Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1,0,LGSJTMUEVUBNRI-JTOILGAVSA-N,,,,CC(=O)C1=C(C)N(CC(=O)OC(C)C)C(C)=C(C(=O)NC(Cc2ccccc2)C(O)CNc2cccc(F)c2)C1C,
+[O][Branch1][C][C][C][=C][C][Branch2][Branch1][S][N][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][C@H1][Branch1][Ring2][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][Branch1][N][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][=Ring2][Ring1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][#Branch2],O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1,0,ODSVUOPSLHETDS-MJSOWUPRSA-N,,,,CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)NC(Cc1ccccc1)C(O)CNc1cccc(OC)c1,
+[Cl][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][O][O][C][Ring1][Branch1][C][C][C][C][Ring1][=Branch2][N],Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N,0,KMNYJUYNJBNGQM-UHFFFAOYSA-N,,,,NC1=NC2(c3cccc(-c4cc(F)cc(Cl)c4)c3)CCCCC2O1,
+[O][Branch2][Branch1][S][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][C][N][Branch1][#Branch2][C][C][C][O][C][=Branch1][C][=O][C][C][=Ring2][Ring1][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CCCOC(=O)C)C=1C)C)Cc1ccccc1,0,MJTFMNRKYZIKMT-IZDARVJKSA-O,,,,CC(=O)OCCCN1C(C)=C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)C(C)C(C(=O)OCc2ccccc2)=C1C,
+[F][C][=C][C][Branch2][Branch1][S][N][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][C@H1][Branch1][Ring2][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][Branch1][N][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][=Ring2][Ring1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][#Branch2],Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1,0,LYLILSZAMXSWHD-DYIKCSJPSA-N,,,,CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)NC(Cc1ccccc1)C(O)CNc1cccc(F)c1,
+[O][=C][Branch1][C][O-1][C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C([O-])C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1,0,SKZOZLFDNIMQMW-UHFFFAOYSA-M,,,,CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)C(=O)[O-])=N1,
+[F][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][O][O][C][Ring1][Branch1][C][O][C][C][Ring1][=Branch2][N],Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N,0,PIWQFKTZTDOVQG-UHFFFAOYSA-N,,,,NC1=NC2(c3cccc(NC(=O)c4ccc(F)cn4)c3)CCOCC2O1,
+[O][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][#Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][=Ring2][Ring1][P][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C(C)C)C)C=1C)C)Cc1ccccc1,0,CMNBTLFYHWUMQQ-RJSONGRPSA-O,,,,CC1=C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)C(C)C(C(=O)OCc2ccccc2)=C(C)N1CC(=O)N(C)C(C)C,
+[O][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][C][Branch1][#C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=O][=C][Ring2][Ring2][Ring2][C],O1CCN(CC1)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(OCc2ccccc2)=O)=C1C,0,PJFBTVXNTRSLPA-RJSONGRPSA-O,,,,CC1=C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)C(C)C(C(=O)OCc2ccccc2)=C(C)N1CC(=O)N1CCOCC1,
+[O][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N][C],O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C,0,AYTFEPLGCVRICQ-AYCKEJKLSA-O,,,,CC(=O)C1=C(C)N(CC(=O)OC(C)C)C(C)=C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)C1C,
+[F][C][=C][C][Branch2][Branch1][=Branch2][N][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][C][C@H1][Ring1][P][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][#Branch1],Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(CC(OC(C)C)=O)C(C)=C(C(=O)C)[C@H]2C)Cc2ccccc2)ccc1,0,INANMIZMGODMAT-XNZIZSAOSA-N,,,,CC(=O)C1=C(C)N(CC(=O)OC(C)C)C=C(C(=O)NC(Cc2ccccc2)C(O)CNc2cccc(F)c2)C1C,
+[Br][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][NH2+1][C][C][Branch1][Ring2][C][Ring1][Branch1][C][=C][Branch1][=Branch1][N][C][Ring1][=Branch1][=O][C][=C][C][=C][Ring1][=Branch2],Brc1ccc(cc1)COC(=O)C1[NH2+]CC2(C1)c1c(NC2=O)cccc1,0,OKOKOIXRZLVURN-UHFFFAOYSA-O,,,,O=C(OCc1ccc(Br)cc1)C1CC2(C[NH2+]1)C(=O)Nc1ccccc12,
+[O][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][Ring2][C][C][C][C][=Branch1][Branch1][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1,0,KKDBVMXUSPGZQN-LVZXSFDLSA-O,,,,CCCC1C(C(=O)NC(C)c2ccccc2)=CN(CC(=O)OC(C)C)C=C1C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1,
+[S][C][=Branch2][Ring1][=Branch1][=N][N][=C][Ring1][Branch1][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=Branch2][Ring1][Ring2][=C][C][Branch1][=N][N][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],s1c(nnc1C([NH3+])(Cc1ccccc1)C)-c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1,0,MPGXVCJGNDJNQR-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(-c2nnc(C(C)([NH3+])Cc3ccccc3)s2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][C][=C][C][=C][Ring1][Branch1][C][Branch2][Ring1][#C][NH2+1][C][C][Branch1][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][Branch2],s1cccc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1,0,ABTRYYRXKMVKDI-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccs2)CCCCC1,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@@][Branch1][#C][N][=C][Branch1][C][N][C][N][Branch1][C][C][C][Ring1][Branch2][=O][C],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)[C@@]1(N=C(N)CN(C)C1=O)C,0,MRYFMHAPTQCQLE-SFHVURJKSA-N,,,CHEMBL1923159,,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C@@][Branch1][P][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][Ring1][Branch2][C][C],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)[C@@]1(N=C(N)C(=O)N(C1)C)C,0,ARWLTZWIOYRTKV-GOSISDBHSA-N,,,CHEMBL1921816,CN1CC(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C(N)C1=O,339931.0
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch1][C@@][Branch1][P][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][Ring1][Branch2][C][C][=C][Branch1][C][F][C][=C][Ring1][P],Clc1ccc(nc1)C(=O)Nc1cc([C@@]2(N=C(N)C(=O)N(C2)C)C)c(F)cc1,0,IBPGEEKFYIPLRV-GOSISDBHSA-N,,,CHEMBL1923297,CN1CC(C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)C1=O,339932.0
+[NH1+1][C@@][Branch1][#C][C][N][Branch1][#Branch1][C][C][C][N][=Ring1][=Branch1][C][=Ring1][=Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],[NH+]=1[C@@](C=2N(CCCN=2)C=1N)(c1cc(ccc1)C(C)(C)C)c1ccccc1,0,ADMMMBVWAVNVKS-JOCHJYFZSA-O,,,,CC(C)(C)c1cccc(C2(c3ccccc3)[NH+]=C(N)N3CCCN=C32)c1,
+[O][Branch1][C][C][C][=C][C][Branch2][Branch1][P][N][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Branch2][C][=C][Branch1][=C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][=O][C@H1][Ring1][=N][C][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][N],O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(OC(C)(C)C)=O)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1,0,XMXITDLPCGBKLS-JWBZKWLISA-N,,,,CCCC1C(C(=O)NC(Cc2ccccc2)C(O)CNc2cccc(OC)c2)=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C,
+[O][Branch1][C][C][C][=C][C][Branch2][=Branch1][=Branch1][N][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][P][C][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][S],O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(=O)N[C@H](C)c3ccccc3)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1,0,FGPAWXPJMYQIHY-BAARFFAPSA-N,,,,CCCC1C(C(=O)NC(C)c2ccccc2)=CN(CC(=O)OC(C)C)C=C1C(=O)NC(Cc1ccccc1)C(O)CNc1cccc(OC)c1,
+[O][Branch2][Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][#Branch1][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][Branch2][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=O][C][Branch1][C][C][Branch1][C][C][C],O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C,0,UNWHHYUCVOOZLL-YMSRPXOMSA-O,,,,CC(C)OC(=O)CN1C=C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)C(C)C(C(=O)OC(C)(C)C)=C1,
+[S][C][=C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],s1cc(nc1N)C(Cc1ccccc1)c1ccc(OC)cc1,0,GJBZQLOSCWVBDU-UHFFFAOYSA-N,11702315.0,"cid is 11702315,compound_name is 4-(1-(4-Methoxyphenyl)-2-phenylethyl)thiazol-2-amine,cid_paras is 11702315,Molecular_Weight is 310.4,XLogP3 is 4.3,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 4,Rotatable_Bond_Count is 5,Exact_Mass is 310.11398438,Monoisotopic_Mass is 310.11398438,Topological_Polar_Surface_Area is 76.4,""Unit"":""Ų"",Heavy_Atom_Count is 22,Formal_Charge is 0,Complexity is 327,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL466782,,179674.0
+[O][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=Branch1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1,0,RZQUFKGAXOEZNP-PLSLCPROSA-O,,,,CC(C)OC(=O)CN1C=C(C(=O)NC(C)c2ccccc2)C(C)C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)=C1,
+[O][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][C][C@@H1][Branch1][Ring2][C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#C][C],O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](CCC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C,0,LAQORKPJHRSUQQ-KWXIBIRDSA-O,,,,CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1,
+[O][C][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N],O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N,0,ZBHOUCOAFAFRCE-UHFFFAOYSA-N,,,,N#Cc1cccc(-c2cccc(C34CCCCC3OC(N)=N4)c2)c1,
+[O][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],O(CC1CC1)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,MIHSIHKTDRFHFM-UHFFFAOYSA-N,,,,Cn1c(N)nc(C2CC2c2ccc(-c3cccc(OCC4CC4)c3)cc2)cc1=O,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][=Branch1][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][C][Branch1][#Branch2][N][Branch1][Branch1][C][=C][Ring1][Branch1][C][C][=C][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][C][C][C],O(C)c1cc(ccc1)C([NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1)(C)C,0,KPCQJMOTOVCVKD-UHFFFAOYSA-O,,,,CCn1ccc2c(N3CCCC3=O)cc(C(=O)NC(Cc3ccccc3)C(O)C[NH2+]C(C)(C)c3cccc(OC)c3)cc21,
+[O][C][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1],O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cncnc1,0,DXYNZFPKXOLORM-UHFFFAOYSA-N,,,,NC1=NC2(c3cccc(-c4cncnc4)c3)CCCCC2O1,
+[O][C][C][O][C][C][C][Ring1][=Branch1][Branch1][=Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1,0,VARBFUSWVFRBAQ-UHFFFAOYSA-N,,,,COc1cccc(-c2cccc(C34CCOCC3OC(N)=N4)c2)c1,
+[Cl][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][N][=C][Branch1][Branch1][S][C][=Ring1][Branch1][N],Clc1ccc(cc1)C1(CCCC1)c1nc(sc1)N,0,XPFGLSFZHFEJTJ-UHFFFAOYSA-N,11550876.0,"cid is 11550876,compound_name is 4-(1-(4-Chlorophenyl)cyclopentyl)thiazol-2-amine,cid_paras is 11550876,Molecular_Weight is 278.8,XLogP3 is 4.6,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 3,Rotatable_Bond_Count is 2,Exact_Mass is 278.0644474,Monoisotopic_Mass is 278.0644474,Topological_Polar_Surface_Area is 67.2,""Unit"":""Ų"",Heavy_Atom_Count is 18,Formal_Charge is 0,Complexity is 286,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 0,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL448459,,179672.0
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Branch1][C][O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][O][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][C][C][C][=C][C][=C][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)CCCC)cccc2)Cc1ccccc1,0,DOGHKYXIWVRNJQ-UHFFFAOYSA-O,,,,CCCCn1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21,
+[O][C][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1,0,UAVWWHDQHOMYKA-UHFFFAOYSA-N,,,,COc1cccc(-c2cccc(C34CCCCC3OC(N)=N4)c2)c1,
+[O][C][C][O][C][C][C][Ring1][=Branch1][Branch1][=Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][=C][Branch1][Branch1][O][C][=Ring1][Branch1][C][=C][C][=C][Ring1][#C],O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1,0,RDPZJGCUTRYXCP-UHFFFAOYSA-N,,,,Cc1nc(C(=O)Nc2cccc(C34CCOCC3OC(N)=N4)c2)co1,
+[O][Branch2][Branch1][P][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C@H1][Branch1][C][O][C][NH2+1][C][C][C][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][Ring1][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Ring2][Ring1][#C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C(=O)C=1[C@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C)C)C=1C)C)Cc1ccccc1,0,WNPBYOTXURQWEF-MXUAVAHLSA-O,,,,CC1=C(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)C(C)C(C(=O)OCc2ccccc2)=C(C)N1CC(=O)N(C)C,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][S][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N],O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccccc1C)N,0,KOTTVSUKQAFIAE-UHFFFAOYSA-N,,,,Cc1ccccc1-c1ccc(C2CC2c2cc(=O)n(C)c(N)n2)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch1][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C],S(=O)(=O)(N(Cc1ccccc1)C)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C,0,HRCZMIYCTNBPAO-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2)c1)C(=O)NC1CCCCC1,
+[Cl][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][#Branch2][S][C][C][C][Ring1][#Branch1][C][Ring1][Branch2][N],Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCCC1C2)N,0,WQDXYYJHDFSNIX-UHFFFAOYSA-N,,,CHEMBL2331710,,378680.0
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][C][=C][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C,0,LHBBXWAJMYDMEG-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2nc(C(C)(C)C)co2)CC1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][Ring2][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1,0,YFNHYENPPGZMJV-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1,
+[O][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C@][Branch1][=C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2],O(C)c1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3,0,HZIOSWLCMNAEBB-QVLKYBFXSA-N,,,CHEMBL585120,,206102.0
+[Cl][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][O][O][C][Ring1][Branch1][C][O][C][C][Ring1][=Branch2][N],Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N,0,RTYCPENYHLWTRO-UHFFFAOYSA-N,,,,NC1=NC2(c3cccc(-c4cncc(Cl)c4)c3)CCOCC2O1,
+[O][C][C][O][C][C][C][Ring1][=Branch1][Branch1][=Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][#N],O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N,0,ZXBFVKMCXXKLLW-UHFFFAOYSA-N,,,,N#Cc1cccc(-c2cccc(C34CCOCC3OC(N)=N4)c2)c1,
+[S][C][=C][Branch1][Branch1][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],s1cc(cc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,JGXXFOVQCDSDRK-UHFFFAOYSA-N,,,,Cn1c(N)nc(C2CC2c2ccc(-c3ccsc3)cc2)cc1=O,
+[F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][O][O][C][Ring1][Branch1][C][C][C][C][Ring1][=Branch2][N],Fc1ncccc1-c1cc(ccc1)C12N=C(OC1CCCC2)N,0,MYMMWRTUXINOCU-UHFFFAOYSA-N,,,,NC1=NC2(c3cccc(-c4cccnc4F)c3)CCCCC2O1,
+[Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][NH2+1][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCOCC1c1ccccc1,0,RTUJSVVWMUMAOB-UHFFFAOYSA-O,,,,O=C(C1C[NH2+]CC1c1ccccc1Br)N1CCOCC1c1ccccc1,
+[O][=C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][Branch2][N][C][Ring2][Ring1][Branch1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][C][=N],O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CCc1ccccc1)CC(C)C)=N,0,VASRCYVPCXINGR-UHFFFAOYSA-N,,,CHEMBL569427,,202890.0
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][NH2+1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C],S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C,0,AFGVBPYOFPPOQR-UHFFFAOYSA-O,,,,CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1,
+[S][C][=C][Branch2][Ring2][Branch1][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2][C],s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C,0,ZAKASYSMYUXBQI-UHFFFAOYSA-N,,,,Cc1csc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[O][Branch1][C][C][C][=N][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],O(C)c1nc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,RZAPUTKYDRMAOK-UHFFFAOYSA-N,,,,COc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)n1,
+[Cl][C][=C][C][N][=C][Branch2][Ring2][=Branch1][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N],Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N,0,FFCRZVXHFYDIEM-UHFFFAOYSA-N,,,,CC(C)CC(CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc21,
+[O][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],O(C(C)C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,LJJJUAVUPNMRIJ-UHFFFAOYSA-N,,,,CC(C)Oc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][NH2+1][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCCCC1c1ccccc1,0,RZEULNVMLJPCDM-UHFFFAOYSA-O,,,,O=C(C1C[NH2+]CC1c1ccccc1Br)N1CCCCC1c1ccccc1,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][#C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][N],Clc1cc2nc(n(c2cc1)CCCC(=O)N(CC1CCCCC1)C)N,0,KDDUNAHVUVLPJZ-UHFFFAOYSA-N,,,CHEMBL1222140,,227788.0
+[O][C][=C][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],o1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,WWGJJEBUVDZSIS-UHFFFAOYSA-N,,,,Cn1c(N)nc(C2CC2c2ccc(-c3ccco3)cc2)cc1=O,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][=Branch1][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N],O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)C(=O)N)N,0,MEULXHOISDFMIF-UHFFFAOYSA-N,,,,Cn1c(N)nc(C2CC2c2ccc(-c3cccc(C(N)=O)c3)cc2)cc1=O,
+[Br][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][O][NH2+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][O],Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2ccccc2)C1O,0,VMMOXGOGBPGNOE-UHFFFAOYSA-O,,,,O=S1(=O)CC(Cc2ccc(O)c(Br)c2)C(O)C([NH2+]Cc2ccccc2)C1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][#Branch1][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Ring1][#Branch2][N],O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(NC(=O)C)ccc1)N,0,LSTAFTJPZZWDHE-UHFFFAOYSA-N,,,,CC(=O)Nc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][N][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][=C][=C][C][Branch2][Ring1][Branch1][O][C][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C,0,ODGAGVBZJZEVES-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(OCCC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][#C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N,0,YTYLSGGBDMTGBB-UHFFFAOYSA-N,,,,CCC(CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][C][C][Branch2][Ring2][=Branch2][N][=C][Branch2][Ring1][O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][O][C][=C][C][=Ring1][Branch1][C][=N][Ring1][=Branch2][C][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc4occc4cn3)c2cc1)(C)C,0,QHGKBEUNVIGBBZ-UHFFFAOYSA-N,,,,CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2ncc3ccoc3n2)=N1,
+[Cl][C][=C][C][N][=C][Branch2][Ring2][#Branch2][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][Branch1][Ring1][O][C][=O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N,0,WVWFCXDGQLAMMO-UHFFFAOYSA-N,,,,CCC(CC(=O)NC(COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][N][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][N],Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CCCCC1)N,0,JHBRHRSPHWUPGK-UHFFFAOYSA-N,,,CHEMBL1222031,,227768.0
+[O][Branch2][Ring1][=N][C][=Branch1][C][=O][C][NH2+1][C][C][Branch1][Ring2][C][Ring1][Branch1][C][=C][Branch1][=Branch1][N][C][Ring1][=Branch1][=O][C][=C][C][=C][Ring1][=Branch2][C][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C],O(C(=O)C1[NH2+]CC2(C1)c1c(NC2=O)cccc1)C1CCN(CC1)C(=O)C,0,ZTAKZWLKLGRPRA-UHFFFAOYSA-O,,,,CC(=O)N1CCC(OC(=O)C2CC3(C[NH2+]2)C(=O)Nc2ccccc23)CC1,
+[Cl][C][=C][C][N][=C][Branch2][Ring2][=Branch2][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N,0,BFRFRPJXSNPOCU-UHFFFAOYSA-M,,,,CCC(CC(=O)NC(COC(C)(C)C)C(=O)[O-])n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][S][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NCCC(C)(C)C)CC)N,0,ZOKNKPRORGNRMQ-UHFFFAOYSA-N,,,,CCC(CC(=O)NCCC(C)(C)C)n1c(N)nc2cc(Cl)ccc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#C][N][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Branch2][Ring1][Branch1][NH1+1][Branch1][Branch1][C][C][Ring1][=C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C],S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC)ccc1)C,0,YEHAWYCEGPOXCV-UHFFFAOYSA-O,,,,COc1cccc(C[NH+]2CCC3(CNS(=O)(=O)N3c3cccc(F)c3)CC2C)c1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][#C][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][P][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][O][C][C][Branch1][Ring1][NH2+1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C,0,DUXYVWLGBFHNLM-UHFFFAOYSA-O,,,,C[NH2+]C(CO)(COC(=O)c1cc(C(=O)NC(C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][N][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][=C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(NCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C,0,WGADIRVPWBCVGT-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(NCCC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][Branch2][Ring1][Ring2][C][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=Branch2][Ring1][Ring2][=C][C][Branch1][=N][N][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],S(CCC([NH3+])(Cc1ccccc1)CO)c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1,0,FZMBGLPCAYNJMK-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(SCCC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Ring1][Ring2][C][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=Branch2][Ring1][Ring2][=C][C][Branch1][=N][N][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],S(=O)(=O)(CCC([NH3+])(Cc1ccccc1)CO)c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1,0,IPHPXIDOPOXJRX-UHFFFAOYSA-O,,,,CC(NC(=O)c1cc(N(C)S(C)(=O)=O)cc(S(=O)(=O)CCC([NH3+])(CO)Cc2ccccc2)c1)c1ccc(F)cc1,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][O][N][Branch1][C][C][C][=C][C][=Branch2][Ring1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][Branch1][C][NH3+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)COC)C(=O)NC(C)c1ccc(F)cc1)C,0,WWPRRUFEAYIBJG-UHFFFAOYSA-O,,,,COCC([NH3+])(COCc1cc(C(=O)NC(C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1,
+[O][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O(C)c1cc(ccc1)C(=O)NCC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1,0,TVZAFGIMDGJLGT-UHFFFAOYSA-N,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)CNC(=O)c2cccc(OC)c2)c2cccnc21,
+[S][=Branch1][C][=O][=Branch1][C][=O][Branch2][Branch1][Ring2][N][C][C][Branch1][C][O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2],S(=O)(=O)(NCC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1)c1cc(OC)ccc1,0,BBKXVISTQOOCHG-UHFFFAOYSA-N,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)CNS(=O)(=O)c2cccc(OC)c2)c2cccnc21,
+[O][C][Branch2][Ring2][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][C][Ring1][Ring1],OC(C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1)C[NH2+]C1CC1,0,WYQRKHXMYQRHBY-UHFFFAOYSA-O,,,,CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C2CC2)c2cccnc21,
+[Br][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][NH3+1][C][Ring1][=Branch2][O],Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH3+])C1O,0,CSNNEONDATWXHU-UHFFFAOYSA-O,,,,[NH3+]C1CS(=O)(=O)CC(Cc2ccc(O)c(Br)c2)C1O,
+[N][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][P][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][Ring2][=N][Ring1][Branch2][N][C],n1cc(ccc1)-c1cc(ccc1)C1(N=C(C(C)C)C(=N1)N)C,0,ZDXVBHMGBXHWOR-UHFFFAOYSA-N,,,CHEMBL2180017,,367684.0
+[O][Branch1][C][C][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],O(C)c1nccc(c1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,ZCHOEJLWCQGZOA-UHFFFAOYSA-N,,,,COc1cc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)ccn1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring2][C][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N],O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccc(cc1)C)N,0,FBSQSJNXSBPZNY-UHFFFAOYSA-N,,,,Cc1ccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)cc1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][Branch2][=N][C][Branch1][Ring2][C][Ring1][#Branch1][Branch1][C][C][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N,0,YBXYDJCRBQOXMI-ZVORSSOTSA-N,,,,CN1C(=O)CC(C)(C2CC2c2ccccc2)N=C1N,
+[Cl][C][=C][C][C][C][Branch2][Ring2][Ring2][N][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ncccn3)c2cc1)(C)C,0,JDRXQLVAUZOERE-UHFFFAOYSA-N,,,CHEMBL2346794,,
+[F][C][=C][C][=Branch1][=Branch2][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][O][C][=C][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C],Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C,0,UKJHEEXOWGVLDU-UHFFFAOYSA-O,,,,CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2nc(C(C)(C)C)co2)CCCCC1,
+[S][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][C][=C][C][Branch1][S][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][P][C][Branch1][C][O][C][Branch1][C][NH3+1][C][Ring2][Ring1][O],S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1,0,VLHAYZZEMIYRND-UHFFFAOYSA-O,,,,COCC(Oc1cc(CC2CS(=O)CC([NH3+])C2O)cc(F)c1N)C(F)(F)F,
+[S][C][=Branch1][#Branch1][=C][C][=C][Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,HOYSJTOUCXULQP-UHFFFAOYSA-N,,,,Cc1ccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)s1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][C][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(=C1)CCc1ccccc1)N,0,MALAKURYZJFBLT-UHFFFAOYSA-N,,,CHEMBL237888,,150052.0
+[Cl][C][=C][C][C][C][Branch2][Ring2][Ring1][N][=C][Branch2][Ring1][Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=N][N][=Ring1][Branch1][C][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ocnn3)c2cc1)(C)C,0,BWOIXOCKMIWTRJ-UHFFFAOYSA-N,,,CHEMBL2346792,,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][Branch2][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N],Clc1cc2nc(n(c2cc1)CCCC(=O)NC(C)C)N,0,DODYWTFDGHLEGL-UHFFFAOYSA-N,,,CHEMBL1221978,,227751.0
+[Cl][C][=C][C][N][=C][Branch2][Ring2][C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][N],Clc1cc2nc(n(c2cc1)CCCC(=O)N(Cc1cc(F)ccc1)C)N,0,UOKIRMWENSTYCK-UHFFFAOYSA-N,,,CHEMBL1222139,,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][N][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(=C1)CCc1ccc(cc1)-c1ccccc1)N,0,NVLLOUACESTEBF-UHFFFAOYSA-N,,,CHEMBL2169941,,
+[O][C][C][O][C][C][C][Ring1][=Branch1][Branch1][=Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C],O1C2COCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1,0,YELURRUKNVGYTM-UHFFFAOYSA-N,,,,NC1=NC2(c3cccc(NC(=O)c4ccccn4)c3)CCOCC2O1,
+[Br][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][O][O][C][Ring1][Branch1][C][C][C][C][Ring1][=Branch2][N],Brc1cc(ccc1)C12N=C(OC1CCCC2)N,0,MRYJMDWUNQLGES-UHFFFAOYSA-N,,,,NC1=NC2(c3cccc(Br)c3)CCCCC2O1,
+[O][C][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C],O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1,0,PSTOJDFGHUDGMH-UHFFFAOYSA-N,,,,NC1=NC2(c3cccc(NC(=O)c4ccccn4)c3)CCCCC2O1,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][Branch1][=N][C@][Branch1][Ring2][C][Ring1][#Branch1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N],O=C1N(C)C(=N[C@](C1)(CCc1ccccc1)C)N,0,NHJCZSSEYRWDOJ-AWEZNQCLSA-N,11630139.0,"cid is 11630139,compound_name is 2-amino-3,6-dimethyl-6-phenethyl-5,6-dihydropyrimidin-4(3H)-one,cid_paras is 11630139,Molecular_Weight is 245.32,XLogP3 is 1.1,Hydrogen_Bond_Donor_Count is 1,Hydrogen_Bond_Acceptor_Count is 2,Rotatable_Bond_Count is 3,Exact_Mass is 245.152812238,Monoisotopic_Mass is 245.152812238,Topological_Polar_Surface_Area is 58.7,""Unit"":""Ų"",Heavy_Atom_Count is 18,Formal_Charge is 0,Complexity is 347,Isotope_Atom_Count is 0,Defined_Atom_Stereocenter_Count is 0,Undefined_Atom_Stereocenter_Count is 1,Defined_Bond_Stereocenter_Count is 0,Undefined_Bond_Stereocenter_Count is 0,Covalently_Bonded_Unit_Count is 1,Compound_Is_Canonicalized is Yes",CHEMBL3040462,,
+[S][C][=C][Branch1][=Branch1][N][=C][Ring1][Branch1][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],s1cc(nc1N)C1(CCCC1)c1ccccc1,0,OGEZYPPIKAJNGR-UHFFFAOYSA-N,,,CHEMBL511383,,
+[Cl][C][=C][C][N][=C][Branch2][Ring2][Ring1][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][N],Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N,0,DCUNLWYJVWFCQQ-UHFFFAOYSA-N,,,,CC(C)CC(CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][N][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CC1)CC)N,0,PYEQKSCLPQJZJX-UHFFFAOYSA-N,,,,CCC(CC(=O)NCC1CC1)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][#C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NC(C)C)N,0,MQBQMYOSDZAGET-UHFFFAOYSA-N,,,,CC(C)CC(CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][#C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N],Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1cc(F)ccc1)N,0,BCDSIEWCDJJLIO-UHFFFAOYSA-N,,,CHEMBL1222033,,
+[Cl][C][=C][C][C][C][Branch2][Ring2][#Branch1][N][=C][Branch2][Ring1][=Branch2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Branch1][=Branch1][=C][C][=N][Ring1][=Branch1][C][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc(ccn3)C)c2cc1)(C)C,0,FDQFWCLDQBSPQX-UHFFFAOYSA-N,,,CHEMBL2346795,,
+[Cl][C][=C][C][N][=C][Branch2][Ring2][Ring1][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccc(F)cc1)CC)N,0,VMDUYCCEHALVOS-UHFFFAOYSA-N,,,,CCC(CC(=O)NCc1ccc(F)cc1)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][#C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][NH2+1][C][Ring1][Branch1][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NCCC1CC[NH2+]C1)CC)N,0,SHGRFCHQDXOVIT-UHFFFAOYSA-O,,,,CCC(CC(=O)NCCC1CC[NH2+]C1)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][=C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][C][C][C][NH1+1][Branch1][Branch1][C][C][Ring1][=Branch1][C][N],Clc1cc2nc(n(c2cc1)CCCC(=O)NC1CC[NH+](CC1)C)N,0,WCPKOJUODFAWNB-UHFFFAOYSA-O,,,,C[NH+]1CCC(NC(=O)CCCn2c(N)nc3cc(Cl)ccc32)CC1,
+[Cl][C][=C][C][C][C][Branch2][Ring2][=Branch1][N][=C][Branch2][Ring1][Branch2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][Branch1][=N][N][=Ring1][Branch1][C][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][Branch1][C][C][C],Clc1cc2CC(N=C(NC(Cc3ccccc3)c3oc(nn3)C)c2cc1)(C)C,0,OAJMPDYBXZJAMJ-UHFFFAOYSA-N,,,CHEMBL2346793,,
+[Cl][C][=C][C][N][=C][Branch2][Ring2][Ring1][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1cc(F)ccc1)CC)N,0,FBEBIFSHWMWIBE-UHFFFAOYSA-N,,,,CCC(CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring2][Ring1][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)N(CC1CCCCC1)C)CC)N,0,UOWJPDUWIBBAPQ-UHFFFAOYSA-N,,,,CCC(CC(=O)N(C)CC1CCCCC1)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][N][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][N],Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N,0,XDDCAOMGFLTNDR-UHFFFAOYSA-N,,,CHEMBL1222030,,227767.0
+[Cl][C][=C][C][N][=C][Branch2][Ring1][S][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][NH1+1][C][C][O][C][C][Ring1][=Branch1][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NCC[NH+]1CCOCC1)CC)N,0,MVZZFHRIHUFSMI-UHFFFAOYSA-O,,,,CCC(CC(=O)NCC[NH+]1CCOCC1)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][N][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][NH2+1][C][Ring1][Branch1][N],Clc1cc2nc(n(c2cc1)CCCC(=O)NCCC1CC[NH2+]C1)N,0,SVYBIOOQQZRSEQ-UHFFFAOYSA-O,,,,Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCCC1CC[NH2+]C1,
+[NH1][N][=N][N][=C][Ring1][Branch1][C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],[nH]1nnnc1C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1,0,HWQBHEXYOVDZOR-UHFFFAOYSA-N,,,CHEMBL2346791,,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][O][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C)C)CC)N,0,RXUAKNXAMROXDH-UHFFFAOYSA-N,,,,CCC(CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch1][=Branch2][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][N],Clc1cc2nc([nH]c2cc1)N,0,PDOCNPCPPLPXRV-UHFFFAOYSA-N,,,CHEMBL269158,,4738.0
+[Cl][C][=C][C][N][=C][Branch2][Ring1][=N][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][C][C][NH1+1][C][C][O][C][C][Ring1][=Branch1][N],Clc1cc2nc(n(c2cc1)CCCC(=O)NCC[NH+]1CCOCC1)N,0,CGADGHRMHMGTCV-UHFFFAOYSA-O,,,,Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC[NH+]1CCOCC1,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][#C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CCOCC1)CC)N,0,MGDIYBDWQLFUQN-UHFFFAOYSA-N,,,,CCC(CC(=O)NCC1CCOCC1)n1c(N)nc2cc(Cl)ccc21,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][#C][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][N],Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N,0,VNUVPFZMZYGABL-UHFFFAOYSA-N,,,,CCC(CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc21,
+[Br][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2],Brc1cc(ccc1)C1CC1C=1N=C(N)N(C)C(=O)C=1,0,FNZZUITVFBKILF-UHFFFAOYSA-N,,,,Cn1c(N)nc(C2CC2c2cccc(Br)c2)cc1=O,
+[O][=C][N][Branch1][C][C][C][=Branch2][Ring1][#C][=N][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N],O=C1N(C)C(=NC(=C1)C1CC1c1cc(ccc1)-c1ccccc1)N,0,IPEYSHXKDLIENI-UHFFFAOYSA-N,,,,Cn1c(N)nc(C2CC2c2cccc(-c3ccccc3)c2)cc1=O,
+[Cl][C][=C][C][N][=C][Branch2][Ring1][=Branch2][N][Branch1][Branch2][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][N],Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N,0,AHNGNPKUTAWEGW-UHFFFAOYSA-N,,,CHEMBL1222034,,227770.0