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| ,chembl_ids,IC50s,SMILES | |
| 10,CHEMBL348961,0.014,Cc1cc2c(nn1)-c1cc(OCCCC(F)(F)F)ccc1C2=O | |
| 4705,CHEMBL972,0.017,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 538,CHEMBL972,0.017,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4707,CHEMBL396778,0.023,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 514,CHEMBL315361,0.048,O=C(O)c1coc2ccccc2c1=O | |
| 4706,CHEMBL887,0.05,C#CCN[C@@H]1CCc2ccccc21 | |
| 2737,CHEMBL4129303,0.134,Cc1ccc2oc(=O)c(-c3cccc(Br)c3)cc2c1 | |
| 1607,CHEMBL3319268,0.227,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ccc2c1 | |
| 4240,CHEMBL1835228,0.308,Cc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1 | |
| 1497,CHEMBL1835228,0.3085,Cc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1 | |
| 730,CHEMBL1835228,0.31,Cc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1 | |
| 13,CHEMBL414637,0.318,O=C1CCc2cc(OCCCC(F)(F)F)ccc21 | |
| 4013,CHEMBL4861804,0.35,C#CCNC1CCc2c(SCCc3cccc(C)c3)cccc21 | |
| 4731,CHEMBL5407170,0.37,O=C1CCc2ccc(OCc3ccccc3F)cc2O1 | |
| 4732,CHEMBL3359944,0.37,O=c1cc(CCCl)c2ccc(OCc3cccc(Cl)c3)cc2o1 | |
| 1617,CHEMBL3319256,0.386,Cn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 | |
| 2459,CHEMBL3319256,0.386,Cn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 | |
| 3669,CHEMBL4206812,0.4,O=C(Nc1cccc(Cl)c1)c1coc2ccccc2c1=O | |
| 2595,CHEMBL4068321,0.5,O=c1ccc2ccc(OCc3ccc(Br)cc3)cc2o1 | |
| 2456,CHEMBL3319244,0.586,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ncc2c1 | |
| 4634,CHEMBL3319244,0.586,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ncc2c1 | |
| 1630,CHEMBL3319244,0.586,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ncc2c1 | |
| 1385,CHEMBL3121793,0.588,COC(=O)c1cc2ccc(OCc3cccc(F)c3)cc2oc1=O | |
| 1603,CHEMBL3319272,0.612,Clc1ccc(/N=C/c2ccc3[nH]ncc3c2)cc1Cl | |
| 523,CHEMBL1642678,0.66,O=C1Nc2ccc(CCCCc3ccccc3)cc2C1=O | |
| 2461,CHEMBL4061639,0.662,Cn1ncc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21 | |
| 1626,CHEMBL3319247,0.668,O=C(Nc1ccc(Cl)c(F)c1)c1ccc2[nH]ncc2c1 | |
| 3674,CHEMBL4209203,0.67,Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C | |
| 1627,CHEMBL3317469,0.679,O=C(Nc1ccc(F)c(Cl)c1)c1ccc2[nH]ncc2c1 | |
| 2457,CHEMBL3317469,0.679,O=C(Nc1ccc(F)c(Cl)c1)c1ccc2[nH]ncc2c1 | |
| 4345,CHEMBL5174789,0.7,COc1cccc(Cn2ccc3c(N4CCC(OC)CC4)nc4ccccc4c32)c1 | |
| 737,CHEMBL1835231,0.74,COc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1Br | |
| 1387,CHEMBL3121791,0.77,C#CCCCCOc1ccc2c(C)cc(=O)oc2c1 | |
| 733,CHEMBL570731,0.8,COc1cccc(-c2cc3cc(C)ccc3oc2=O)c1 | |
| 4344,CHEMBL5209131,0.8,COC1CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)CC1 | |
| 2601,CHEMBL4079843,0.8,Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 | |
| 218,CHEMBL570731,0.8026,COc1cccc(-c2cc3cc(C)ccc3oc2=O)c1 | |
| 1378,CHEMBL3121865,0.875,CCCCCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1 | |
| 1747,CHEMBL19004,0.9,Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O | |
| 2600,CHEMBL4097867,0.9,Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 | |
| 4730,CHEMBL5416702,1.0,COc1cccc(-c2cc3cc(Cl)ccc3oc2=O)c1 | |
| 1602,CHEMBL3319273,1.03,Cn1ncc2cc(/C=N/c3ccc(Cl)c(Cl)c3)ccc21 | |
| 3666,CHEMBL4591558,1.03,O=C(Nc1ccccc1Br)c1coc2ccccc2c1=O | |
| 2465,CHEMBL4104691,1.08,COCCn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 | |
| 2171,CHEMBL325761,1.1,Cc1c(C)c2ccc(OCc3ccc(F)c(F)c3)cc2oc1=O | |
| 4279,CHEMBL5191498,1.1,O=C1CCCc2ccc(OCc3ccc(Cl)cc3)cc21 | |
| 3532,CHEMBL4450595,1.11,O=C(Nc1ccc2[nH]ccc2n1)c1ccc(Cl)c(Cl)c1 | |
| 1157,CHEMBL325761,1.14,Cc1c(C)c2ccc(OCc3ccc(F)c(F)c3)cc2oc1=O | |
| 3656,CHEMBL4592562,1.15,O=C(Nc1ccc(Br)cc1)c1coc2ccccc2c1=O | |
| 183,CHEMBL488074,1.18,C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCC3 | |
| 4274,CHEMBL5185721,1.2,O=C1CCCc2ccc(OCc3ccccc3)cc21 | |
| 3427,CHEMBL4539722,1.28,Clc1cc(/N=C/c2ccc3[nH]ncc3c2)cnc1Cl | |
| 3428,CHEMBL4466571,1.29,COCCn1ncc2cc(/C=N/c3ccc(Cl)c(Cl)c3)ccc21 | |
| 2332,CHEMBL3911291,1.3,CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O | |
| 2602,CHEMBL4105601,1.3,Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 | |
| 1231,CHEMBL972,1.3,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1304,CHEMBL972,1.3,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3670,CHEMBL4204513,1.33,O=C(Nc1cccc(Br)c1)c1coc2ccccc2c1=O | |
| 586,CHEMBL1777845,1.35,COc1ccc(-c2cc3cc(Br)cc(OC)c3oc2=O)cc1 | |
| 100,CHEMBL470226,1.4,CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 | |
| 1195,CHEMBL2391742,1.4,O=C1OCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21 | |
| 2175,CHEMBL2391742,1.4,O=C1OCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21 | |
| 1393,CHEMBL3121784,1.41,C#CCCCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1 | |
| 1383,CHEMBL3121795,1.41,COC(=O)c1cc2ccc(OCCc3ccc(Cl)cc3)cc2oc1=O | |
| 2460,CHEMBL3319257,1.44,Cn1cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1 | |
| 1616,CHEMBL3319257,1.44,Cn1cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1 | |
| 179,CHEMBL487235,1.49,C=C(Br)COc1ccc2c(oc(=O)c3ccccc32)c1C | |
| 3986,CHEMBL4855359,1.52,O=C(Nc1cccc(Cl)c1)c1csc2ccccc2c1=O | |
| 725,CHEMBL1835224,1.52,COc1ccc2oc(=O)c(-c3ccc(C)cc3)cc2c1 | |
| 2463,CHEMBL4070309,1.52,Cn1ncc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc21 | |
| 1625,CHEMBL3319248,1.59,O=C(Nc1ccc(F)c(F)c1)c1ccc2[nH]ncc2c1 | |
| 2458,CHEMBL3319248,1.59,O=C(Nc1ccc(F)c(F)c1)c1ccc2[nH]ncc2c1 | |
| 1174,CHEMBL2382430,1.63,O=C(COc1cccc(Cl)c1)Nc1nc2ccccc2c(=O)s1 | |
| 991,CHEMBL2151667,1.7,C/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1cccnc1 | |
| 3671,CHEMBL4573588,1.73,O=C(Nc1cccc(O)c1)c1coc2ccccc2c1=O | |
| 1194,CHEMBL2391869,1.8,O=C1OCc2ccc(OCc3ccc(I)cc3)cc21 | |
| 4353,CHEMBL5178803,1.8,OC1CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)CC1 | |
| 4547,CHEMBL5282218,1.89,Cc1ccc(C2=NO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 | |
| 4913,CHEMBL5595997,1.9,O=C1C(c2cc(-c3cccc(C(F)(F)F)c3)no2)=CS(=O)(=O)c2ccccc21 | |
| 2596,CHEMBL4095676,1.9,Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3)ccc12 | |
| 3426,CHEMBL4567537,1.91,Fc1cc(/N=C/c2ccc3[nH]ncc3c2)ccc1Cl | |
| 4213,CHEMBL5186190,2.0,Cl.NC/C(=C\F)[C@@H]1Cc2ccccc2O1 | |
| 4573,CHEMBL145760,2.0,OCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1 | |
| 4211,CHEMBL5204901,2.0,Cl.NC/C(=C/F)[C@@H]1Cc2ccccc2O1 | |
| 808,CHEMBL1945272,2.0,O=c1ccoc2ccc(OCc3ccc(C(F)(F)F)cc3)cc12 | |
| 2180,CHEMBL1945153,2.0,O=c1ccoc2ccc(OCc3ccc(Cl)cc3)cc12 | |
| 4574,CHEMBL141933,2.0,OCCn1nnc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1 | |
| 4205,CHEMBL489079,2.0,NC/C(=C/F)CCc1ccc(F)cc1 | |
| 800,CHEMBL1945154,2.0,O=c1ccoc2ccc(OCc3cccc(Br)c3)cc12 | |
| 6,CHEMBL434261,2.0,N#CCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1 | |
| 2598,CHEMBL108660,2.0,Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12 | |
| 4903,CHEMBL5568907,2.0,O=c1c(-c2cc(-c3ccccc3C(F)(F)F)no2)csc2ccccc12 | |
| 4728,CHEMBL3415442,2.0,N/N=C/c1ccc(Cl)cc1 | |
| 799,CHEMBL1945153,2.0,O=c1ccoc2ccc(OCc3ccc(Cl)cc3)cc12 | |
| 4727,CHEMBL5273404,2.0,O=C(/C=C/c1ccc(F)cc1)c1ccc2c(c1)OCCO2 | |
| 1175,CHEMBL2382429,2.09,O=C(CCc1ccccc1Br)Nc1nc2ccccc2c(=O)s1 | |
| 972,CHEMBL2151544,2.09,C/C(=N/Nc1nc(-c2ccc(C#N)cc2)cs1)c1cccnc1 | |
| 2597,CHEMBL4094745,2.1,Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3)ccc12 | |
| 3425,CHEMBL4449231,2.1,Fc1ccc(/N=C/c2ccc3[nH]ncc3c2)cc1Cl | |
| 1576,CHEMBL3360732,2.1,Cc1ccc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c1 | |
| 3807,CHEMBL8706,2.2,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2604,CHEMBL4082300,2.2,Cc1c(C#N)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12 | |
| 8,CHEMBL17092,2.2,N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=O | |
| 4071,CHEMBL4847545,2.2,COc1ccc2c(=O)c(/C=C/c3ccc(Cl)cc3)coc2c1 | |
| 1578,CHEMBL3360734,2.2,Cc1ccc2oc(=O)c(-c3cccc(N)c3)cc2c1 | |
| 1606,CHEMBL3319269,2.26,Cn1ccc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 | |
| 4911,CHEMBL5572636,2.3,O=C1C(c2cc(-c3ccccc3C(F)(F)F)no2)=CS(=O)(=O)c2ccccc21 | |
| 1197,CHEMBL2391740,2.4,O=C1OCc2ccc(OCc3ccc(Br)cc3)cc21 | |
| 4354,CHEMBL5177167,2.5,COc1cccc(Cn2ccc3c(N4CCC(O)CC4)nc4ccccc4c32)c1 | |
| 4347,CHEMBL5191709,2.5,COC1CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)C1 | |
| 3988,CHEMBL4206812,2.5,O=C(Nc1cccc(Cl)c1)c1coc2ccccc2c1=O | |
| 993,CHEMBL2151669,2.54,C/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1ccncc1 | |
| 4563,CHEMBL5278614,2.6,COc1ccc2c(c1)O/C(=C\n1ccc3ccccc31)C2=O | |
| 4460,CHEMBL5265848,2.6,COc1ccc2c(c1)O/C(=C\c1cc3ccccc3[nH]1)C2=O | |
| 1388,CHEMBL3121790,2.62,C#CCCCCOc1ccc2ccc(=O)oc2c1 | |
| 3672,CHEMBL4575130,2.65,Cc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 | |
| 4300,CHEMBL5199383,2.7,O=C1CSc2cc(OCc3ccc(Cl)cc3)ccc2N1 | |
| 3165,CHEMBL4439402,2.7,NS(=O)(=O)c1ccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 | |
| 735,CHEMBL1835230,2.73,COc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1OC | |
| 1628,CHEMBL3319246,2.75,O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2[nH]ncc2c1 | |
| 2330,CHEMBL3920226,2.8,CC(=O)c1ccc(OCc2cccc(F)c2)cc1O | |
| 908,CHEMBL2062871,2.8,O=C(O)c1coc2ccc(OCc3cccc(Br)c3)cc2c1=O | |
| 1198,CHEMBL2391739,2.8,O=C1OCc2ccc(OCc3ccc(Cl)cc3)cc21 | |
| 3987,CHEMBL4209203,2.82,Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C | |
| 2176,CHEMBL3770377,2.9,O=C1CCc2ccc(OCc3ccc(Br)cc3)cc2N1 | |
| 2670,CHEMBL3920226,2.9,CC(=O)c1ccc(OCc2cccc(F)c2)cc1O | |
| 3659,CHEMBL1814068,2.9,O=C(Nc1ccc(Cl)cc1)c1coc2ccccc2c1=O | |
| 1290,CHEMBL2430707,2.9,O=C1CCc2ccc(OCc3cccc(Br)c3)cc2N1 | |
| 2513,CHEMBL1814068,2.9,O=C(Nc1ccc(Cl)cc1)c1coc2ccccc2c1=O | |
| 1509,CHEMBL3264960,2.91,C[C@@H]1CC/C(=N/Nc2nc(-c3ccc(F)cc3F)cs2)C1 | |
| 1386,CHEMBL3121792,2.96,C#CCCCCOc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 | |
| 2331,CHEMBL3948027,3.0,CC(=O)c1ccc(OCc2ccc(F)cc2)cc1O | |
| 3559,CHEMBL4460336,3.0,O=C1Nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2C1=O | |
| 2078,CHEMBL3764447,3.0,O=c1oc2cc(OCc3ccc(Cl)cc3)ccc2s1 | |
| 4209,CHEMBL5199917,3.0,Cc1ccccc1OC/C(=C/F)CN | |
| 4210,CHEMBL5197971,3.0,Cl.NCC(=CF)C1Cc2ccccc2O1 | |
| 451,CHEMBL1253680,3.0,Fc1ccc(-c2csc(NN=C3CCCC3)n2)c(F)c1 | |
| 951,CHEMBL2151678,3.01,C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1cccs1 | |
| 4070,CHEMBL4865050,3.1,COc1ccc2c(=O)c(/C=C/c3ccc(F)cc3)coc2c1 | |
| 3982,CHEMBL1470839,3.16,O=C(Nc1ccc(Cl)c(Cl)c1)C1=Cc2ccccc2OC1 | |
| 699,CHEMBL1830829,3.22,NNC(=O)c1cc2ccccc2oc1=O | |
| 738,CHEMBL1835232,3.25,COc1cc(-c2cc3cc(C)ccc3oc2=O)ccc1Br | |
| 3533,CHEMBL4439889,3.27,O=C(Nc1ccc2[nH]ccc2n1)c1ccc(F)c(Cl)c1 | |
| 801,CHEMBL1945155,3.3,O=c1ccoc2ccc(OCc3ccc(Br)cc3)cc12 | |
| 3664,CHEMBL4534643,3.31,CCc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 | |
| 60,CHEMBL109018,3.31,Cc1c(C)c2ccc(OCc3cccc(Cl)c3)cc2oc1=O | |
| 3985,CHEMBL4870887,3.35,Cc1ccc(NC(=O)c2csc3ccccc3c2=O)cc1C | |
| 4468,CHEMBL5275768,3.4,Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 | |
| 4921,CHEMBL5574276,3.4,COc1ccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)cc1 | |
| 4920,CHEMBL5573057,3.4,O=C1C(c2cc(-c3ccc(Cl)cc3)no2)=CS(=O)(=O)c2ccccc21 | |
| 4339,CHEMBL5206513,3.4,Clc1cccc(Cn2ccc3c(NC4CCOCC4)nc4ccccc4c32)c1 | |
| 1623,CHEMBL3319250,3.42,COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl | |
| 1192,CHEMBL2391871,3.5,O=C1OCc2ccc(OCc3cccc(Br)c3)cc21 | |
| 798,CHEMBL1945152,3.6,O=c1ccoc2ccc(OCc3cccc(Cl)c3)cc12 | |
| 37,CHEMBL2094027,3.6,Cl.N[C@H]1C[C@]1(F)c1ccccc1 | |
| 910,CHEMBL2062872,3.7,O=Cc1coc2ccc(OCc3cccc(Br)c3)cc2c1=O | |
| 4273,CHEMBL5178689,3.8,Cc1ccc(COc2ccc3c(c2)C(=O)CCC3)cc1 | |
| 4843,CHEMBL145781,3.8,O=c1ccc2ccc(OCc3ccccc3)cc2o1 | |
| 2599,CHEMBL145781,3.8,O=c1ccc2ccc(OCc3ccccc3)cc2o1 | |
| 317,CHEMBL1213915,3.81,COc1cccc(-c2csc(N/N=C(\C)c3cccnc3)n2)c1 | |
| 3002,CHEMBL972,3.9,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2589,CHEMBL4074532,3.94,COc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1 | |
| 4729,CHEMBL2019154,4.0,COc1ccc(-c2cc3cc(Cl)ccc3oc2=O)cc1 | |
| 427,CHEMBL1253845,4.0,Fc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1 | |
| 2501,CHEMBL4071507,4.0,O=C1COC(c2ccc(/N=N/c3ccccc3)cc2)=NN1 | |
| 917,CHEMBL2062878,4.0,CC(=O)c1ccc(OCc2cccc(Br)c2)cc1O | |
| 4298,CHEMBL5194743,4.0,N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)o[11c]1=O | |
| 4740,CHEMBL5407170,4.0,O=C1CCc2ccc(OCc3ccccc3F)cc2O1 | |
| 2178,CHEMBL2062879,4.0,CC(=O)c1ccc(OCc2ccc(Br)cc2)cc1O | |
| 5146,CHEMBL887,4.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 2077,CHEMBL3763837,4.0,O=c1oc2cc(OCc3cccc(Cl)c3)ccc2s1 | |
| 4206,CHEMBL5198317,4.0,NCC(=CF)COc1ccc(F)cc1 | |
| 3963,CHEMBL4790537,4.0,C#CCN(C)CCCCCOc1ccc2c(c1)OCCC2=O | |
| 1951,CHEMBL887,4.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 447,CHEMBL1253699,4.0,Fc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1 | |
| 4306,CHEMBL5174857,4.1,O=C1CSc2cc(OCc3ccc(Br)cc3)ccc2N1 | |
| 1737,CHEMBL45069,4.1,C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1 | |
| 1579,CHEMBL3360735,4.1,Cc1ccc2oc(=O)c(-c3ccc(N)cc3)cc2c1 | |
| 2582,CHEMBL4060916,4.2,Cc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1 | |
| 2326,CHEMBL325761,4.25,Cc1c(C)c2ccc(OCc3ccc(F)c(F)c3)cc2oc1=O | |
| 1621,CHEMBL3319252,4.36,COc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl | |
| 137,CHEMBL406861,4.4,COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(O)c1 | |
| 4469,CHEMBL887,4.4,C#CCN[C@@H]1CCc2ccccc21 | |
| 4462,CHEMBL5281646,4.4,COc1ccc2c(c1)C/C(=C\c1ccc(Br)o1)C2=O | |
| 59,CHEMBL887,4.4,C#CCN[C@@H]1CCc2ccccc21 | |
| 2,CHEMBL17079,4.4,N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=S | |
| 2006,CHEMBL406861,4.4,COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(O)c1 | |
| 1215,CHEMBL2408569,4.5,CC1CC(=O)c2cnc(Nc3ccc(C#N)cc3)nc2C1 | |
| 1550,CHEMBL3288298,4.5,O=C1CCCc2cc(OCc3cccc(I)c3)ccc21 | |
| 2177,CHEMBL3288299,4.5,O=C1CCCc2cc(OCc3ccc(I)cc3)ccc21 | |
| 3343,CHEMBL4561401,4.5,CCC(C)(C)c1ccc(OCCCN2CCCC2)cc1 | |
| 1007,CHEMBL2158241,4.5,O=C1NC(=O)c2cc(SCc3ccccc3)ccc21 | |
| 1137,CHEMBL2332174,4.51,COc1ccc(C(=O)/C=C/C=C/c2ccc(Cl)cc2)c(O)c1 | |
| 4342,CHEMBL5187034,4.6,Clc1cccc(Cn2ccc3c(NCC4CCOC4)nc4ccccc4c32)c1 | |
| 4412,CHEMBL5220869,4.7,O=c1[nH]c2ccc(OCc3cccc(C(F)(F)F)c3)cc2c(=O)o1 | |
| 3999,CHEMBL4860050,4.7,C#CCNC1CCc2c(SCc3cccc(C(F)(F)F)c3)cccc21 | |
| 1049,CHEMBL2204752,4.8,N#Cc1ccc(OCc2ccc(Br)cc2)cc1C#N | |
| 1707,CHEMBL2204752,4.8,N#Cc1ccc(OCc2ccc(Br)cc2)cc1C#N | |
| 5153,CHEMBL489079,5.0,NC/C(=C/F)CCc1ccc(F)cc1 | |
| 3023,CHEMBL4239843,5.0,C#CCN(C)[C@H](C)Cc1ccc(OCc2ccccc2)cc1 | |
| 4214,CHEMBL5196906,5.0,Cl.NC/C(=C\F)[C@H]1Cc2ccccc2O1 | |
| 2079,CHEMBL3763320,5.0,Cc1ccc(COc2ccc3sc(=O)oc3c2)cc1 | |
| 2369,CHEMBL489079,5.0,NC/C(=C/F)CCc1ccc(F)cc1 | |
| 4340,CHEMBL5199814,5.0,COc1cccc(Cn2ccc3c(NC4CCOCC4)nc4ccccc4c32)c1 | |
| 2324,CHEMBL108697,5.03,Cc1c(C)c2ccc(OCc3cccc(F)c3)cc2oc1=O | |
| 1510,CHEMBL3264959,5.06,C[C@@H]1CC/C(=N\Nc2nc(-c3ccc(F)cc3F)cs2)C1 | |
| 2569,CHEMBL494798,5.07,Cc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3)cc2c1 | |
| 136,CHEMBL139679,5.1,O=C(/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1O | |
| 4916,CHEMBL5595687,5.1,COc1cccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)c1 | |
| 4265,CHEMBL5171059,5.1,C/C(=N\NC(=O)c1cc(-c2ccccc2)on1)c1ccc(C)cc1 | |
| 1600,CHEMBL396778,5.18,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 3431,CHEMBL396778,5.18,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4356,CHEMBL5187539,5.2,CN(CCO)c1nc2ccccc2c2c1ccn2Cc1cccc(Cl)c1 | |
| 2266,CHEMBL3986834,5.2,Cc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1 | |
| 2264,CHEMBL3950873,5.3,O=C1/C(=C/c2ccc(Br)cc2)Cc2cc(O)ccc21 | |
| 2798,CHEMBL4174116,5.3,C/C(=N/Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 | |
| 1511,CHEMBL3350351,5.32,C[C@@H]1CCC(=NNc2nc(-c3ccc(F)cc3F)cs2)C1 | |
| 1619,CHEMBL3319254,5.42,O=C(Nc1cnc(Cl)c(Cl)c1)c1ccc2[nH]ncc2c1 | |
| 1791,CHEMBL3415783,5.5,C#CCN(C)CC(=C)c1cccc(COc2ccc(F)cc2)c1.O=C(O)C(=O)O | |
| 3429,CHEMBL972,5.5,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3536,CHEMBL972,5.5,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1006,CHEMBL2158242,5.6,O=C1NC(=O)c2cc(SCc3ccc(Cl)cc3)ccc21 | |
| 1825,CHEMBL3586611,5.7,CN(Cc1ccc(C#N)cc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1.Cl | |
| 921,CHEMBL2062882,5.7,O=C1CC(O)Oc2ccc(OCc3cccc(Br)c3)cc21 | |
| 2179,CHEMBL2062882,5.7,O=C1CC(O)Oc2ccc(OCc3cccc(Br)c3)cc21 | |
| 3538,CHEMBL3707394,5.9,CC(=O)N[C@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1 | |
| 4055,CHEMBL1241257,5.9,O=c1c(/C=C/c2ccc(Cl)cc2)coc2ccccc12 | |
| 4266,CHEMBL5198727,5.9,COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3)on2)cc1OC | |
| 2572,CHEMBL4076698,5.95,COc1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1 | |
| 1575,CHEMBL3360731,6.0,Cc1ccc2oc(=O)c(-c3cccc([N+](=O)[O-])c3)cc2c1 | |
| 1555,CHEMBL3288303,6.0,O=C1CCCc2cc(OCc3ccc(C(F)(F)F)cc3)ccc21 | |
| 805,CHEMBL1945159,6.0,Cc1ccc(COc2ccc3occc(=O)c3c2)cc1 | |
| 4021,CHEMBL887,6.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 2509,CHEMBL396778,6.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4072,CHEMBL4869187,6.1,COc1ccc2c(=O)c(/C=C/c3ccc(N(C)C)cc3)coc2c1 | |
| 1158,CHEMBL972,6.13,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1331,CHEMBL972,6.13,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1512,CHEMBL3264954,6.16,CC1CCC/C1=N\Nc1nc(-c2ccc(F)cc2F)cs1 | |
| 1187,CHEMBL2391876,6.2,O=C1OCc2ccc(OCCCc3ccccc3)cc21 | |
| 1291,CHEMBL2430706,6.2,O=C1CCc2ccc(OCc3cccc(Cl)c3)cc2N1 | |
| 4278,CHEMBL5178423,6.4,O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CCc2ccc(O)cc21 | |
| 4405,CHEMBL5220277,6.4,Cc1ccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)cc1 | |
| 4484,CHEMBL5178423,6.4,O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CCc2ccc(O)cc21 | |
| 1196,CHEMBL2391741,6.4,O=C1OCc2ccc(OCc3ccc(F)cc3)cc21 | |
| 2321,CHEMBL3938837,6.41,O=C1OCc2cc(OCc3ccc(C(F)(F)F)cc3)ccc21 | |
| 2325,CHEMBL274030,6.48,Cc1c(C)c2ccc(OCc3ccc(Cl)cc3)cc2oc1=O | |
| 1551,CHEMBL3288299,6.5,O=C1CCCc2cc(OCc3ccc(I)cc3)ccc21 | |
| 1601,CHEMBL1200904,6.59,C#CCN(C)[C@H](C)Cc1ccccc1.Cl | |
| 4188,CHEMBL5170163,6.66,C#CC(C)N(C)[C@H](C)Cc1ccccc1 | |
| 31,CHEMBL903,6.7,NNC(N)=O | |
| 4855,CHEMBL5583585,6.7,Cc1c(Cl)c(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12 | |
| 1599,CHEMBL1200904,6.79,C#CCN(C)[C@H](C)Cc1ccccc1.Cl | |
| 4074,CHEMBL4865494,6.8,COc1ccc(/C=C/c2coc3cc(OC)ccc3c2=O)cc1 | |
| 1004,CHEMBL2158244,6.8,O=C1NC(=O)c2cc(SCc3ccc(F)cc3)ccc21 | |
| 3357,CHEMBL972,6.8,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4726,CHEMBL4074532,6.8,COc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1 | |
| 4130,CHEMBL4852596,6.808,O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=S)Nc1ccccc1 | |
| 4404,CHEMBL5218784,6.9,O=c1[nH]c2ccc(OCc3ccc(Br)cc3)cc2c(=O)o1 | |
| 650,CHEMBL1813523,6.9,O=C1NC(=O)c2cc(OCc3ccc(Br)cc3)ccc21 | |
| 4635,CHEMBL972,6.9,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 61,CHEMBL972,7.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1547,CHEMBL3288295,7.0,O=C1CCCc2cc(OCc3ccc(Cl)cc3)ccc21 | |
| 3044,CHEMBL972,7.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4866,CHEMBL5565316,7.0,Cc1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O | |
| 3902,CHEMBL396778,7.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4470,CHEMBL972,7.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1649,CHEMBL3330339,7.0,C[C@]1(N)C[C@@H]1c1ccccc1.O=C(O)C(F)(F)F | |
| 4898,CHEMBL5569489,7.0,CC(=O)c1ccc(OCc2ccccc2)cc1O | |
| 5020,CHEMBL396778,7.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 3283,CHEMBL4558431,7.0,C#CCN1CCC(CCc2ccc(C(C)C)cc2)CC1 | |
| 2510,CHEMBL972,7.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4349,CHEMBL396778,7.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 698,CHEMBL1830814,7.01,CCOC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O | |
| 4129,CHEMBL4871376,7.087,NC(=S)NNC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21 | |
| 2797,CHEMBL4166872,7.2,C/C(=N/Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 | |
| 2313,CHEMBL3288295,7.21,O=C1CCCc2cc(OCc3ccc(Cl)cc3)ccc21 | |
| 3654,CHEMBL4588031,7.3,O=C(Nc1ccc(F)cc1)c1coc2ccccc2c1=O | |
| 1005,CHEMBL2158243,7.4,O=C1NC(=O)c2cc(SCc3ccc(Br)cc3)ccc21 | |
| 1183,CHEMBL2391880,7.4,O=C1OCc2ccc(OCCOc3ccc(F)cc3)cc21 | |
| 2570,CHEMBL494808,7.52,Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1 | |
| 220,CHEMBL92401,7.54,CC(C)NNC(=O)c1ccncc1 | |
| 2114,CHEMBL3770019,7.61,CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 | |
| 1330,CHEMBL396778,7.67,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 1159,CHEMBL396778,7.67,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 3341,CHEMBL396778,7.7,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 2328,CHEMBL887,7.87,C#CCN[C@@H]1CCc2ccccc21 | |
| 4871,CHEMBL5571218,7.9,NS(=O)(=O)c1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 1051,CHEMBL2204753,7.9,N#Cc1ccc(OCc2ccccc2)cc1C#N | |
| 1216,CHEMBL2408565,7.98,Cc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cc1 | |
| 3658,CHEMBL1643124,8.0,Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 | |
| 2335,CHEMBL3770875,8.0,O=c1ccoc2cc(OCc3ccc(C(F)(F)F)cc3)ccc12 | |
| 3894,CHEMBL396778,8.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 2620,CHEMBL972,8.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1545,CHEMBL3288293,8.0,O=C1CCCc2cc(OCc3ccc(F)cc3)ccc21 | |
| 2173,CHEMBL3770875,8.0,O=c1ccoc2cc(OCc3ccc(C(F)(F)F)cc3)ccc12 | |
| 4932,CHEMBL5566805,8.0,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 | |
| 9,CHEMBL16530,8.0,N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)sc1=O | |
| 2512,CHEMBL1814068,8.0,O=C(Nc1ccc(Cl)cc1)c1coc2ccccc2c1=O | |
| 4994,CHEMBL396778,8.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 2462,CHEMBL4089754,8.08,Cn1cc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2n1 | |
| 2323,CHEMBL2430707,8.17,O=C1CCc2ccc(OCc3cccc(Br)c3)cc2N1 | |
| 4161,CHEMBL5082824,8.2,CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 2959,CHEMBL673,8.2,C#CCN(C)Cc1ccccc1 | |
| 4301,CHEMBL5203446,8.2,Cc1ccc(COc2ccc3c(c2)SCC(=O)N3)cc1 | |
| 4719,CHEMBL5437543,8.3,O=C(Nc1ccc(Cl)cc1)c1coc2cccc(O)c2c1=O | |
| 1514,CHEMBL3264952,8.31,CC1CCC/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 | |
| 2319,CHEMBL3929816,8.35,O=C1OCc2cc(OCc3ccc(F)cc3)ccc21 | |
| 803,CHEMBL1945157,8.4,O=c1ccoc2ccc(OCc3ccc(F)cc3)cc12 | |
| 3400,CHEMBL887,8.4,C#CCN[C@@H]1CCc2ccccc21 | |
| 568,CHEMBL452001,8.51,CN(C)c1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 2174,CHEMBL1682819,8.6,O=C1CCOc2cc(OCc3ccc(F)cc3)ccc21 | |
| 2800,CHEMBL4164415,8.6,O=[N+]([O-])c1cccc(-c2csc(NN=C3CCCCCC3)n2)c1 | |
| 4054,CHEMBL4876665,8.6,O=c1c(/C=C/c2ccc(F)cc2)coc2ccccc12 | |
| 572,CHEMBL1077616,8.61,O=C1/C(=C/c2ccc(O)cc2)COc2cc(O)cc(O)c21 | |
| 2051,CHEMBL1682819,8.62,O=C1CCOc2cc(OCc3ccc(F)cc3)ccc21 | |
| 4528,CHEMBL5219522,8.9,Cc1c(Cl)c(=O)oc2cc(OCCCCSC(=S)N3CCCCC3C)ccc12 | |
| 4527,CHEMBL5279129,8.9,Cc1c(Cl)c(=O)oc2cc(OCCCCS(=S)N3CCCCC3C)ccc12 | |
| 734,CHEMBL1783715,8.98,COc1cc(OC)cc(-c2cc3cc(C)ccc3oc2=O)c1 | |
| 582,CHEMBL1783715,8.98,COc1cc(OC)cc(-c2cc3cc(C)ccc3oc2=O)c1 | |
| 1548,CHEMBL3288296,9.0,O=C1CCCc2cc(OCc3cccc(Br)c3)ccc21 | |
| 382,CHEMBL1243026,9.0,C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 | |
| 1597,CHEMBL396778,9.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4207,CHEMBL5201033,9.0,NCC(=CF)COc1ccccc1 | |
| 3702,CHEMBL466872,9.0,O=C1Nc2ccc(/C=C/c3ccccc3)cc2C1=O | |
| 1859,CHEMBL972,9.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1193,CHEMBL2391870,9.0,Cc1ccc(COc2ccc3c(c2)C(=O)OC3)cc1 | |
| 3358,CHEMBL396778,9.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 1,CHEMBL161907,9.0,O=c1c(=O)c2ccc(OCCCC(F)(F)F)cc2c1=O | |
| 526,CHEMBL466872,9.0,O=C1Nc2ccc(/C=C/c3ccccc3)cc2C1=O | |
| 1549,CHEMBL3288297,9.0,O=C1CCCc2cc(OCc3ccc(Br)cc3)ccc21 | |
| 2909,CHEMBL4210083,9.0,Cl.NCCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | |
| 4350,CHEMBL5181534,9.0,Clc1cccc(Cn2ccc3c(N4CC5(COC5)C4)nc4ccccc4c32)c1 | |
| 4358,CHEMBL5200705,9.0,FC1(F)CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)CC1 | |
| 2574,CHEMBL4080704,9.03,COc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3)cc2c1 | |
| 4853,CHEMBL5566534,9.1,NS(=O)(=O)c1ccc(COc2ccc3ccc(=O)oc3c2)cc1 | |
| 1515,CHEMBL3264951,9.13,CC1CCC/C1=N\Nc1nc(-c2ccc(F)cc2)cs1 | |
| 2277,CHEMBL3902894,9.2,COc1ccc2c(c1)C/C(=C\c1ccccc1)C2=O | |
| 1516,CHEMBL3264958,9.34,CC1CC/C(=N\Nc2nc(-c3ccc(F)cc3F)cs2)C1 | |
| 3377,CHEMBL3989843,9.4,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 2107,CHEMBL3770489,9.46,CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)OC1c1ccc(Cl)c(Cl)c1 | |
| 700,CHEMBL1830817,9.47,CCOC(=O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O | |
| 4302,CHEMBL5174014,9.6,N#Cc1ccc(COc2ccc3c(c2)SCC(=O)N3)cc1 | |
| 1254,CHEMBL2417762,9.6,Cc1ccc(C2CC(c3ccccc3)=NN2C)cc1 | |
| 78,CHEMBL453703,9.8,C[C@@H]1CCCC/C1=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 | |
| 1160,CHEMBL2382426,9.8,Cc1sc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1C | |
| 2453,CHEMBL887,9.97,C#CCN[C@@H]1CCc2ccccc21 | |
| 4163,CHEMBL3586771,10.0,CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 4569,CHEMBL445285,10.0,COc1ccc(/C(=C\F)CN)cc1OC | |
| 4761,CHEMBL5397811,10.0,Cc1ncc(/C=C/c2ccc(O)cc2)c2c1OC(C)(C)OC2 | |
| 844,CHEMBL2029537,10.0,NC/C=C(/F)COc1ccc([N+](=O)[O-])cc1 | |
| 4760,CHEMBL2088271,10.0,Cc1c(/N=C/c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C | |
| 407,CHEMBL1243026,10.0,C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 | |
| 4269,CHEMBL3586608,10.0,CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1.Cl | |
| 4762,CHEMBL5422035,10.0,C#CCN(C)c1ccc(/C=C/c2cnc(C)c3c2COC(C)(C)O3)cc1 | |
| 1823,CHEMBL3586608,10.0,CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1.Cl | |
| 857,CHEMBL489079,10.0,NC/C(=C/F)CCc1ccc(F)cc1 | |
| 2853,CHEMBL887,10.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4945,CHEMBL3586771,10.0,CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 4162,CHEMBL5090153,10.0,CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(F)c1 | |
| 2799,CHEMBL4163420,10.0,O=[N+]([O-])c1cccc(-c2csc(NN=C3CCCCCCC3)n2)c1 | |
| 1638,CHEMBL3330328,10.0,C[C@@]1(N)C[C@H]1c1ccccc1.Cl | |
| 3984,CHEMBL4870855,10.2,O=C(Nc1cccc(Cl)c1)c1cc2ccccc2oc1=O | |
| 2062,CHEMBL3741461,10.26,CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O1 | |
| 4725,CHEMBL4078090,10.3,COc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1 | |
| 2592,CHEMBL4078090,10.31,COc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1 | |
| 2298,CHEMBL3771110,10.52,CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 | |
| 2254,CHEMBL3804967,10.58,CN(C)c1ncc(/C=C2\COc3cc(Cl)cc(Cl)c3C2=O)cn1 | |
| 3534,CHEMBL4450144,10.9,O=C(Nc1ccc2[nH]ccc2n1)c1ccc(Cl)c(F)c1 | |
| 3292,CHEMBL4465204,10.9,C#CCN1CCC(CCc2ccc(C(F)(F)F)cc2)CC1 | |
| 1554,CHEMBL3288302,11.0,N#Cc1ccc(COc2ccc3c(c2)CCCC3=O)cc1 | |
| 4820,CHEMBL5566757,11.0,O=C(NC1CCCCC1)c1nc2ccc(O)cc2s1 | |
| 1552,CHEMBL3288300,11.0,Cc1ccc(COc2ccc3c(c2)CCCC3=O)cc1 | |
| 4355,CHEMBL5201892,11.0,OC1CCCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)C1 | |
| 918,CHEMBL2062879,11.0,CC(=O)c1ccc(OCc2ccc(Br)cc2)cc1O | |
| 2895,CHEMBL972,11.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 422,CHEMBL1253926,11.0,O=[N+]([O-])c1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1 | |
| 1185,CHEMBL2391878,11.0,O=C1OCc2ccc(OCCOc3ccc(Cl)cc3)cc21 | |
| 4343,CHEMBL5189255,11.0,COC1CCN(c2nc3ccccc3c3c2ccn3Cc2ccccc2)CC1 | |
| 4408,CHEMBL5220071,11.0,O=c1[nH]c2ccc(OCc3cccc(Br)c3)cc2c(=O)o1 | |
| 2172,CHEMBL45069,11.0,C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1 | |
| 4132,CHEMBL4878125,11.01,O=c1c(Cc2ccccc2)nc2ccccc2n1CC(O)CO | |
| 2566,CHEMBL494800,11.08,Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3)cc2c1 | |
| 1176,CHEMBL2382428,11.2,O=C(CCc1ccccc1F)Nc1nc2ccccc2c(=O)s1 | |
| 4870,CHEMBL5568690,11.2,Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12 | |
| 4867,CHEMBL5570880,11.2,NS(=O)(=O)c1ccc(COc2ccc3c(Cl)cc(=O)oc3c2)cc1 | |
| 4131,CHEMBL4862110,11.21,CCOC(=O)NNC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21 | |
| 4907,CHEMBL5567290,11.3,O=c1c(-c2cc(-c3ccc(C(F)(F)F)cc3)no2)csc2ccccc12 | |
| 1136,CHEMBL2332175,11.35,O=C(/C=C/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1O | |
| 4577,CHEMBL2332175,11.35,O=C(/C=C/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1O | |
| 3655,CHEMBL1643121,11.43,O=C(Nc1ccc(I)cc1)c1coc2ccccc2c1=O | |
| 3803,CHEMBL887,11.6,C#CCN[C@@H]1CCc2ccccc21 | |
| 2121,CHEMBL3771110,11.7,CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 | |
| 4546,CHEMBL5269376,11.97,Cc1ccc(C2=NOC(c3ccc(Cl)c(Cl)c3)C2)cc1 | |
| 4152,CHEMBL5083014,12.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4cccc(F)c4)C3)cc2oc1=O | |
| 4900,CHEMBL5269376,12.0,Cc1ccc(C2=NOC(c3ccc(Cl)c(Cl)c3)C2)cc1 | |
| 1184,CHEMBL2391879,12.0,O=C1OCc2ccc(OCCOc3ccc(Br)cc3)cc21 | |
| 38,CHEMBL51601,12.0,NCC1(c2ccccc2)CC1F | |
| 2502,CHEMBL4090821,12.0,O=C1COC(c2ccc(/N=N/c3cccc(F)c3)cc2)=NN1 | |
| 1182,CHEMBL2391881,12.0,O=C1OCc2ccc(OCC3CCCCC3)cc21 | |
| 3191,CHEMBL4582038,12.0,Clc1ccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1Cl | |
| 2810,CHEMBL4172739,12.0,C/C(CC(C)C)=N/Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 3309,CHEMBL972,12.1,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 308,CHEMBL1213838,12.22,COc1cccc(-c2csc(N/N=C3\CCCCC3C)n2)c1 | |
| 2308,CHEMBL1682819,12.34,O=C1CCOc2cc(OCc3ccc(F)cc3)ccc21 | |
| 1636,CHEMBL3319242,12.4,O=C(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1 | |
| 2312,CHEMBL3288293,12.55,O=C1CCCc2cc(OCc3ccc(F)cc3)ccc21 | |
| 2310,CHEMBL3741461,12.85,CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O1 | |
| 2137,CHEMBL3770015,12.9,CC(=O)c1ccc(OCc2ccc(F)cc2)cc1 | |
| 952,CHEMBL2151679,12.96,C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1nccs1 | |
| 4357,CHEMBL5192912,13.0,Clc1cccc(Cn2ccc3c(N4CCCCC4)nc4ccccc4c32)c1 | |
| 2605,CHEMBL4060398,13.0,Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 | |
| 2263,CHEMBL3979091,13.0,O=C1/C(=C/c2cccc(Br)c2)Cc2cc(O)ccc21 | |
| 4208,CHEMBL5194056,13.0,NC/C(=C\F)COc1ccccc1 | |
| 1302,CHEMBL972,13.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4277,CHEMBL5182438,13.0,O=C1/C(=C/c2cccc(Br)c2)CCc2ccc(O)cc21 | |
| 836,CHEMBL972,13.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2262,CHEMBL3907033,13.0,O=C1/C(=C/c2ccc(Cl)cc2)Cc2cc(O)ccc21 | |
| 4185,CHEMBL1940390,13.0,O=C(/C=C/c1ccc(O)cc1)OCCc1ccccc1 | |
| 1206,CHEMBL2409540,13.0,C/C(=N/Nc1nc(-c2ccccc2)cs1)c1ccncc1 | |
| 4716,CHEMBL5403995,13.0,O=C(Nc1ccccc1)c1coc2cccc(O)c2c1=O | |
| 3537,CHEMBL887,13.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 802,CHEMBL1945156,13.0,O=c1ccoc2ccc(OCc3cccc(F)c3)cc12 | |
| 3430,CHEMBL887,13.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 575,CHEMBL1766551,13.03,O=C1/C(=C/c2ccc(Cl)cc2)COc2cc(Cl)cc(Cl)c21 | |
| 217,CHEMBL572233,13.05,COc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1 | |
| 581,CHEMBL572233,13.05,COc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1 | |
| 732,CHEMBL572233,13.05,COc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1 | |
| 982,CHEMBL2151562,13.12,C/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccncc1 | |
| 2306,CHEMBL3919232,13.25,CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1F | |
| 1381,CHEMBL3121862,13.5,CC(=O)Nc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O | |
| 2320,CHEMBL3910900,13.87,O=C1OCc2cc(OCc3ccc(Cl)cc3)ccc21 | |
| 2567,CHEMBL522532,13.9,Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1 | |
| 42,CHEMBL1235738,14.0,C#CCN[C@H]1CCc2ccccc21 | |
| 414,CHEMBL1240558,14.0,CC1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2F)cs1 | |
| 4411,CHEMBL5220349,14.0,O=c1[nH]c2ccc(OCc3cccc(I)c3)cc2c(=O)o1 | |
| 41,CHEMBL887,14.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 2269,CHEMBL3928890,14.0,O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Cc2cc(O)ccc21 | |
| 1008,CHEMBL887,14.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4649,CHEMBL5414700,14.0,Oc1cc(OCc2ccc(F)cc2)ccc1CNc1ccccc1 | |
| 1598,CHEMBL1201142,14.0,C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O | |
| 1494,CHEMBL887,14.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 5061,CHEMBL396778,14.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 1073,CHEMBL2204756,14.0,N#Cc1ccc(SCc2ccc(Cl)cc2)cc1C#N | |
| 376,CHEMBL1240558,14.0,CC1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2F)cs1 | |
| 2511,CHEMBL887,14.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 3359,CHEMBL887,14.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 71,CHEMBL498505,14.2,CC1CCCC/C1=N/Nc1nc(-c2ccc(F)cc2F)cs1 | |
| 2322,CHEMBL2430706,14.27,O=C1CCc2ccc(OCc3cccc(Cl)c3)cc2N1 | |
| 4702,CHEMBL5429656,14.3,O=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(O)ccc2o1 | |
| 3497,CHEMBL4561787,14.7,Cc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cccc(F)c3)cc2oc1=O | |
| 547,CHEMBL972,14.8,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4852,CHEMBL5572513,14.9,COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3F)c(=O)oc2c1 | |
| 4948,CHEMBL5590122,15.0,CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccsc1 | |
| 1546,CHEMBL3288294,15.0,O=C1CCCc2cc(OCc3cccc(Cl)c3)ccc21 | |
| 4425,CHEMBL5281335,15.0,COc1ccc2c(=O)c(N3CCN(c4ccccc4)CC3)coc2c1 | |
| 997,CHEMBL2158251,15.0,CC(C)CCSc1ccc2c(c1)C(=O)NC2=O | |
| 4406,CHEMBL5219594,15.0,O=c1[nH]c2ccc(OCc3ccc(F)cc3)cc2c(=O)o1 | |
| 4418,CHEMBL5281335,15.0,COc1ccc2c(=O)c(N3CCN(c4ccccc4)CC3)coc2c1 | |
| 2929,CHEMBL279390,15.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 731,CHEMBL1835229,15.01,Cc1cccc(-c2cc3cc(C)ccc3oc2=O)c1 | |
| 2571,CHEMBL495466,15.32,Cc1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1 | |
| 4721,CHEMBL5431945,15.4,Cc1ccc(NC(=O)c2coc3cccc(O)c3c2=O)cc1C | |
| 4348,CHEMBL887,15.4,C#CCN[C@@H]1CCc2ccccc21 | |
| 3901,CHEMBL887,15.4,C#CCN[C@@H]1CCc2ccccc21 | |
| 2329,CHEMBL3770015,15.48,CC(=O)c1ccc(OCc2ccc(F)cc2)cc1 | |
| 986,CHEMBL2151662,15.49,C/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1cccs1 | |
| 2318,CHEMBL1945157,15.62,O=c1ccoc2ccc(OCc3ccc(F)cc3)cc12 | |
| 4717,CHEMBL5416761,15.7,Cc1ccc(NC(=O)c2coc3cccc(O)c3c2=O)cc1 | |
| 1882,CHEMBL1339821,16.0,COc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1 | |
| 4351,CHEMBL5173511,16.0,c1ccc(Cn2ccc3c(N4CCC5(COC5)C4)nc4ccccc4c32)cc1 | |
| 4069,CHEMBL4876842,16.0,COc1ccc2c(=O)c(/C=C/c3ccccc3)coc2c1 | |
| 4346,CHEMBL5188859,16.0,COC1CCCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)C1 | |
| 425,CHEMBL1253847,16.0,Fc1ccc(-c2csc(NN=C3CCCCCC3)n2)c(F)c1 | |
| 383,CHEMBL1243371,16.0,C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 | |
| 2891,CHEMBL3707394,16.0,CC(=O)N[C@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1 | |
| 12,CHEMBL16623,16.0,N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)sc1=S | |
| 5029,CHEMBL5639910,16.0,COc1cc(F)c2c(=O)cc(-c3ccc(OCC(C)C)cc3)oc2c1 | |
| 2119,CHEMBL3770333,16.5,CC(=O)c1cccc(OCc2ccc(Br)cc2)c1 | |
| 950,CHEMBL2151677,16.58,Fc1ccc(-c2csc(N/N=C\c3cccs3)n2)c(F)c1 | |
| 79,CHEMBL498694,16.58,C[C@H]1CCCC/C1=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 | |
| 957,CHEMBL2151685,16.68,C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1ccncc1 | |
| 2578,CHEMBL972,16.73,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3676,CHEMBL16857,16.73,C#CCN(C)[C@@H](C)Cc1ccccc1 | |
| 1544,CHEMBL3288292,17.0,O=C1CCCc2cc(OCc3cccc(F)c3)ccc21 | |
| 2333,CHEMBL3892863,17.0,O=c1ccoc2cc(OCc3cccc(Cl)c3)ccc12 | |
| 4770,CHEMBL5277689,17.0,COc1ccc2oc(/C=C/c3ccc(Cl)cc3)cc(=O)c2c1 | |
| 749,CHEMBL972,17.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 783,CHEMBL972,17.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2976,CHEMBL972,17.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 5037,CHEMBL5647252,17.0,CC(C)Oc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1 | |
| 5019,CHEMBL887,17.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 408,CHEMBL1243371,17.0,C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 | |
| 646,CHEMBL1813519,17.0,O=C1NC(=O)c2cc(OCCc3ccccc3)ccc21 | |
| 607,CHEMBL972,17.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4366,CHEMBL5200705,17.0,FC1(F)CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)CC1 | |
| 4771,CHEMBL3408911,17.0,O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1 | |
| 3103,CHEMBL972,17.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3120,CHEMBL972,17.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3095,CHEMBL972,17.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 512,CHEMBL972,17.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1701,CHEMBL3398531,17.0,Cc1ccc(-c2[nH]c3cc(C#N)c(C#N)cc3c2Cl)cc1 | |
| 1030,CHEMBL2206095,17.0,Cn1c(=O)c2c(nc(SCCc3cccc(C(F)(F)F)c3)n2C)n(C)c1=O | |
| 3942,CHEMBL16857,17.0,C#CCN(C)[C@@H](C)Cc1ccccc1 | |
| 1820,CHEMBL3586603,17.0,Cc1cc2ccc(OCc3ccc(CN(C)Cc4ccc(C#N)cc4)cc3)cc2oc1=O.Cl | |
| 2284,CHEMBL972,17.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4947,CHEMBL5568861,17.0,CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccco1 | |
| 2892,CHEMBL396778,17.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 298,CHEMBL972,17.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 724,CHEMBL1835223,17.05,COc1ccc2oc(=O)c(-c3cccc(C)c3)cc2c1 | |
| 2581,CHEMBL4094520,17.1,Cc1cccc(NC(=O)c2coc3ccc(C)cc3c2=O)c1 | |
| 1178,CHEMBL2380385,17.6,O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1 | |
| 3736,CHEMBL26138,17.8,Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O | |
| 1364,CHEMBL26138,17.8,Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O | |
| 3685,CHEMBL972,18.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 354,CHEMBL1243088,18.0,C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc(F)cc3F)cs2)C1 | |
| 0,CHEMBL350093,18.0,N#CCCN1CC(=O)OC(c2ccc(OCc3ccccc3)cc2)=N1 | |
| 1816,CHEMBL3586583,18.0,CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1.Cl | |
| 1186,CHEMBL2391877,18.0,O=C1OCc2ccc(OCCOc3ccccc3)cc21 | |
| 2607,CHEMBL4069084,18.0,Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3Br)ccc12 | |
| 3317,CHEMBL396778,18.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4170,CHEMBL396778,18.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4409,CHEMBL5219611,18.0,COc1cccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)c1 | |
| 1179,CHEMBL26138,18.1,Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O | |
| 1735,CHEMBL972,18.2,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1394,CHEMBL3121783,18.2,C#CCCCOc1ccc2c(C)cc(=O)oc2c1 | |
| 955,CHEMBL2151683,18.4,C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1cccnc1 | |
| 1009,CHEMBL972,18.5,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4908,CHEMBL5572200,18.5,COc1ccc(-c2cc(-c3csc4ccccc4c3=O)[nH]n2)cc1 | |
| 1837,CHEMBL972,18.5,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3291,CHEMBL4458212,18.6,C#CCN1CCC(/C=C/c2ccc(C(F)(F)F)cc2)CC1 | |
| 3983,CHEMBL471221,18.8,Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C | |
| 2577,CHEMBL4089520,18.9,COc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3)cc2c1 | |
| 4951,CHEMBL5591982,19.0,CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cscn1 | |
| 263,CHEMBL972,19.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 775,CHEMBL972,19.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1035,CHEMBL2206090,19.0,Cn1c(=O)c2c(nc(SCCc3ccc(C(F)(F)F)cc3)n2C)n(C)c1=O | |
| 4464,CHEMBL5284634,19.0,COc1ccc2c(=O)cc(-n3cncn3)oc2c1 | |
| 804,CHEMBL1945158,19.0,Cc1cccc(COc2ccc3occc(=O)c3c2)c1 | |
| 4419,CHEMBL5284634,19.0,COc1ccc2c(=O)cc(-n3cncn3)oc2c1 | |
| 4955,CHEMBL5563417,19.0,CN(CCc1cccs1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 5054,CHEMBL5647096,19.0,CCCOc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1 | |
| 1037,CHEMBL2206108,19.0,Cn1c(=O)c2c(nc(SCCc3ccc(Br)cc3)n2C)n(C)c1=O | |
| 4144,CHEMBL5083414,19.0,NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 | |
| 2111,CHEMBL8663,19.0,C#CCN(C)C(C)Cc1ccccc1 | |
| 3342,CHEMBL4173079,19.0,CCC(C)(C)c1ccc(OCCCN2CCCCC2)cc1 | |
| 2105,CHEMBL3770842,19.35,CC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(Cl)c(Cl)c1 | |
| 2576,CHEMBL4099648,19.43,COc1ccc2oc(=O)c(C(=O)Nc3ccc(C)cc3)cc2c1 | |
| 1484,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1124,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 589,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 584,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 744,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2738,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 174,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 467,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1580,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2770,CHEMBL8663,19.6,C#CCN(C)C(C)Cc1ccccc1 | |
| 1518,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 701,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2245,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 963,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2638,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 65,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2795,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1233,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 556,CHEMBL972,19.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2842,CHEMBL4177176,20.0,C#CCNC1CCc2c(OCCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)cccc21 | |
| 4956,CHEMBL5569594,20.0,CN(CCc1ccsc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 1702,CHEMBL3398530,20.0,COc1ccc(-c2[nH]c3cc(C#N)c(C#N)cc3c2Cl)cc1 | |
| 1038,CHEMBL2206107,20.0,Cn1c(=O)c2c(nc(SCCc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 17,CHEMBL161896,20.0,COCC(COc1ccc(OCc2cccc(C(F)(F)F)c2)cc1C(C)=O)C(=O)OC | |
| 4297,CHEMBL279390,20.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 4304,CHEMBL5194774,20.0,O=C1CSc2cc(OCCCc3ccccc3)ccc2N1 | |
| 4202,CHEMBL972,20.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3056,CHEMBL972,20.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4742,CHEMBL5434514,20.0,Br.CCOC(=O)C(C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)[n+]1ccc2ccccc2c1 | |
| 2292,CHEMBL972,20.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 30,CHEMBL299655,20.0,NNC(=O)C1(c2ccccc2)CC1F | |
| 139,CHEMBL972,20.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2294,CHEMBL972,20.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4741,CHEMBL1288972,20.0,O=C(/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 | |
| 4763,CHEMBL5425678,20.0,Cc1ncc(/C=C/c2ccc(N3CCN(C)CC3)cc2)c2c1OC(C)(C)OC2 | |
| 4407,CHEMBL5218762,20.0,O=c1[nH]c2ccc(OCc3ccc4ccccc4c3)cc2c(=O)o1 | |
| 1911,CHEMBL3687959,20.0,C#CCN(C)CCc1ccc(O)c2ncccc12 | |
| 3344,CHEMBL4435585,20.0,CCC(C)(C)c1ccc(OCCCN2CCCCC2C)cc1 | |
| 1003,CHEMBL2158245,20.0,COc1ccc(CSc2ccc3c(c2)C(=O)NC3=O)cc1 | |
| 1151,CHEMBL972,20.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 134,CHEMBL972,20.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2758,CHEMBL4176042,20.0,CCc1ccc(NC(=S)N/N=C/c2ccc(-n3nc4c(c3-c3ccccc3)N(C)S(=O)(=O)c3ccccc3-4)cc2)cc1 | |
| 5030,CHEMBL5647379,20.0,CCCOc1ccc(-c2cc(=O)c3c(OC)cc(F)cc3o2)cc1 | |
| 5148,CHEMBL3687959,20.0,C#CCN(C)CCc1ccc(O)c2ncccc12 | |
| 367,CHEMBL972,20.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 373,CHEMBL1242938,20.0,C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2)cs1 | |
| 402,CHEMBL972,20.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3967,CHEMBL4778143,20.42,C#CCN(C)CCCCCCOc1ccc(C(C)=O)cc1 | |
| 796,CHEMBL1945150,21.0,O=c1ccoc2ccc(OCCc3ccccc3)cc12 | |
| 4952,CHEMBL5565956,21.0,CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccnc1 | |
| 4654,CHEMBL5415223,21.0,Oc1cc(OCc2ccc(F)c(F)c2)ccc1CNc1ccccc1 | |
| 3857,CHEMBL4747396,21.0,NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1 | |
| 4933,CHEMBL5570293,21.0,O=C(Nc1ccc(Cl)c(Br)c1)c1ccc2c(c1)OCCO2 | |
| 3001,CHEMBL396778,21.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4076,CHEMBL4877717,21.0,COc1ccc2c(=O)c(/C=C/c3cc(OC)c(OC)c(OC)c3)coc2c1 | |
| 4052,CHEMBL8706,21.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3287,CHEMBL4544548,21.2,C#CCN1CCC(/C=C/c2ccc(Br)cc2)CC1 | |
| 2116,CHEMBL3770421,21.2,CC(=O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1 | |
| 2580,CHEMBL4073128,21.35,Cc1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 | |
| 702,CHEMBL1830818,21.47,CCOC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O | |
| 2132,CHEMBL3771258,21.5,CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1 | |
| 2055,CHEMBL3741156,21.56,O=C1CCOc2cc(OCc3ccc(Br)cc3)ccc21 | |
| 2588,CHEMBL4072004,21.8,COc1ccc2occ(C(=O)Nc3cccc(C)c3)c(=O)c2c1 | |
| 2505,CHEMBL4104933,22.0,O=C1COC(c2ccc(/C=C/c3cccc(F)c3)cc2)=NN1 | |
| 416,CHEMBL1242938,22.0,C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2)cs1 | |
| 807,CHEMBL1945271,22.0,N#Cc1ccc(COc2ccc3occc(=O)c3c2)cc1 | |
| 4949,CHEMBL5595836,22.0,CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ncc[nH]1 | |
| 3345,CHEMBL4449671,22.0,CCC(C)(C)c1ccc(OCCCN2C(C)CCCC2C)cc1 | |
| 82,CHEMBL524447,22.01,C[C@@H]1CCCC/C1=N/Nc1nc(-c2ccc(F)cc2)cs1 | |
| 4915,CHEMBL5542744,22.6,O=C1C(c2cc(-c3cccc(Cl)c3)no2)=CS(=O)(=O)c2ccccc21 | |
| 3101,CHEMBL396778,23.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4271,CHEMBL4571763,23.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccccc4)C3)cc2oc1=O | |
| 1033,CHEMBL2206092,23.0,COc1ccc(CCSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 | |
| 3933,CHEMBL887,23.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 3604,CHEMBL4571763,23.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccccc4)C3)cc2oc1=O | |
| 4779,CHEMBL396778,23.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 2594,CHEMBL396778,23.07,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 3678,CHEMBL396778,23.07,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 3241,CHEMBL396778,23.1,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4923,CHEMBL396778,23.6,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 1824,CHEMBL3586610,24.0,CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1.Cl | |
| 1822,CHEMBL3586605,24.0,Cc1c(C)c2ccc(OCc3ccc(CN(C)Cc4ccc(C#N)cc4)cc3)cc2oc1=O.Cl | |
| 4303,CHEMBL5175823,24.0,O=C1CSc2cc(OCC3CCCCC3)ccc2N1 | |
| 1199,CHEMBL144898,24.0,O=C1OCc2ccc(OCc3ccccc3)cc21 | |
| 3662,CHEMBL4569249,24.0,C#Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 | |
| 3025,CHEMBL396778,24.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4759,CHEMBL3622549,24.0,COc1cccc(-c2cc3cc([N+](=O)[O-])ccc3o2)c1 | |
| 4758,CHEMBL5402309,24.0,C/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 | |
| 989,CHEMBL2151665,24.31,C/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1ccccn1 | |
| 1389,CHEMBL3121789,24.7,C#CCCCCOc1ccc2oc(=O)c(NC(C)=O)cc2c1 | |
| 1072,CHEMBL2204757,25.0,N#Cc1ccc(SCc2ccc(Br)cc2)cc1C#N | |
| 4797,CHEMBL5542906,25.0,O=C(NCc1cccc(F)c1F)c1nc2ccc(O)cc2s1 | |
| 3893,CHEMBL887,25.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 2334,CHEMBL3927065,25.0,O=c1ccoc2cc(OCc3ccc(F)cc3)ccc12 | |
| 3340,CHEMBL887,25.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4995,CHEMBL887,25.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4720,CHEMBL5431507,25.0,O=C(Nc1cccc(Cl)c1)c1coc2cccc(O)c2c1=O | |
| 2503,CHEMBL4062892,25.0,Cc1cccc(/N=N/c2ccc(C3=NNC(=O)CO3)cc2)c1 | |
| 4899,CHEMBL396778,25.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 2302,CHEMBL3911291,25.12,CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O | |
| 3990,CHEMBL396778,25.3,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 2317,CHEMBL1945153,25.31,O=c1ccoc2ccc(OCc3ccc(Cl)cc3)cc12 | |
| 2297,CHEMBL3771258,25.32,CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1 | |
| 719,CHEMBL1830144,26.0,O=C(/C=C/c1ccc(O)cc1)Nc1cccc(Br)c1 | |
| 4212,CHEMBL5186898,26.0,Cl.NC/C(=C/F)[C@H]1Cc2ccccc2O1 | |
| 4942,CHEMBL5573998,26.0,O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(F)c(Br)c1 | |
| 406,CHEMBL1243399,26.0,CC1CCCC/C1=N\Nc1nc(-c2ccc(C#N)cc2)cs1 | |
| 1801,CHEMBL3415820,26.0,C#CCN(C)CC(=C)c1ccc(F)c(Cl)c1.O=C(O)C(=O)O | |
| 384,CHEMBL1243399,26.0,CC1CCCC/C1=N\Nc1nc(-c2ccc(C#N)cc2)cs1 | |
| 3608,CHEMBL4460538,26.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4cccc(Br)c4)C3)cc2oc1=O | |
| 3859,CHEMBL4749026,26.0,NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1F | |
| 4461,CHEMBL5280274,26.0,COc1ccc2c(c1)C/C(=C\c1ccc(C)o1)C2=O | |
| 5031,CHEMBL5646540,26.0,COc1cc(F)cc2oc(-c3ccc(OC(C)C)cc3)cc(=O)c12 | |
| 67,CHEMBL498683,26.23,CC1CCCC/C1=N/Nc1nc(-c2ccc(C#N)cc2)cs1 | |
| 3980,CHEMBL4852188,26.4,O=C(Nc1cccc(Cl)c1)C1=Cc2ccccc2OC1 | |
| 3663,CHEMBL4543842,26.45,C=Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 | |
| 1116,CHEMBL2332173,26.46,O=C(/C=C(O)/C=C/c1ccc(O)cc1)c1ccccc1O | |
| 1230,CHEMBL2418211,26.5,Fc1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1 | |
| 305,CHEMBL1213718,26.64,COc1cccc(-c2csc(N/N=C3\CCCC3C)n2)c1 | |
| 981,CHEMBL2151558,26.67,C/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccn1 | |
| 4917,CHEMBL5571892,26.8,Cc1ccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)cc1 | |
| 429,CHEMBL248050,27.0,c1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1 | |
| 5060,CHEMBL8663,27.0,C#CCN(C)C(C)Cc1ccccc1 | |
| 809,CHEMBL1945273,27.0,O=c1ccoc2ccc(OCCc3ccc(Br)cc3)cc12 | |
| 834,CHEMBL2023193,27.0,C#CCN[C@H]1c2ccccc2C[C@@H]1[18F] | |
| 2957,CHEMBL4215298,27.0,C#CCN(C)CCCCOc1ccc2ccc(=O)oc2c1 | |
| 4370,CHEMBL1190983,27.0,C#CCN(C)C1CCc2c(OC(=O)N(C)CC)cccc21 | |
| 5059,CHEMBL5641666,27.0,CC(C)COc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1 | |
| 4053,CHEMBL1241163,27.0,O=c1c(/C=C/c2ccccc2)coc2ccccc12 | |
| 1300,CHEMBL2023192,27.0,C#CCN[C@H]1c2ccccc2C[C@@H]1F | |
| 2136,CHEMBL3770562,27.3,CC(=O)c1ccc(OCc2ccc(F)cc2F)cc1 | |
| 5322,CHEMBL5747851,27.5,O=C(Nc1ccc2c(ccn2C(=O)c2ccc(Cl)c(F)c2)n1)c1ccc(Cl)c(F)c1 | |
| 2316,CHEMBL3770875,27.82,O=c1ccoc2cc(OCc3ccc(C(F)(F)F)cc3)ccc12 | |
| 4267,CHEMBL5175916,28.0,Cn1ccc2cc(-c3nc4ccc(F)cc4s3)ccc21 | |
| 4541,CHEMBL5286562,28.0,Cn1ccc2cc(C(=S)Nc3ccc(F)cc3)ccc21 | |
| 4530,CHEMBL5267475,28.0,CN1CCN(c2ccc(/C=N/Nc3ccccc3)cc2)CC1 | |
| 4788,CHEMBL5175916,28.0,Cn1ccc2cc(-c3nc4ccc(F)cc4s3)ccc21 | |
| 3849,CHEMBL4750661,28.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1Cl)C(N)=O | |
| 4443,CHEMBL5271027,28.0,CC/C(C)=N/Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 | |
| 4629,CHEMBL396778,28.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4063,CHEMBL4877743,28.0,COc1ccc2occ(/C=C/c3ccc(Cl)cc3)c(=O)c2c1 | |
| 4458,CHEMBL5269769,28.0,COc1ccc(/C=C/C(=N/Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)c2ccc(OC)cc2)cc1 | |
| 3337,CHEMBL396778,28.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 3489,CHEMBL887,28.1,C#CCN[C@@H]1CCc2ccccc21 | |
| 4113,CHEMBL887,28.1,C#CCN[C@@H]1CCc2ccccc21 | |
| 3226,CHEMBL887,28.1,C#CCN[C@@H]1CCc2ccccc21 | |
| 2932,CHEMBL887,28.1,C#CCN[C@@H]1CCc2ccccc21 | |
| 4709,CHEMBL5422519,28.4,COc1ccc2occ(C(=O)Nc3ccc(C)c(C)c3)c(=O)c2c1 | |
| 2301,CHEMBL3948027,28.42,CC(=O)c1ccc(OCc2ccc(F)cc2)cc1O | |
| 5323,CHEMBL4467747,28.5,O=C(Nc1cc2cc[nH]c2cn1)c1ccc(Cl)c(Cl)c1 | |
| 4128,CHEMBL3408913,28.64,Cc1ccc(C(=O)NNC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1 | |
| 3528,CHEMBL4467747,28.9,O=C(Nc1cc2cc[nH]c2cn1)c1ccc(Cl)c(Cl)c1 | |
| 1814,CHEMBL3586577,29.0,Cc1c(C)c2ccc(OCCCCCNCc3ccccc3)cc2oc1=O.Cl | |
| 4058,CHEMBL4862167,29.0,COc1ccc(/C=C/c2coc3ccccc3c2=O)cc1 | |
| 3321,CHEMBL4580662,29.0,Cc1c(C)c2ccc(OCC3CCN(Cc4ccc(CO)cc4)CC3)cc2oc1=O | |
| 4826,CHEMBL396778,29.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4442,CHEMBL106771,29.0,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 | |
| 4195,CHEMBL396778,29.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 3925,CHEMBL396778,29.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4704,CHEMBL5417198,29.1,Cc1ccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)cc1C | |
| 311,CHEMBL1213841,29.54,COc1cccc(-c2csc(NN=C3CCCCCC3)n2)c1 | |
| 4714,CHEMBL5404200,29.8,O=C(Nc1cccc(Cl)c1)c1coc2ccc(O)cc2c1=O | |
| 999,CHEMBL2158249,30.0,O=C1NC(=O)c2cc(SCCc3ccccc3)ccc21 | |
| 840,CHEMBL2029533,30.0,NC/C=C(/F)COc1cccc(Cl)c1 | |
| 4148,CHEMBL5077617,30.0,NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F | |
| 1976,CHEMBL3687958,30.0,C#CCN(C)Cc1ccc(OC)c2ncccc12 | |
| 2261,CHEMBL3924440,30.0,O=C1/C(=C/c2cccc(Cl)c2)Cc2cc(O)ccc21 | |
| 4270,CHEMBL4456665,30.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccccc4)C3)cc2oc1=O.Cl | |
| 5150,CHEMBL3687958,30.0,C#CCN(C)Cc1ccc(OC)c2ncccc12 | |
| 377,CHEMBL1242991,30.0,C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2F)cs1 | |
| 3603,CHEMBL4456665,30.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccccc4)C3)cc2oc1=O.Cl | |
| 4565,CHEMBL5283208,30.0,COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)C2 | |
| 412,CHEMBL1242991,30.0,C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2F)cs1 | |
| 3199,CHEMBL4527539,30.0,Clc1ccccc1-c1noc(-c2ccc(C3=NCCN3)cc2)n1 | |
| 3179,CHEMBL4538263,30.0,Clc1cccc(-c2nc(-c3cccc(C4=NCCN4)c3)no2)c1 | |
| 4166,CHEMBL4571763,30.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccccc4)C3)cc2oc1=O | |
| 3899,CHEMBL4778708,30.0,C#CCN(C)Cc1ccc(OCCCCCN2CCN(c3cccc4c3ccn4Cc3cccc(Cl)c3)CC2)cc1 | |
| 847,CHEMBL2029540,30.0,NC/C=C(/F)COc1cccc(C(F)(F)F)c1 | |
| 4575,CHEMBL279390,30.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 80,CHEMBL497676,30.08,C[C@@H]1CCCC/C1=N/Nc1nc(-c2ccc(F)cc2F)cs1 | |
| 2054,CHEMBL3739707,30.27,O=C1CCOc2cc(OCc3cccc(Br)c3)ccc21 | |
| 138,CHEMBL7531,31.0,O=C(/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1 | |
| 2276,CHEMBL28855,31.0,CN(C)c1ccc(/C=C2\Cc3ccccc3C2=O)cc1 | |
| 3478,CHEMBL887,31.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4699,CHEMBL5406057,31.3,O=C(Nc1ccccc1)c1cc(=O)c2cc(O)ccc2o1 | |
| 1384,CHEMBL3121794,31.5,COC(=O)c1cc2cc(OCc3cccc(Cl)c3)ccc2oc1=O | |
| 3675,CHEMBL4561598,31.61,Cc1cc(NC(=O)c2coc3ccccc3c2=O)cc(C)c1C | |
| 4918,CHEMBL5571965,31.8,O=C1C(c2cc(-c3ccc(C(F)(F)F)cc3)no2)=CS(=O)(=O)c2ccccc21 | |
| 576,CHEMBL1766550,31.82,O=C1/C(=C/c2ccc(Cl)cc2)COc2ccc(Cl)cc21 | |
| 307,CHEMBL1213779,31.87,COc1cccc(-c2csc(NN=C3CCCCC3)n2)c1 | |
| 1557,CHEMBL3288305,32.0,O=C1CCCc2cc(OCCCc3ccccc3)ccc21 | |
| 409,CHEMBL1243025,32.0,CC1CCCC/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 | |
| 404,CHEMBL1243400,32.0,C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc(C#N)cc2)cs1 | |
| 385,CHEMBL1243400,32.0,C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc(C#N)cc2)cs1 | |
| 381,CHEMBL1243025,32.0,CC1CCCC/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 | |
| 718,CHEMBL1830143,32.0,O=C(/C=C/c1ccc(O)cc1)Nc1cccc(Cl)c1 | |
| 4922,CHEMBL1201142,32.3,C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O | |
| 68,CHEMBL498507,32.33,CC1CCCC/C1=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 | |
| 76,CHEMBL508324,32.48,C[C@@H]1CCCC/C1=N/Nc1nc(-c2ccc(C#N)cc2)cs1 | |
| 4856,CHEMBL5565484,32.6,NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 | |
| 3300,CHEMBL4440827,32.7,C#CCN1CCC(/C=C/c2ccc(S(C)(=O)=O)cc2)CC1 | |
| 1556,CHEMBL3288304,33.0,O=C1CCCc2cc(OCCc3ccccc3)ccc21 | |
| 3586,CHEMBL279390,33.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 2080,CHEMBL3763862,33.0,O=c1oc2cc(OCCCc3ccccc3)ccc2s1 | |
| 34,CHEMBL500093,33.0,Cl.NCC1CC1c1ccccc1 | |
| 33,CHEMBL542118,33.0,Cl.NC1CC1c1ccccc1 | |
| 4075,CHEMBL4846272,33.0,COc1ccc2c(=O)c(/C=C/c3ccc(OC)c(OC)c3)coc2c1 | |
| 4798,CHEMBL5560604,33.0,O=C(NCc1ccc(F)c(F)c1)c1nc2ccc(O)cc2s1 | |
| 3568,CHEMBL972,33.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 649,CHEMBL1813522,33.0,O=C1NC(=O)c2cc(Oc3ccc4ccccc4c3)ccc21 | |
| 4656,CHEMBL5414652,33.0,Oc1cc(OCc2ccc(F)c(Cl)c2)ccc1CNc1ccccc1 | |
| 2053,CHEMBL3741418,33.45,O=C1CCOc2cc(OCc3ccc(Cl)cc3)ccc21 | |
| 4062,CHEMBL4852438,34.0,COc1ccc2occ(/C=C/c3ccc(F)cc3)c(=O)c2c1 | |
| 1071,CHEMBL2204758,34.0,N#Cc1ccc(SCc2ccc(F)cc2)cc1C#N | |
| 4534,CHEMBL227391,34.0,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 | |
| 3613,CHEMBL4455029,34.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccc(C#N)cc4)C3)cc2oc1=O | |
| 2122,CHEMBL3770487,34.2,CC(=O)c1cccc(OCc2cccc(Cl)c2)c1 | |
| 1217,CHEMBL2408563,34.4,CC1(C)CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1 | |
| 1170,CHEMBL2382434,34.9,O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1 | |
| 40,CHEMBL1255743,35.0,Cl.N[C@@H]1C[C@H]1c1ccccc1 | |
| 3860,CHEMBL4763805,35.0,NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1Cl | |
| 3831,CHEMBL4760340,35.0,O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2ccc(OCc3ccccc3)cc2c1=O | |
| 4657,CHEMBL5398247,35.0,Oc1cc(OCc2ccc(F)cc2)ccc1CNc1ccccc1F | |
| 4905,CHEMBL5570452,35.1,O=c1c(-c2cc(-c3cccc(C(F)(F)F)c3)no2)csc2ccccc12 | |
| 2052,CHEMBL1682815,35.26,O=C1CCOc2cc(OCc3cccc(Cl)c3)ccc21 | |
| 310,CHEMBL1213840,35.49,COc1cccc(-c2csc(NN=C3CCC(C)CC3)n2)c1 | |
| 4863,CHEMBL5563085,35.6,N#Cc1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O | |
| 2150,CHEMBL972,35.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4897,CHEMBL972,35.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4946,CHEMBL5595332,36.0,CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccs1 | |
| 3606,CHEMBL4447506,36.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4cccc(Cl)c4)C3)cc2oc1=O.Cl | |
| 3310,CHEMBL887,36.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 378,CHEMBL1242992,36.0,C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2F)cs1 | |
| 3953,CHEMBL1201142,36.0,C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O | |
| 413,CHEMBL1242992,36.0,C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2F)cs1 | |
| 3924,CHEMBL887,36.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4939,CHEMBL1328587,36.0,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 | |
| 4315,CHEMBL972,36.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3433,CHEMBL887,36.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 81,CHEMBL497675,36.06,C[C@H]1CCCC/C1=N/Nc1nc(-c2ccc(F)cc2F)cs1 | |
| 3303,CHEMBL4535439,36.1,C#CCN1CCC(CCc2ccc(CCC)cc2)CC1 | |
| 4695,CHEMBL5433816,37.0,NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc2oc(-c3ccc(F)cc3)cc2c1 | |
| 4958,CHEMBL396778,37.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4457,CHEMBL5289766,37.0,C/C(=N\Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1cccs1 | |
| 4057,CHEMBL4852741,37.0,O=c1c(/C=C/c2ccc(O)cc2)coc2ccccc12 | |
| 2736,CHEMBL279390,37.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 4361,CHEMBL5191838,37.0,FC1(F)CCN(c2nc3ccccc3c3c2ccn3Cc2ccccc2Cl)CC1 | |
| 3057,CHEMBL4283770,37.2,CN(C)CCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 1620,CHEMBL3319253,37.5,O=C(Nc1ccc(Cl)c(O)c1)c1ccc2[nH]ncc2c1 | |
| 1292,CHEMBL145059,38.0,O=C1CCc2ccc(OCc3ccccc3)cc2N1 | |
| 4693,CHEMBL5422460,38.0,NC(=O)[C@@H]1CCN1Cc1ccc2oc(-c3ccc(F)cc3)cc2c1 | |
| 4937,CHEMBL5573800,38.0,O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2 | |
| 1519,CHEMBL3264953,38.03,CC1CCC/C1=N\Nc1nc(-c2ccc(C#N)cc2)cs1 | |
| 3286,CHEMBL4589551,38.1,C#CCN1CCC(CCc2ccc(Cl)cc2)CC1 | |
| 3061,CHEMBL4277095,38.1,CCN(CC)CCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 2464,CHEMBL4097487,38.4,Cn1cc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2n1 | |
| 3239,CHEMBL972,38.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4954,CHEMBL5563449,39.0,CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cncnc1 | |
| 1821,CHEMBL3586604,39.0,Cc1cc(=O)oc2cc(OCc3ccc(CN(C)Cc4ccc(C#N)cc4)cc3)ccc12.Cl | |
| 1406,CHEMBL1929421,39.0,C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C | |
| 4840,CHEMBL5565228,39.0,C[C@H](Cc1ccccc1)N(C)CC#N | |
| 4459,CHEMBL5290814,39.0,O=C1/C(=C/c2cc3ccccc3[nH]2)Oc2ccccc21 | |
| 2635,CHEMBL4068546,39.0,O=[N+]([O-])/C=C/c1cccc(OCc2ccc(F)cc2)c1 | |
| 3570,CHEMBL396778,39.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 1772,CHEMBL3415788,39.0,C#CCN(C)CC(=C)CCc1ccccc1.O=C(O)C(=O)O | |
| 4777,CHEMBL972,39.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3338,CHEMBL4580662,39.0,Cc1c(C)c2ccc(OCC3CCN(Cc4ccc(CO)cc4)CC3)cc2oc1=O | |
| 4314,CHEMBL5176279,39.0,CCOC(=O)Cc1csc(N/N=C/c2ccc3cc(OC)ccc3c2)n1 | |
| 2311,CHEMBL3739471,39.21,CC1(C)CC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2O1 | |
| 1167,CHEMBL2382438,39.8,O=C(C/C=C/c1ccccc1)Nc1nc2ccccc2c(=O)s1 | |
| 453,CHEMBL1253613,40.0,Fc1ccc(-c2csc(NN=C3CCCC3)n2)cc1 | |
| 1031,CHEMBL2206094,40.0,Cn1c(=O)c2c(nc(SCCc3cccc(Br)c3)n2C)n(C)c1=O | |
| 2563,CHEMBL972,40.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4533,CHEMBL5286673,40.0,CN(C)c1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)cc1 | |
| 4550,CHEMBL972,40.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4561,CHEMBL5281646,40.0,COc1ccc2c(c1)C/C(=C\c1ccc(Br)o1)C2=O | |
| 374,CHEMBL1242964,40.0,C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2)cs1 | |
| 949,CHEMBL2151676,40.08,C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1ccco1 | |
| 4814,CHEMBL5565042,41.0,O=C(NCCc1ccccc1)c1nc2ccc(O)cc2s1 | |
| 1817,CHEMBL3586592,41.0,CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1 | |
| 2889,CHEMBL4207154,41.0,Cl.NCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 | |
| 2300,CHEMBL3920226,41.38,CC(=O)c1ccc(OCc2cccc(F)c2)cc1O | |
| 1390,CHEMBL3121788,41.7,C#CCCCCOc1ccc2cc(NC(C)=O)c(=O)oc2c1 | |
| 2587,CHEMBL4070614,41.8,COc1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 | |
| 4722,CHEMBL4070614,41.8,COc1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 | |
| 4352,CHEMBL5175763,42.0,Clc1cccc(Cn2ccc3c(N4CCC5(COC5)C4)nc4ccccc4c32)c1 | |
| 2997,CHEMBL972,42.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3508,CHEMBL279390,42.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 4456,CHEMBL5276754,42.0,COc1cccc(C(=O)/C=C/c2ccc(O/N=C(\C)c3cccc4ccccc34)cc2)c1 | |
| 2309,CHEMBL3741418,42.05,O=C1CCOc2cc(OCc3ccc(Cl)cc3)ccc21 | |
| 2514,CHEMBL4077771,42.3,Cc1ccc(N/C=C2\C(=O)Oc3ccccc3C2=O)cc1 | |
| 4966,CHEMBL396778,42.6,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 2303,CHEMBL3939253,42.75,CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1O | |
| 4133,CHEMBL972,42.84,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 996,CHEMBL342357,43.0,O=C1NC(=O)c2cc(OCc3ccccc3)ccc21 | |
| 1032,CHEMBL2206093,43.0,Cn1c(=O)c2c(nc(SCCc3cccc(Cl)c3)n2C)n(C)c1=O | |
| 645,CHEMBL342357,43.0,O=C1NC(=O)c2cc(OCc3ccccc3)ccc21 | |
| 2082,CHEMBL342357,43.0,O=C1NC(=O)c2cc(OCc3ccccc3)ccc21 | |
| 436,CHEMBL1254934,43.0,CC1CCC(=NNc2nc(-c3ccc(F)cc3)cs2)CC1 | |
| 2147,CHEMBL3770224,43.2,CC(=O)c1cccc(OCc2ccc(C(F)(F)F)cc2)c1 | |
| 2314,CHEMBL3892863,43.42,O=c1ccoc2cc(OCc3cccc(Cl)c3)ccc12 | |
| 1396,CHEMBL3121781,43.6,C#CCCCOc1ccc2cc(NC(C)=O)c(=O)oc2c1 | |
| 3302,CHEMBL4449776,43.7,C#CCN1CCC(/C=C/c2ccc(C3CC3)cc2)CC1 | |
| 1171,CHEMBL2382433,43.7,COc1cccc(C#CC(=O)Nc2nc3ccccc3c(=O)s2)c1 | |
| 3752,CHEMBL887,43.7,C#CCN[C@@H]1CCc2ccccc21 | |
| 3058,CHEMBL4284339,43.8,CN(C)CCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 4261,CHEMBL887,44.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 2479,CHEMBL887,44.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 2828,CHEMBL972,44.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2064,CHEMBL3739471,44.18,CC1(C)CC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2O1 | |
| 3282,CHEMBL4572478,44.4,C#CCN1CCC(/C=C/c2ccc(C(C)C)cc2)CC1 | |
| 863,CHEMBL972,45.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1726,CHEMBL3402197,45.0,Brc1cccc(COc2ccc3c(c2)OCCO3)c1 | |
| 1819,CHEMBL3586602,45.0,CN(Cc1ccc(C#N)cc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1.Cl | |
| 4363,CHEMBL5193874,45.0,COc1cccc(Cn2ccc3c(N4CCC(F)(F)CC4)nc4ccccc4c32)c1 | |
| 1152,CHEMBL2376885,45.0,O=C(Nc1cc2ccccc2oc1=O)OCc1ccccc1 | |
| 2066,CHEMBL3741888,45.36,CC1(C)CC(=O)c2ccc(OCc3ccc(Br)cc3)cc2O1 | |
| 2568,CHEMBL4074339,45.4,Cc1ccc2oc(=O)c(C(=O)Nc3cccc(O)c3)cc2c1 | |
| 2585,CHEMBL4081233,45.42,Cc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1 | |
| 3979,CHEMBL4858788,45.7,Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1C | |
| 3989,CHEMBL887,45.7,C#CCN[C@@H]1CCc2ccccc21 | |
| 544,CHEMBL1761762,45.95,COc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)oc2c1 | |
| 835,CHEMBL887,46.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 1301,CHEMBL887,46.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4312,CHEMBL5178375,46.0,COc1ccc2cc(/C=N/Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc2c1 | |
| 4896,CHEMBL887,46.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 3856,CHEMBL4792241,46.0,NC(=O)C1CCN1Cc1ccc(OCc2cccc(F)c2)cc1 | |
| 3557,CHEMBL4476820,46.0,O=C1Nc2ccc(OCc3cccc(Cl)c3)cc2C1=O | |
| 421,CHEMBL1254017,46.0,N#Cc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1 | |
| 648,CHEMBL1813521,46.0,O=C1NC(=O)c2cc(OC/C=C/c3ccccc3)ccc21 | |
| 3535,CHEMBL4532884,46.1,O=C(Nc1ccc2[nH]ccc2n1)c1ccc(F)c(F)c1 | |
| 3959,CHEMBL4798057,46.3,C#CCN(C)CCCCCOc1ccc2c(c1)CCCC2=O | |
| 4275,CHEMBL5177521,47.0,N#Cc1ccc(COc2ccc3c(c2)C(=O)CCC3)cc1 | |
| 417,CHEMBL1242964,47.0,C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2)cs1 | |
| 2260,CHEMBL3933900,47.0,O=C1/C(=C/c2ccc(F)cc2)Cc2cc(O)ccc21 | |
| 2802,CHEMBL4159091,47.0,O=[N+]([O-])c1cccc(-c2csc(NN=C3CCCCC3)n2)c1 | |
| 4073,CHEMBL4851829,47.0,COc1ccc2c(=O)c(/C=C/c3ccc(O)cc3)coc2c1 | |
| 1191,CHEMBL2391872,47.0,O=C1OCc2ccc(OCCc3ccccc3)cc21 | |
| 1570,CHEMBL3354977,47.0,COC[C@@H]1CN(c2noc3cc(OCCCC(F)(F)F)ccc23)C(=O)O1 | |
| 75,CHEMBL497674,47.24,C[C@H]1CCCC/C1=N/Nc1nc(-c2ccc(F)cc2)cs1 | |
| 2573,CHEMBL1598233,47.24,COc1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3)cc2c1 | |
| 2056,CHEMBL3742022,47.28,N#Cc1ccc(COc2ccc3c(c2)OCCC3=O)cc1 | |
| 3237,CHEMBL4585553,47.4,N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)OCc1ccccc1 | |
| 4860,CHEMBL972,47.6,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4056,CHEMBL4875706,48.0,CN(C)c1ccc(/C=C/c2coc3ccccc3c2=O)cc1 | |
| 2234,CHEMBL396778,48.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 296,CHEMBL315361,48.0,O=C(O)c1coc2ccccc2c1=O | |
| 3188,CHEMBL396778,48.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 3163,CHEMBL4453327,48.0,NS(=O)(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1 | |
| 2701,CHEMBL396778,48.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 2086,CHEMBL396778,48.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 1727,CHEMBL3402198,48.0,c1ccc(CCOc2ccc3c(c2)OCCO3)cc1 | |
| 4238,CHEMBL673,48.0,C#CCN(C)Cc1ccccc1 | |
| 1190,CHEMBL2391873,48.0,O=C1OCc2ccc(OCCc3ccc(Cl)cc3)cc21 | |
| 171,CHEMBL972,48.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1079,CHEMBL2312975,48.1,Cn1c(=O)c2c(cc(OCc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 3078,CHEMBL4289104,48.4,CN(C)CCCOc1cccc(/C=C2\COc3ccccc3C2=O)c1 | |
| 4555,CHEMBL5279918,49.0,Cc1c(/N=C/c2ccc(OCCCN(C)C)cc2)c(=O)n(-c2ccccc2)n1C | |
| 4744,CHEMBL5423573,49.0,Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C | |
| 4746,CHEMBL2332163,49.0,O=C(/C=C(O)/C=C/c1ccccc1)c1ccccc1O | |
| 4935,CHEMBL5574209,49.0,O=C(Nc1ccc(Br)c(F)c1)c1ccc2c(c1)OCCO2 | |
| 2621,CHEMBL243664,49.0,COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 | |
| 4538,CHEMBL5278526,49.0,Cn1cc(/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1 | |
| 4655,CHEMBL5441072,49.0,Oc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CNc1ccccc1 | |
| 2579,CHEMBL887,49.66,C#CCN[C@@H]1CCc2ccccc21 | |
| 3677,CHEMBL887,49.66,C#CCN[C@@H]1CCc2ccccc21 | |
| 3611,CHEMBL4446787,50.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccc(Cl)cc4)C3)cc2oc1=O.Cl | |
| 647,CHEMBL1813520,50.0,O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc21 | |
| 3102,CHEMBL887,50.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4119,CHEMBL4866391,50.0,C#CCNC1=C(Cl)C(=O)c2ccccc2C1=O | |
| 3285,CHEMBL4444081,50.4,C#CCN1CCC(/C=C/c2ccc(Cl)cc2)CC1 | |
| 1120,CHEMBL2332166,50.44,O=C(/C=C(O)/C=C/c1ccccc1)c1cc(F)ccc1O | |
| 1845,CHEMBL3605359,51.0,C[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCn1c2ccccc2c2c[n+](C)ccc21.[I-].[I-] | |
| 2076,CHEMBL145007,51.0,O=c1oc2cc(OCc3ccccc3)ccc2s1 | |
| 3332,CHEMBL4459482,51.0,Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(CO[N+](=O)[O-])c4)CC3)cc2oc1=O | |
| 1029,CHEMBL2206096,51.0,Cc1cccc(CCSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | |
| 2057,CHEMBL1682818,51.37,Cc1cccc(COc2ccc3c(c2)OCCC3=O)c1 | |
| 4862,CHEMBL5562537,51.9,CC(=O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O | |
| 3957,CHEMBL4782894,51.9,C#CCN(C)CCCCCCOc1ccc2c(c1)OCC2=O | |
| 1490,CHEMBL3219619,52.0,CN(C)c1ccc(NCc2ccccn2)cc1 | |
| 4953,CHEMBL5569900,52.0,CN(Cc1ccncc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 4659,CHEMBL396778,52.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 2265,CHEMBL3958135,52.0,Cc1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1 | |
| 4623,CHEMBL5433135,52.0,COc1cc(COc2ccc(-c3noc(-c4ccc5[nH]ncc5c4)n3)cc2)cc(OC)c1OC | |
| 2065,CHEMBL3739629,52.23,CC1(C)CC(=O)c2ccc(OCc3cccc(Br)c3)cc2O1 | |
| 1375,CHEMBL3121773,52.6,C#CCCCCOc1ccc2c(c1)NC(=O)CC2 | |
| 2050,CHEMBL1682816,52.65,O=C1CCOc2cc(OCc3cccc(F)c3)ccc21 | |
| 2307,CHEMBL3891155,52.93,CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1F | |
| 2811,CHEMBL4162060,53.0,CCC(CC)=NNc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 795,CHEMBL323988,53.0,O=c1ccoc2ccc(OCc3ccccc3)cc12 | |
| 4446,CHEMBL343277,53.0,CCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 | |
| 1818,CHEMBL3586595,53.0,Cc1c(C)c2ccc(OCc3ccc(CN(C)Cc4ccccc4)cc3)cc2oc1=O.Cl | |
| 4753,CHEMBL5429134,53.0,CCOc1ccccc1N1CCN(c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)CC1 | |
| 439,CHEMBL1254851,53.0,N#Cc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1 | |
| 2996,CHEMBL396778,53.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4752,CHEMBL2237017,53.0,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 | |
| 1165,CHEMBL2380384,53.1,CN(C(=O)CCCc1ccccc1)c1nc2ccccc2c(=O)s1 | |
| 4745,CHEMBL2238112,54.0,Cc1c(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C | |
| 141,CHEMBL489719,54.0,COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 | |
| 4831,CHEMBL5561589,54.0,Cc1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)c(C)c(C)c1O | |
| 5038,CHEMBL5647577,54.0,CC(C)Cc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1 | |
| 4537,CHEMBL2238112,54.0,Cc1c(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C | |
| 3315,CHEMBL4539578,54.0,CN(C)Cc1cccc(COc2ccc3c(CO)cc(=O)oc3c2)c1 | |
| 1142,CHEMBL2332186,54.77,O=C(/C=C/C=C/c1ccccc1)c1cc(Cl)ccc1O | |
| 4694,CHEMBL5402945,55.0,NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc2oc(-c3cccc(F)c3)cc2c1 | |
| 4338,CHEMBL5193046,55.0,Clc1cccc(Cn2ccc3c(N[C@H]4CCOC4)nc4ccccc4c32)c1 | |
| 652,CHEMBL1813525,55.0,O=C1NC(=O)c2cc(Oc3ccc(Br)cc3)ccc21 | |
| 2812,CHEMBL4162473,55.0,CCC/C(C)=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 4700,CHEMBL5423045,55.1,Cc1ccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)cc1 | |
| 578,CHEMBL1383041,55.37,O=C1/C(=C/c2ccc(O)cc2)COc2ccccc21 | |
| 2063,CHEMBL3742390,55.37,CC1(C)CC(=O)c2ccc(OCc3cccc(Cl)c3)cc2O1 | |
| 543,CHEMBL1761761,55.63,COc1ccc2cc(-c3ccsc3)c(=O)oc2c1 | |
| 1879,CHEMBL595846,56.0,COc1ccc(C(=O)/C=C/c2ccccc2F)cc1 | |
| 4525,CHEMBL5266061,56.0,COc1ccc2oc(=O)c(-c3ccc(C(F)(F)F)cc3)cc2c1 | |
| 1144,CHEMBL972,56.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 353,CHEMBL1243059,56.0,CC1CCC/C(=N/Nc2nc(-c3ccc(F)cc3F)cs2)C1 | |
| 5032,CHEMBL5639837,56.0,COc1cc(F)cc2oc(-c3ccc(CC(C)C)cc3)cc(=O)c12 | |
| 1780,CHEMBL3415801,56.0,C#CCN(C)CC(=C)c1ccc(OC)cc1.Cl | |
| 3966,CHEMBL4776135,56.51,C#CCN(C)CCCCOc1ccc(C(C)=O)cc1 | |
| 3298,CHEMBL4540242,56.6,C#CCN1CCC(CCc2ccc(C#N)cc2)CC1 | |
| 2305,CHEMBL3930258,56.89,CC(=O)c1ccc(OCc2ccc(F)cc2)cc1F | |
| 2139,CHEMBL3770170,56.9,CC(=O)c1ccc(OCc2ccccc2F)cc1 | |
| 5147,CHEMBL3291021,57.0,C#CCN(C)Cc1ccc(O)c2ncccc12 | |
| 54,CHEMBL258420,57.0,C#CCN(C)Cc1ccnc2c(O)cccc12 | |
| 1725,CHEMBL3402196,57.0,Clc1cccc(COc2ccc3c(c2)OCCO3)c1 | |
| 797,CHEMBL1945151,57.0,O=c1ccoc2ccc(OCCCc3ccccc3)cc12 | |
| 1929,CHEMBL3291021,57.0,C#CCN(C)Cc1ccc(O)c2ncccc12 | |
| 1874,CHEMBL3613158,57.0,O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(O)cc1 | |
| 3297,CHEMBL4581765,57.0,C#CCN1CCC(/C=C/c2ccc(C#N)cc2)CC1 | |
| 2046,CHEMBL1348198,57.37,O=C1CCOc2cc(OCc3ccccc3)ccc21 | |
| 4936,CHEMBL5574748,58.0,O=C(Nc1ccc(Cl)c(F)c1)c1ccc2c(c1)OCCO2 | |
| 4650,CHEMBL5430381,58.0,Oc1cc(OCc2ccc(Cl)cc2)ccc1CNc1ccccc1 | |
| 2129,CHEMBL3770874,58.2,CC(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1 | |
| 2049,CHEMBL3742068,58.82,O=C1CCOc2cc(OCc3ccccc3F)ccc21 | |
| 3962,CHEMBL4792756,58.9,C#CCN(C)CCCCOc1ccc2c(c1)OCCC2=O | |
| 574,CHEMBL511011,58.9,COc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 721,CHEMBL1830146,59.0,N#Cc1cccc(/C=C/C(=O)Nc2cccc(Br)c2)c1 | |
| 2903,CHEMBL4215203,59.0,Cl.NCCc1ccc(OCc2ccc(Cl)cc2)cc1 | |
| 4471,CHEMBL396778,60.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 1776,CHEMBL3415795,60.0,C#CCN(C)CC(=C)c1ccc(Br)cc1.Cl | |
| 4736,CHEMBL5432539,60.0,O=c1oc2cc(Br)ccc2cc1-c1ccc(Br)nn1 | |
| 195,CHEMBL560280,60.0,CC(=O)N1N=C(c2c(O)cccc2O)CC1c1cccc(C)c1 | |
| 1258,CHEMBL2417758,60.0,CN1N=C(c2ccccc2)CC1c1cccc(F)c1 | |
| 393,CHEMBL1254552,60.0,Cc1cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1 | |
| 4787,CHEMBL5531942,60.0,COc1ccc2sc(SC(=O)N/N=C\c3csc([N+](=O)[O-])c3)nc2c1 | |
| 4941,CHEMBL396778,60.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 1847,CHEMBL3605361,60.0,C[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](C)ccc21.[I-].[I-] | |
| 2278,CHEMBL1906073,60.0,COc1ccc2c(c1)C/C(=C\c1ccc(N(C)C)cc1)C2=O | |
| 3251,CHEMBL972,60.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4737,CHEMBL3360734,60.0,Cc1ccc2oc(=O)c(-c3cccc(N)c3)cc2c1 | |
| 4633,CHEMBL1254552,60.0,Cc1cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1 | |
| 1279,CHEMBL2426048,60.0,C#CCNCC(O)COc1ccc(-c2ccccc2)cc1 | |
| 2023,CHEMBL3735743,60.1,Cc1ccc2oc(=O)c(-c3cccc(OCc4cccc(F)c4)c3)cc2c1 | |
| 430,CHEMBL1253763,61.0,CC1CCC(=NNc2nc(-c3ccc(C#N)cc3)cs2)CC1 | |
| 1022,CHEMBL2206103,61.0,Cn1c(=O)c2c(nc(SCCCc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 3848,CHEMBL4743831,61.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1F)C(N)=O | |
| 1798,CHEMBL3415817,61.0,C#CCN(C)CC(=C)c1ccc(Cl)c(Cl)c1.O=C(O)C(=O)O | |
| 703,CHEMBL1830815,61.2,CCOC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O | |
| 3910,CHEMBL4758739,62.0,COc1ccc(-c2cnc3c4c(F)cccc4nn3c2)cc1 | |
| 597,CHEMBL1806760,62.0,Cn1c(=O)c2c(nc(OCc3ccc(Br)cc3)n2C)n(C)c1=O | |
| 2904,CHEMBL4210273,62.0,Cl.NCCc1ccc(OCc2cccc(Cl)c2)cc1 | |
| 2083,CHEMBL3764407,62.0,O=C1OCc2cc(OCc3ccccc3)ccc21 | |
| 1021,CHEMBL2206104,62.0,Cn1c(=O)c2c(nc(SCCCc3cccc(Cl)c3)n2C)n(C)c1=O | |
| 4906,CHEMBL5590991,62.2,Cc1ccc(-c2cc(-c3csc4ccccc4c3=O)on2)cc1 | |
| 1344,CHEMBL3093236,62.9,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)c(Cl)c2)n(C)c1=O | |
| 405,CHEMBL1243401,63.0,C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc(C#N)cc2)cs1 | |
| 1543,CHEMBL3288291,63.0,O=C1CCCc2cc(OCc3ccccc3)ccc21 | |
| 386,CHEMBL1243401,63.0,C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc(C#N)cc2)cs1 | |
| 608,CHEMBL1814068,63.0,O=C(Nc1ccc(Cl)cc1)c1coc2ccccc2c1=O | |
| 4079,CHEMBL396778,63.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 1787,CHEMBL3415779,63.0,C#CCN(C)CC(=C)c1cccc(OCc2ccc(F)cc2)c1.O=C(O)C(=O)O | |
| 77,CHEMBL456150,63.02,C[C@H]1CCCC/C1=N/Nc1nc(-c2ccc(C#N)cc2)cs1 | |
| 2131,CHEMBL3770084,63.2,CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 | |
| 2315,CHEMBL3927065,63.22,O=c1ccoc2cc(OCc3ccc(F)cc3)ccc12 | |
| 4708,CHEMBL8706,63.4,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 4857,CHEMBL5573087,63.4,NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)c(F)c1 | |
| 609,CHEMBL1814064,64.0,O=C(Nc1ccc(O)cc1)c1coc2ccccc2c1=O | |
| 3200,CHEMBL4459969,64.0,Clc1cccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)c1 | |
| 1214,CHEMBL2408575,65.0,Cc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cn1 | |
| 596,CHEMBL1806759,65.0,Cn1c(=O)c2c(nc(OCc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 3906,CHEMBL4759301,65.0,CSc1ccc(-c2cnc3c4ccccc4nn3c2)cc1 | |
| 3350,CHEMBL4522715,65.0,CCC(C)(C)c1ccc(OCCCN2CCCCCC2)cc1 | |
| 2061,CHEMBL3741949,65.48,CC1(C)CC(=O)c2ccc(OCc3cccc(F)c3)cc2O1 | |
| 1521,CHEMBL3264955,65.49,CC1CC/C(=N\Nc2nc(-c3ccc(F)cc3)cs2)C1 | |
| 2564,CHEMBL887,66.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 1846,CHEMBL3605360,66.0,C[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCn1c2ccccc2c2c[n+](C)ccc21.[I-].[I-] | |
| 524,CHEMBL1642679,66.0,O=C1Nc2ccc(Oc3ccc(Cl)cc3)cc2C1=O | |
| 98,CHEMBL470221,67.0,O=C(Nc1ccc(F)cc1)c1cc2ccccc2oc1=O | |
| 4658,CHEMBL5427279,67.0,Oc1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2O)c1 | |
| 3289,CHEMBL4533162,67.0,C#CCN1CCC(CCc2ccc(OC)cc2)CC1 | |
| 5055,CHEMBL5639166,67.0,CC(C)Oc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1 | |
| 2003,CHEMBL3735724,67.0,Cc1ccc(C(=O)/C=C/c2ccc(F)c(Br)c2)s1 | |
| 1070,CHEMBL2204759,67.0,COc1ccc(CSc2ccc(C#N)c(C#N)c2)cc1 | |
| 651,CHEMBL1813524,67.0,O=C1NC(=O)c2cc(OCCc3ccc(Br)cc3)ccc21 | |
| 1391,CHEMBL3121786,67.1,C#CCCCCOc1ccc2cc(C(=O)c3ccc(OC)cc3)c(=O)oc2c1 | |
| 1615,CHEMBL3319258,67.1,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2cn[nH]c2c1 | |
| 726,CHEMBL1835225,67.1,Cc1ccc(-c2cc3cc(O)ccc3oc2=O)cc1 | |
| 4960,CHEMBL5571894,67.3,NC(=O)Cc1nc2cc(OCc3ccc(F)cc3)ccc2[nH]1 | |
| 2108,CHEMBL3769637,67.69,CC(=O)N1N=C(c2ccc(Br)cc2)OC1c1ccc(Cl)c(Cl)c1 | |
| 1080,CHEMBL2313286,67.8,Cn1c(=O)c2c(cc(C#Cc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 2135,CHEMBL3771277,67.9,CC(=O)c1ccc(OCc2ccc(F)c(F)c2)cc1 | |
| 1488,CHEMBL3219618,68.0,CN(C)c1ccc(/N=C/c2ccccn2)cc1 | |
| 1189,CHEMBL2391874,68.0,O=C1OCc2ccc(OCCc3ccc(F)cc3)cc21 | |
| 511,CHEMBL1643124,68.0,Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 | |
| 3854,CHEMBL4781289,68.0,C#CCN(Cc1ccc(OCc2cccc(F)c2)cc1Cl)[C@@H](C)C(N)=O | |
| 3288,CHEMBL4564672,68.1,C#CCN1CCC(/C=C/c2ccc(OC)cc2)CC1 | |
| 2060,CHEMBL3741889,68.78,CC1(C)CC(=O)c2ccc(OCc3ccccc3F)cc2O1 | |
| 4703,CHEMBL5400189,68.9,O=C(Nc1cccc(Cl)c1)c1cc(=O)c2cc(O)ccc2o1 | |
| 3847,CHEMBL4752402,69.0,Cc1cc(OCc2cccc(F)c2)ccc1CN[C@@H](C)C(N)=O | |
| 508,CHEMBL1643121,69.0,O=C(Nc1ccc(I)cc1)c1coc2ccccc2c1=O | |
| 1149,CHEMBL887,69.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 1878,CHEMBL2013137,69.0,COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 | |
| 2067,CHEMBL3740665,69.51,CC1(C)CC(=O)c2ccc(OCc3ccc(C#N)cc3)cc2O1 | |
| 1161,CHEMBL2382425,69.7,O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1 | |
| 4927,CHEMBL1343771,70.0,O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 | |
| 4115,CHEMBL972,70.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4204,CHEMBL887,70.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 843,CHEMBL2029536,70.0,NC/C=C(/F)COc1ccc(OC(F)(F)F)cc1 | |
| 3660,CHEMBL1643120,70.7,O=C(Nc1ccccc1)c1coc2ccccc2c1=O | |
| 1790,CHEMBL3415782,71.0,C#CCN(C)CC(=C)c1cccc(COc2cccc(F)c2)c1.O=C(O)C(=O)O | |
| 1036,CHEMBL2206089,71.0,Cn1c(=O)c2c(nc(SCCc3ccc(F)cc3)n2C)n(C)c1=O | |
| 4299,CHEMBL5176809,71.0,O=C1CSc2cc(OCc3ccccc3)ccc2N1 | |
| 3176,CHEMBL972,71.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 140,CHEMBL490752,71.0,O=C(/C=C/c1ccc(Cl)cc1)c1ccc(F)cc1O | |
| 3182,CHEMBL4447183,71.0,Cc1ccc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1 | |
| 1212,CHEMBL2408585,71.8,O=C1CCCc2nc(Nc3cccc(Cl)c3)ncc21 | |
| 1034,CHEMBL2206091,72.0,Cc1ccc(CCSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 | |
| 4822,CHEMBL5567291,72.0,CCCCCCNC(=O)c1nc2ccc(O)cc2s1 | |
| 5324,CHEMBL4456254,72.0,O=C(Nc1cc2cc[nH]c2cn1)c1ccc(F)c(Cl)c1 | |
| 3529,CHEMBL4456254,72.0,O=C(Nc1cc2cc[nH]c2cn1)c1ccc(F)c(Cl)c1 | |
| 1209,CHEMBL550488,72.2,CCOC(=O)c1csc(N/N=C(\C)c2cccnc2)n1 | |
| 3958,CHEMBL4788141,72.5,C#CCN(C)CCCCOc1ccc2c(c1)CCCC2=O | |
| 309,CHEMBL1213839,72.7,COc1cccc(-c2csc(N/N=C3\CCCC(C)C3)n2)c1 | |
| 3558,CHEMBL4468351,73.0,O=C1Nc2ccc(OCc3ccc(F)cc3)cc2C1=O | |
| 2606,CHEMBL4090150,73.0,Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12 | |
| 4924,CHEMBL4802155,73.0,Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1 | |
| 4691,CHEMBL5438053,73.0,NC(=O)[C@@H]1CCN1Cc1ccc2oc(-c3ccccc3F)cc2c1 | |
| 4403,CHEMBL5218579,73.0,O=c1[nH]c2ccc(OCc3ccccc3)cc2c(=O)o1 | |
| 4157,CHEMBL5081663,73.0,CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(F)c1 | |
| 4877,CHEMBL5575945,73.4,NS(=O)(=O)c1ccc(COc2ccc3c(c2)oc(=O)c2ccccc23)cc1 | |
| 4033,CHEMBL4866653,74.0,C#CCNC1CCc2c(SCc3ccc(Cl)c(Cl)c3)cccc21 | |
| 3336,CHEMBL4457458,74.0,CN(C)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 5036,CHEMBL5641857,74.0,CCCOc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1 | |
| 4061,CHEMBL4875421,75.0,COc1ccc2occ(/C=C/c3ccccc3)c(=O)c2c1 | |
| 2554,CHEMBL4068302,75.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3cccnc3)cc2)nc2ccccc21 | |
| 3082,CHEMBL673,75.2,C#CCN(C)Cc1ccccc1 | |
| 2149,CHEMBL3769696,75.4,CC(=O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 | |
| 1135,CHEMBL2332176,75.84,O=C(/C=C/C=C/c1ccccc1)c1cc(F)ccc1O | |
| 3322,CHEMBL4450045,76.0,Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(CO)c4)CC3)cc2oc1=O | |
| 806,CHEMBL1945160,76.0,N#Cc1cccc(COc2ccc3occc(=O)c3c2)c1 | |
| 610,CHEMBL1814065,76.0,COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O | |
| 3319,CHEMBL4450310,76.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccc(CO)cc4)C3)cc2oc1=O | |
| 4410,CHEMBL5219958,76.0,CC(C)c1ccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)cc1 | |
| 1163,CHEMBL2382423,76.4,O=C(CCCc1ccccc1)Nc1nc2cc(Cl)ccc2c(=O)s1 | |
| 2145,CHEMBL3771057,77.1,CC(=O)c1ccc(OCc2ccccc2C)cc1 | |
| 911,CHEMBL2062873,77.4,COC(=O)c1coc2ccc(OCc3cccc(Br)c3)cc2c1=O | |
| 2128,CHEMBL3770942,77.8,CC(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | |
| 1213,CHEMBL2408408,77.9,Clc1cccc(Nc2ncc3c(n2)CCCC3)c1 | |
| 3378,CHEMBL4173258,78.0,C#CCN(C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C | |
| 3314,CHEMBL4457458,78.0,CN(C)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 1553,CHEMBL3288301,78.0,N#Cc1cccc(COc2ccc3c(c2)CCCC3=O)c1 | |
| 2743,CHEMBL4173258,78.0,C#CCN(C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C | |
| 3339,CHEMBL4173258,78.0,C#CCN(C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C | |
| 3385,CHEMBL4173258,78.0,C#CCN(C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C | |
| 2583,CHEMBL4089098,78.22,Cc1ccc2occ(C(=O)Nc3cccc(O)c3)c(=O)c2c1 | |
| 3978,CHEMBL4878916,78.8,O=C(Nc1ccc(Cl)c(Cl)c1)C1COc2ccccc2C1 | |
| 1380,CHEMBL3121863,78.9,COC(=O)c1cc2ccc(OC/C=C(\C)CCC=C(C)C)cc2oc1=O | |
| 3158,CHEMBL972,79.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1180,CHEMBL972,79.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1052,CHEMBL972,79.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2696,CHEMBL972,79.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1067,CHEMBL2204761,79.0,N#Cc1ccc(Sc2ccc(Br)cc2)cc1C#N | |
| 1285,CHEMBL972,79.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3162,CHEMBL4532666,79.0,NS(=O)(=O)c1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1 | |
| 3175,CHEMBL972,79.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4992,CHEMBL673,79.0,C#CCN(C)Cc1ccccc1 | |
| 4747,CHEMBL3393972,80.0,O=C(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 | |
| 4120,CHEMBL673,80.0,C#CCN(C)Cc1ccccc1 | |
| 4748,CHEMBL3735202,80.0,O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc[nH]1 | |
| 3927,CHEMBL4787352,80.0,O=C(Oc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1 | |
| 196,CHEMBL396778,80.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4865,CHEMBL5567576,81.0,C/C(=N/O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O | |
| 1188,CHEMBL2391875,81.0,Cc1ccc(CCOc2ccc3c(c2)C(=O)OC3)cc1 | |
| 1689,CHEMBL3394533,81.0,O=c1oc2cc(/N=C/c3ccccc3O)ccc2c2c1CCC2 | |
| 4313,CHEMBL5195301,82.0,COc1ccc2cc(/C=N/Nc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)ccc2c1 | |
| 4141,CHEMBL5076491,82.0,C[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(OCc3cccc(F)c3)cc2)C1 | |
| 333,CHEMBL363555,82.0,CCOc1ccc(/C=C2\SC(=O)N(CCN)C2=O)cc1 | |
| 4402,CHEMBL363555,82.0,CCOc1ccc(/C=C2\SC(=O)N(CCN)C2=O)cc1 | |
| 636,CHEMBL363555,82.0,CCOc1ccc(/C=C2\SC(=O)N(CCN)C2=O)cc1 | |
| 1400,CHEMBL3121775,82.4,C#CCCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1 | |
| 2468,CHEMBL887,82.5,C#CCN[C@@H]1CCc2ccccc21 | |
| 2217,CHEMBL887,82.5,C#CCN[C@@H]1CCc2ccccc21 | |
| 2355,CHEMBL887,82.5,C#CCN[C@@H]1CCc2ccccc21 | |
| 666,CHEMBL1823552,82.54,CC(=O)N1N=C(c2ccc(Br)cc2)O[C@@H]1c1ccc(Cl)cc1 | |
| 3015,CHEMBL887,83.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 3729,CHEMBL4569183,83.0,Cn1c(=O)c2c(nc3n2CCCCN3Cc2ccc(Cl)c(Cl)c2)n(C)c1=O | |
| 1774,CHEMBL3415792,83.0,C#CCN(C)CC(=C)c1cccc(Cl)c1.O=C(O)C(=O)O | |
| 2367,CHEMBL887,83.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 2138,CHEMBL3771339,83.1,CC(=O)c1ccc(OCc2cccc(F)c2)cc1 | |
| 592,CHEMBL1777814,83.48,COc1cc(Br)cc2cc(-c3ccccc3)c(=O)oc12 | |
| 2259,CHEMBL3965044,84.0,O=C1/C(=C/c2cccc(F)c2)Cc2cc(O)ccc21 | |
| 2134,CHEMBL3770510,84.1,CC(=O)c1ccc(OCc2cc(F)c(F)c(F)c2)cc1 | |
| 4653,CHEMBL5394801,85.0,O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3)c(O)c2)cc1 | |
| 2636,CHEMBL4095869,85.0,O=[N+]([O-])/C=C/c1cccc(OCc2ccccc2)c1 | |
| 747,CHEMBL972,85.2,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2126,CHEMBL3769644,85.6,CC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 | |
| 3504,CHEMBL673,85.8,C#CCN(C)Cc1ccccc1 | |
| 4692,CHEMBL5422732,86.0,NC(=O)[C@@H]1CCN1Cc1ccc2oc(-c3cccc(F)c3)cc2c1 | |
| 361,CHEMBL1243151,86.0,C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 | |
| 4444,CHEMBL5272726,86.0,CC/C(C)=N/Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 | |
| 2551,CHEMBL887,86.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 1295,CHEMBL2430703,86.0,O=C1CCc2cc(OCc3cccc(Br)c3)ccc2N1 | |
| 2692,CHEMBL887,86.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 440,CHEMBL1254850,86.0,O=[N+]([O-])c1ccc(-c2csc(NN=C3CCCCC3)n2)cc1 | |
| 2144,CHEMBL3771068,86.3,CC(=O)c1ccc(OCc2cccc(C)c2)cc1 | |
| 2123,CHEMBL3771077,86.4,CC(=O)c1cccc(OCc2ccc(F)cc2)c1 | |
| 1340,CHEMBL3093239,86.9,Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(Cl)c(Cl)c2)n(C)c1=O | |
| 4532,CHEMBL1360330,87.0,O=C(/C=C/c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 | |
| 2188,CHEMBL3780391,87.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(-c3ccoc3)cc2)cc1 | |
| 2668,CHEMBL887,87.6,C#CCN[C@@H]1CCc2ccccc21 | |
| 3775,CHEMBL4634695,87.9,COc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1 | |
| 1650,CHEMBL3330340,88.0,CC[C@]1(N)C[C@@H]1c1ccccc1.Cl | |
| 3599,CHEMBL4539659,89.0,Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(Cl)c4)CC3)cc2oc1=O.Cl | |
| 4359,CHEMBL5190792,89.0,FC1(F)CCN(c2nc3ccccc3c3c2ccn3Cc2ccccc2)CC1 | |
| 15,CHEMBL127983,90.0,O=C1c2ccccc2-c2nnc(-c3ccc(C(F)(F)F)cc3)cc21 | |
| 720,CHEMBL1830145,90.0,N#Cc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2)c1 | |
| 845,CHEMBL2029538,90.0,NC/C=C(/F)COc1ccc(F)c(F)c1 | |
| 3614,CHEMBL4556552,90.0,COc1ccc(CN2CCCC(COc3ccc4c(C)c(C)c(=O)oc4c3)C2)cc1OC | |
| 953,CHEMBL2151680,90.26,C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1ccccc1 | |
| 2005,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 3159,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 3510,CHEMBL673,91.0,C#CCN(C)Cc1ccccc1 | |
| 1796,CHEMBL3415815,91.0,C#CCN(C)CC(=C)c1ccc(C)c(C)c1.O=C(O)C(=O)O | |
| 1705,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 2233,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 2700,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 1723,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 4194,CHEMBL5183930,91.0,CCN(CC)Cc1ccc(/C=C2\Cc3ccc(OC)cc3C2=O)cc1 | |
| 1569,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 1560,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 3187,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 434,CHEMBL1255019,91.0,CC1CCC(=NNc2nc(-c3ccc(F)cc3F)cs2)CC1 | |
| 3174,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 1286,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 1181,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 1018,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 2085,CHEMBL279390,91.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 2058,CHEMBL3741822,91.29,Cc1ccc(COc2ccc3c(c2)OCCC3=O)cc1 | |
| 1395,CHEMBL3121782,91.8,C#CCCCOc1ccc2ccc(=O)oc2c1 | |
| 3490,CHEMBL4470317,91.9,COc1ccc2cc(Cn3ccc(=O)c(O)c3C)c(=O)oc2c1 | |
| 2299,CHEMBL3770333,92.41,CC(=O)c1cccc(OCc2ccc(Br)cc2)c1 | |
| 3853,CHEMBL4786719,93.0,C#CCN(Cc1ccc(OCc2cccc(F)c2)cc1F)[C@@H](C)C(N)=O | |
| 1172,CHEMBL2382432,93.3,O=C(/C=C/c1cccc(Cl)c1)Nc1nc2ccccc2c(=O)s1 | |
| 2741,CHEMBL972,94.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1164,CHEMBL2382420,94.0,Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1 | |
| 4660,CHEMBL887,94.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 399,CHEMBL247834,94.0,O=[N+]([O-])c1ccc(-c2csc(NN=C3CCCC3)n2)cc1 | |
| 3955,CHEMBL4799796,94.8,C#CCN(C)CCCCCOc1ccc2c(c1)CCC2=O | |
| 4645,CHEMBL5400685,95.0,Oc1cc(OCc2cccc(F)c2)ccc1CNc1ccccc1 | |
| 2803,CHEMBL399764,95.0,O=[N+]([O-])c1cccc(-c2csc(NN=C3CCCC3)n2)c1 | |
| 4296,CHEMBL972,95.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 5317,CHEMBL673,95.0,C#CCN(C)Cc1ccccc1 | |
| 1177,CHEMBL2380386,95.3,COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1 | |
| 1813,CHEMBL3586576,96.0,Cc1c(C)c2ccc(OCCCCN(C)Cc3ccccc3)cc2oc1=O | |
| 2381,CHEMBL3943071,96.0,Brc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 5165,CHEMBL3943071,96.0,Brc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 4341,CHEMBL5197407,96.0,Clc1cccc(Cn2ccc3c(NCC4CCCO4)nc4ccccc4c32)c1 | |
| 4940,CHEMBL887,96.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 2120,CHEMBL3770616,96.3,CC(=O)c1cccc(OCc2cccc(Br)c2)c1 | |
| 2140,CHEMBL3769430,96.5,CC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 | |
| 2304,CHEMBL3902282,96.51,CC(=O)c1ccc(OCc2cccc(F)c2)cc1F | |
| 1844,CHEMBL3605358,97.0,C[n+]1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2c[n+](C)ccc21.[I-].[I-] | |
| 4549,CHEMBL5269911,97.0,O=C(CSC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 | |
| 4713,CHEMBL5421246,97.2,O=C(Nc1ccc(Cl)cc1)c1coc2ccc(O)cc2c1=O | |
| 2059,CHEMBL3741067,97.47,CC1(C)CC(=O)c2ccc(OCc3ccccc3)cc2O1 | |
| 4022,CHEMBL396778,98.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4912,CHEMBL5569718,98.2,Cc1cccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)c1 | |
| 2068,CHEMBL3740583,98.32,Cc1cccc(COc2ccc3c(c2)OC(C)(C)CC3=O)c1 | |
| 3793,CHEMBL4632495,98.6,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3ccccc3[N+](=O)[O-])cc2oc1=O | |
| 814,CHEMBL1946826,99.0,CN(C)c1ccc(/C=C2\Oc3ccccc3C2=O)cc1 | |
| 3238,CHEMBL4516380,99.2,N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)OCCc1ccccc1 | |
| 4374,CHEMBL5219483,100.0,Cc1c(Cl)c(=O)oc2cc(OCCCCSC(=S)N3C(C)CCCC3C)ccc12 | |
| 1800,CHEMBL3415819,100.0,C#CCN(C)CC(=C)c1ccc(Cl)c(C)c1.O=C(O)C(=O)O | |
| 4429,CHEMBL5267508,100.0,Cc1ccc(NC(=O)c2c(OCc3ccccc3)ccc3c(=O)c(C)c(C)oc23)cc1 | |
| 5149,CHEMBL3687960,100.0,C#CCN(C)CCCc1ccc(O)c2ncccc12 | |
| 4377,CHEMBL147527,100.0,C#CCN(C)C(C)Cc1cccc(OC(=O)N(C)CC)c1 | |
| 1568,CHEMBL3299140,100.0,CC1=C(/C=N/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(C)(C)CC=C1 | |
| 1280,CHEMBL2426047,100.0,C#CCN(C)CCCOc1cccc(NC(=O)c2ccccc2)c1 | |
| 2732,CHEMBL1561896,100.0,COc1cccc(COC(=O)c2nn(-c3ccccc3)nc2N)c1 | |
| 1984,CHEMBL3687960,100.0,C#CCN(C)CCCc1ccc(O)c2ncccc12 | |
| 3585,CHEMBL673,100.0,C#CCN(C)Cc1ccccc1 | |
| 4430,CHEMBL5289518,100.0,COc1ccc(NC(=O)c2c(OCc3ccccc3)ccc3c(=O)c(C)c(C)oc23)cc1 | |
| 4799,CHEMBL5555385,100.0,O=C(NCc1ccc(F)cc1F)c1nc2ccc(O)cc2s1 | |
| 3781,CHEMBL4647351,100.2,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2cc(OCc3ccccc3)ccc2oc1=O | |
| 664,CHEMBL1823550,100.64,CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 | |
| 3968,CHEMBL4799286,100.86,C#CCN(C)CCCCCOc1cccc(OC)c1 | |
| 4529,CHEMBL5219483,101.0,Cc1c(Cl)c(=O)oc2cc(OCCCCSC(=S)N3C(C)CCCC3C)ccc12 | |
| 4526,CHEMBL5283994,101.0,Cc1c(Cl)c(=O)oc2cc(OCCCSC(=S)N3C(C)CCCC3C)ccc12 | |
| 2809,CHEMBL4161431,101.0,C=CCC/C(C)=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 2143,CHEMBL3770938,102.0,CC(=O)c1ccc(OCc2ccc(C)cc2)cc1 | |
| 3682,CHEMBL4515554,102.0,Cc1ccc(C(=O)Nc2coc3ccccc3c2=O)cc1 | |
| 3560,CHEMBL4582083,102.0,O=C1Nc2ccc(OCCc3ccc(F)cc3)cc2C1=O | |
| 3647,CHEMBL673,103.0,C#CCN(C)Cc1ccccc1 | |
| 2081,CHEMBL1642670,103.0,O=C1Nc2ccc(OCc3ccccc3)cc2C1=O | |
| 4689,CHEMBL5406099,103.0,COc1cccc(-c2cc3cc(CN4CC[C@H]4C(N)=O)ccc3o2)c1 | |
| 515,CHEMBL1642670,103.0,O=C1Nc2ccc(OCc3ccccc3)cc2C1=O | |
| 2631,CHEMBL4094254,103.0,O=[N+]([O-])/C=C/c1cccc(OCc2cccc(F)c2)c1 | |
| 2141,CHEMBL3769905,104.0,CC(=O)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 | |
| 2603,CHEMBL4087723,104.0,O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(Br)cc3)cc2o1 | |
| 5025,CHEMBL5639834,104.0,COc1cc(F)c2c(=O)cc(-c3ccc(OC(C)C)cc3)oc2c1 | |
| 567,CHEMBL1766556,104.34,COc1cc(/C=C2\COc3ccccc3C2=O)ccc1O | |
| 2630,CHEMBL4077377,105.0,O=[N+]([O-])/C=C/c1cccc(OCc2cccc(Cl)c2)c1 | |
| 5040,CHEMBL5646700,105.0,C=CCOc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1 | |
| 3598,CHEMBL4472789,105.0,Cc1c(C)c2ccc(OCC3CCN(Cc4ccccc4)CC3)cc2oc1=O.Cl | |
| 1143,CHEMBL244661,105.51,O=C(/C=C/C=C/c1ccccc1)c1ccccc1O | |
| 2021,CHEMBL3735711,105.6,Cc1ccc2oc(=O)c(-c3ccc(OCc4ccccc4)cc3)cc2c1 | |
| 2633,CHEMBL4071786,106.0,O=[N+]([O-])/C=C/c1cccc(OCc2ccc(C(F)(F)F)cc2)c1 | |
| 3798,CHEMBL673,107.3,C#CCN(C)Cc1ccccc1 | |
| 3787,CHEMBL4637131,107.9,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3cccc(F)c3)cc2oc1=O | |
| 3783,CHEMBL4636030,108.1,CCOc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1 | |
| 4902,CHEMBL5566383,109.0,Cc1ccccc1-c1cc(-c2csc3ccccc3c2=O)on1 | |
| 2906,CHEMBL4212675,109.0,Cl.NCCc1ccc(OCc2ccc(F)cc2)cc1 | |
| 1729,CHEMBL3402200,109.0,c1ccc(OCCOc2ccc3c(c2)OCCO3)cc1 | |
| 1255,CHEMBL2417761,110.0,Cc1cccc(C2CC(c3ccccc3)=NN2C)c1 | |
| 2146,CHEMBL3278090,110.0,CC(=O)c1ccc(OCc2ccccc2)cc1 | |
| 2910,CHEMBL4215006,110.0,Cl.NCCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 | |
| 3320,CHEMBL4551962,110.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4cccc(CO)c4)C3)cc2oc1=O | |
| 3607,CHEMBL4443825,110.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4cccc(Br)c4)C3)cc2oc1=O.Cl | |
| 3256,CHEMBL4550936,110.0,C#CCNC1CCc2c(NCc3cccc(Br)c3)cccc21 | |
| 1256,CHEMBL2417760,110.0,Cc1ccccc1C1CC(c2ccccc2)=NN1C | |
| 2748,CHEMBL4167004,110.0,Cc1ccc(NC(=S)N/N=C/c2ccc(-n3nc4c(c3C)N(C)S(=O)(=O)c3ccccc3-4)cc2)c(C)c1 | |
| 611,CHEMBL1814070,110.0,O=C(Nc1ccc(C(F)(F)F)cc1)c1coc2ccccc2c1=O | |
| 225,CHEMBL601205,110.0,Cc1ccc2c(c1)O[C@H](c1ccccc1)CC2=O | |
| 1573,CHEMBL3354980,110.0,COC[C@@H]1CN(c2noc3cc(OCCCCCF)ccc23)C(=O)O1 | |
| 4168,CHEMBL4598256,110.0,Cc1c(C)c2ccc(OCC3CCN(Cc4ccccc4)CC3)cc2oc1=O | |
| 3776,CHEMBL4635429,110.7,COc1cccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc12 | |
| 4849,CHEMBL5556627,111.2,NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)c(F)c1 | |
| 4239,CHEMBL389064,112.0,Cn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(C)c1=O | |
| 1860,CHEMBL396778,112.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 992,CHEMBL2151668,112.36,Fc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1 | |
| 3612,CHEMBL4527319,113.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccc(S(C)(=O)=O)cc4)C3)cc2oc1=O | |
| 2069,CHEMBL3741989,113.21,Cc1ccc(COc2ccc3c(c2)OC(C)(C)CC3=O)cc1 | |
| 2590,CHEMBL4085981,113.5,COc1ccc2occ(C(=O)Nc3cccc(O)c3)c(=O)c2c1 | |
| 2148,CHEMBL3769462,114.0,CC(=O)c1cccc(OCc2cccc([N+](=O)[O-])c2)c1 | |
| 4743,CHEMBL2088271,114.0,Cc1c(/N=C/c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C | |
| 4536,CHEMBL2088271,114.0,Cc1c(/N=C/c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C | |
| 1068,CHEMBL2204760,114.0,N#Cc1ccc(Sc2ccc(Cl)cc2)cc1C#N | |
| 3596,CHEMBL4564297,114.0,Cc1c(C)c2ccc(OC3CCN(CC(=O)c4ccccc4)CC3)cc2oc1=O | |
| 3789,CHEMBL4637509,114.9,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3cc(F)ccc3F)cc2oc1=O | |
| 4487,CHEMBL5170103,115.0,O=C1/C(=C/c2ccccc2)CCc2c(O)cccc21 | |
| 4489,CHEMBL5278714,115.0,Nc1ccc2c(c1)CC/C(=C\c1ccccc1)C2=O | |
| 4490,CHEMBL28689,115.0,O=C1/C(=C/c2ccccc2)CCc2ccccc21 | |
| 4485,CHEMBL5194716,115.0,O=C1/C(=C/c2ccccc2)CCc2cc(O)ccc21 | |
| 4486,CHEMBL5184115,115.0,O=C1/C(=C/c2ccccc2)CCc2ccc(O)cc21 | |
| 4362,CHEMBL5195779,115.0,Fc1cccc(Cn2ccc3c(N4CCC(F)(F)CC4)nc4ccccc4c32)c1 | |
| 4488,CHEMBL5268561,115.0,COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1)CC2 | |
| 663,CHEMBL1823540,115.31,CC(=O)N1N=C(c2ccc(Cl)cc2)OC1c1ccc(Cl)cc1 | |
| 657,CHEMBL1823540,115.31,CC(=O)N1N=C(c2ccc(Cl)cc2)OC1c1ccc(Cl)cc1 | |
| 445,CHEMBL220495,116.0,c1ccc(-c2csc(NN=C3CCCCC3)n2)cc1 | |
| 2002,CHEMBL3735123,116.0,O=C(/C=C/c1ccc(F)c(Br)c1)c1ccc(Cl)s1 | |
| 319,CHEMBL1213968,116.38,COc1cccc(-c2csc(N/N=C(\C)c3ccncc3)n2)c1 | |
| 3964,CHEMBL4785956,117.0,C#CCN(C)CCCCCCOc1ccc2c(c1)OCCC2=O | |
| 2455,CHEMBL3319245,117.0,O=C(Nc1ccccc1)c1ccc2[nH]ncc2c1 | |
| 1629,CHEMBL3319245,117.0,O=C(Nc1ccccc1)c1ccc2[nH]ncc2c1 | |
| 3795,CHEMBL4643633,117.3,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3ccc(C(C)C)cc3)cc2oc1=O | |
| 1692,CHEMBL3394530,118.0,Cc1c(C)c2ccc(/N=C/c3ccccc3O)cc2oc1=O | |
| 2808,CHEMBL4169354,118.0,CCCC/C(C)=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 4821,CHEMBL5568492,118.0,O=C(NCC1CCCCC1)c1nc2ccc(O)cc2s1 | |
| 3791,CHEMBL4642176,118.5,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2oc1=O | |
| 1775,CHEMBL3415793,120.0,C#CCN(C)CC(=C)c1ccc(Cl)cc1.O=C(O)C(=O)O | |
| 3327,CHEMBL4550762,120.0,Cc1c(C)c2ccc(OCC3CCN(Cc4ccc(CCO)cc4)CC3)cc2oc1=O | |
| 1260,CHEMBL2417756,120.0,CN1N=C(c2ccccc2)CC1c1ccccc1 | |
| 1572,CHEMBL3354979,120.0,COC[C@@H]1CN(c2noc3cc(OCCCCF)ccc23)C(=O)O1 | |
| 363,CHEMBL1243180,120.0,CC1CCC/C(=N/Nc2nc(-c3ccc(C#N)cc3)cs2)C1 | |
| 2466,CHEMBL279390,120.0,NCCNC(=O)c1ccc(Cl)cn1 | |
| 3386,CHEMBL1929421,120.0,C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C | |
| 4934,CHEMBL5567122,120.0,O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2 | |
| 2930,CHEMBL673,120.0,C#CCN(C)Cc1ccccc1 | |
| 510,CHEMBL1643123,120.0,CSc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 | |
| 1382,CHEMBL3121796,120.0,COC(=O)c1cc2cc(OCCc3ccc(Cl)cc3)ccc2oc1=O | |
| 3380,CHEMBL1929421,120.0,C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C | |
| 3845,CHEMBL673,120.0,C#CCN(C)Cc1ccccc1 | |
| 742,CHEMBL1835327,120.02,Cc1ccc2oc(=O)c(-c3ccccc3O)cc2c1 | |
| 3491,CHEMBL4442642,120.9,C#CCOc1ccc2cc(Cn3ccc(=O)c(O)c3CC)c(=O)oc2c1 | |
| 3530,CHEMBL4451278,121.0,O=C(Nc1cc2cc[nH]c2cn1)c1ccc(Cl)c(F)c1 | |
| 656,CHEMBL1823539,121.62,CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)OC1c1ccc(Cl)cc1 | |
| 4950,CHEMBL5574703,122.0,CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1nccs1 | |
| 3796,CHEMBL4639488,122.1,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O | |
| 1392,CHEMBL3121785,123.0,C#CCCCCOc1ccc2oc(=O)c(C(=O)OC)cc2c1 | |
| 1622,CHEMBL3319251,123.0,O=C(Nc1ccc(O)c(Cl)c1)c1ccc2[nH]ncc2c1 | |
| 1066,CHEMBL2204762,124.0,N#Cc1ccc(SCCc2ccccc2)cc1C#N | |
| 5042,CHEMBL5646989,124.0,CCCOc1ccc(-c2cc(=O)c3c(Cl)cc(OC)cc3o2)cc1 | |
| 1028,CHEMBL2206097,125.0,COc1cccc(CCSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | |
| 3790,CHEMBL4634082,125.3,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3cc(F)cc(F)c3)cc2oc1=O | |
| 4959,CHEMBL5570570,125.5,NC(=O)Cc1nc2cc(OCc3cccc(F)c3)ccc2[nH]1 | |
| 4360,CHEMBL5182953,126.0,Fc1ccccc1Cn1ccc2c(N3CCC(F)(F)CC3)nc3ccccc3c21 | |
| 3496,CHEMBL4531520,126.5,Cc1cc(=O)c(O)cn1Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O | |
| 1207,CHEMBL557959,127.4,CCOC(=O)c1csc(N/N=C(\C)c2ccncc2)n1 | |
| 3788,CHEMBL4638785,127.8,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O | |
| 3956,CHEMBL4794385,128.6,C#CCN(C)CCCCCCOc1ccc2c(c1)CCC2=O | |
| 3493,CHEMBL4445352,128.6,CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccccc3)cc2oc1=O | |
| 5043,CHEMBL5647270,129.0,COc1cc(Cl)c2c(=O)cc(-c3ccc(OC(C)C)cc3)oc2c1 | |
| 4800,CHEMBL5561330,129.0,O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccc(O)cc2s1 | |
| 1103,CHEMBL2333930,129.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 | |
| 3773,CHEMBL4635480,129.3,Cc1cc(=O)c(O)cn1CCNC(=O)c1cc2ccccc2oc1=O | |
| 1828,CHEMBL673,130.0,C#CCN(C)Cc1ccccc1 | |
| 3914,CHEMBL4746352,130.0,CC(=O)c1ccc(-c2cnc3c4cccnc4nn3c2)cc1 | |
| 5024,CHEMBL5646711,130.0,CCCOc1ccc(-c2cc(=O)c3c(F)cc(OC)cc3o2)cc1 | |
| 14,CHEMBL341071,130.0,Cc1cc2c(nn1)-c1ccccc1C2=O | |
| 1284,CHEMBL673,130.0,C#CCN(C)Cc1ccccc1 | |
| 1773,CHEMBL3415789,130.0,C#CCN(C)CC(=C)Cc1ccc(F)c(F)c1.O=C(O)C(=O)O | |
| 253,CHEMBL600596,130.0,Cc1ccc2c(c1)OC(c1ccc(F)cc1)CC2=O | |
| 2267,CHEMBL3971638,130.0,N#Cc1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1 | |
| 846,CHEMBL2029539,130.0,NC/C=C(/F)COc1ccc(C(F)(F)F)cc1 | |
| 4155,CHEMBL5085674,130.0,Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc2oc1=O | |
| 4164,CHEMBL5083613,130.0,CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C(F)F)cc(=O)oc3c2)cc1 | |
| 1288,CHEMBL2430709,130.0,O=C1CCc2ccc(OCCCc3ccccc3)cc2N1 | |
| 3782,CHEMBL4633106,130.7,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2cccc(OCc3ccccc3)c2oc1=O | |
| 1145,CHEMBL2332210,131.5,C#CCN(C)[C@H](CF)CC(C)C | |
| 3909,CHEMBL4779904,132.0,COc1ccc(-c2cnc3c4c(Cl)cccc4nn3c2)cc1 | |
| 3640,CHEMBL4555770,132.0,Cn1c(=O)c2c(nc3n2CCN(c2ccc(Br)cc2)C3)n(C)c1=O | |
| 1085,CHEMBL2312990,132.9,Cn1c(=O)c2c(cc(/C=C/c3ccc(Cl)c(Cl)c3)n2C)n(C)c1=O | |
| 1996,CHEMBL3734767,133.0,O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 | |
| 3960,CHEMBL4780817,133.1,C#CCN(C)CCCCCCOc1ccc2c(c1)CCCC2=O | |
| 1812,CHEMBL3586574,134.0,Cc1c(C)c2ccc(OCCCN(C)Cc3ccccc3)cc2oc1=O.Cl | |
| 450,CHEMBL246809,134.0,Cc1ccc(-c2csc(NN=C3CCCC3)n2)cc1 | |
| 3784,CHEMBL4637881,134.6,CCCOc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1 | |
| 5026,CHEMBL5646951,135.0,COc1cc(F)c2c(=O)cc(-c3ccc(CC(C)C)cc3)oc2c1 | |
| 3786,CHEMBL4645435,135.8,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O | |
| 2923,CHEMBL4216145,136.0,Cl.NCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | |
| 2555,CHEMBL4097183,136.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)nc2ccccc21 | |
| 3602,CHEMBL4441966,137.0,Cc1c(C)c2ccc(OCC3CCCN(C)C3)cc2oc1=O.Cl | |
| 4910,CHEMBL5570896,137.0,Cc1ccccc1-c1cc(C2=CS(=O)(=O)c3ccccc3C2=O)on1 | |
| 958,CHEMBL2151686,137.6,Fc1ccc(-c2csc(N/N=C\c3cccc4ccccc34)n2)c(F)c1 | |
| 516,CHEMBL1642671,138.0,O=C1Nc2cc(OCc3ccccc3)ccc2C1=O | |
| 226,CHEMBL601844,140.0,Cc1ccc2c(c1)O[C@@H](c1ccccc1)CC2=O | |
| 4817,CHEMBL5549751,140.0,O=C(c1nc2ccc(O)cc2s1)N1Cc2ccc(Cl)cc2C1 | |
| 4154,CHEMBL5090504,140.0,Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(F)c4)CC3)cc2oc1=O | |
| 1257,CHEMBL2417759,140.0,CN1N=C(c2ccccc2)CC1c1ccc(F)cc1 | |
| 4818,CHEMBL5556560,140.0,O=C(NCCc1cc2ccccc2[nH]1)c1nc2ccc(O)cc2s1 | |
| 669,CHEMBL1830796,140.0,CC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O | |
| 4150,CHEMBL5082354,140.0,NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1Cl | |
| 2117,CHEMBL3771267,140.0,CC(=O)c1cccc(OCc2ccc(C)cc2)c1 | |
| 4118,CHEMBL4862113,140.0,C#CCN(C)C1=C(Cl)C(=O)c2ccccc2C1=O | |
| 1493,CHEMBL1984524,140.0,CN(C)c1ccc(/N=N/c2ccccn2)cc1 | |
| 565,CHEMBL1766558,140.52,O=C1/C(=C/c2ccc(O)c(O)c2)COc2ccccc21 | |
| 1605,CHEMBL3319270,141.0,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nccn2c1 | |
| 3974,CHEMBL887,141.7,C#CCN[C@@H]1CCc2ccccc21 | |
| 4241,CHEMBL4286754,142.0,O=c1[nH]c(SCc2cccc(I)c2)nc2ccccc12 | |
| 3154,CHEMBL4286754,142.0,O=c1[nH]c(SCc2cccc(I)c2)nc2ccccc12 | |
| 379,CHEMBL246813,142.0,Cc1ccc(-c2csc(N/N=C3\CCCCC3C)n2)cc1 | |
| 70,CHEMBL498506,142.64,Cc1ccc(-c2csc(N/N=C3/CCCCC3C)n2)cc1 | |
| 3785,CHEMBL4633021,142.7,C#CCOc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1 | |
| 3792,CHEMBL4634075,142.9,COc1ccc(COc2ccc3cc(C(=O)NCCn4ccc(=O)c(O)c4C)c(=O)oc3c2)cc1 | |
| 411,CHEMBL246813,143.0,Cc1ccc(-c2csc(N/N=C3\CCCCC3C)n2)cc1 | |
| 3234,CHEMBL4464272,143.0,N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)N1CCCCC1 | |
| 2625,CHEMBL1089,143.0,NNCCc1ccccc1 | |
| 2639,CHEMBL4062286,143.65,COc1c(OC/C=C(\C)C[C@@H]2C=C(CCC(N)=O)C(=O)O2)ccc2ccc(=O)oc12 | |
| 3794,CHEMBL4646565,143.7,Cc1cccc(COc2ccc3cc(C(=O)NCCn4ccc(=O)c(O)c4C)c(=O)oc3c2)c1 | |
| 1703,CHEMBL3398529,144.0,N#Cc1cc2[nH]c(-c3ccccc3)c(Cl)c2cc1C#N | |
| 2634,CHEMBL4063297,144.0,O=[N+]([O-])/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 | |
| 1881,CHEMBL1802004,145.0,COc1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 | |
| 3502,CHEMBL4475204,145.1,Cc1cc(=O)c(O)cn1Cc1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O | |
| 4793,CHEMBL5568172,146.0,O=C(NCc1ccccc1Cl)c1nc2ccc(O)cc2s1 | |
| 4778,CHEMBL887,147.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4803,CHEMBL5566090,147.0,Cc1ccccc1CNC(=O)c1nc2ccc(O)cc2s1 | |
| 3279,CHEMBL4556816,147.0,C#CCN1CCC(/C=C/c2ccc(C)cc2)CC1 | |
| 934,CHEMBL2088301,148.0,Cn1c(=O)c2c(nc(COc3cccc(Br)c3)n2C)n(C)c1=O | |
| 4919,CHEMBL5575276,149.0,O=C1C(c2cc(-c3ccc(F)cc3)no2)=CS(=O)(=O)c2ccccc21 | |
| 5041,CHEMBL5646854,149.0,CC(C)COc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1 | |
| 357,CHEMBL1243124,150.0,Cc1ccc(-c2csc(N/N=C3/CCC[C@@H](C)C3)n2)cc1 | |
| 4424,CHEMBL5280309,150.0,COc1ccc2c(=O)cc(-n3ccc4ccccc43)oc2c1 | |
| 4066,CHEMBL4876442,150.0,COc1ccc(/C=C/c2coc3ccc(OC)cc3c2=O)cc1 | |
| 3424,CHEMBL673,150.0,C#CCN(C)Cc1ccccc1 | |
| 4423,CHEMBL5269900,150.0,COc1ccc2ccn(-c3cc(=O)c4ccccc4o3)c2c1 | |
| 230,CHEMBL599762,150.0,O=C1C[C@H](c2ccc(F)cc2)Oc2cc(F)ccc21 | |
| 227,CHEMBL597472,150.0,Cc1ccc([C@@H]2CC(=O)c3ccc(F)cc3O2)cc1 | |
| 1405,CHEMBL3127967,150.0,C#CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C | |
| 3719,CHEMBL4535750,150.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2Br)n(C)c1=O | |
| 228,CHEMBL598151,150.0,Cc1ccc([C@H]2CC(=O)c3ccc(F)cc3O2)cc1 | |
| 824,CHEMBL1950704,150.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(C(F)(F)F)cc1 | |
| 2584,CHEMBL4099251,151.6,Cc1ccc(NC(=O)c2coc3ccc(C)cc3c2=O)cc1 | |
| 967,CHEMBL2151538,152.86,N#Cc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1 | |
| 1141,CHEMBL2332187,153.14,COc1ccc(/C=C/C=C/C(=O)c2cc(Cl)ccc2O)cc1 | |
| 3900,CHEMBL4741978,154.0,C#CCN(C)Cc1ccc(OCCCCCN2CCN(c3cccc4c3ccn4S(=O)(=O)c3ccccc3)CC2)cc1 | |
| 577,CHEMBL452004,154.23,O=C1/C(=C/c2ccc(Cl)cc2)COc2ccccc21 | |
| 219,CHEMBL577099,155.59,Cc1ccc2oc(=O)c(-c3ccc(O)cc3)cc2c1 | |
| 740,CHEMBL577099,155.59,Cc1ccc2oc(=O)c(-c3ccc(O)cc3)cc2c1 | |
| 4850,CHEMBL5575065,155.6,NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)c(Cl)c1 | |
| 4483,CHEMBL452004,156.0,O=C1/C(=C/c2ccc(Cl)cc2)COc2ccccc21 | |
| 3231,CHEMBL4527953,156.0,O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Oc1ccccc1 | |
| 3780,CHEMBL4632506,156.5,Cc1cccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc12 | |
| 3778,CHEMBL4635925,157.8,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2cccc(O)c2oc1=O | |
| 5056,CHEMBL5639356,159.0,CC(C)Cc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1 | |
| 3280,CHEMBL4548398,159.0,C#CCN1CCC(CCc2ccc(C)cc2)CC1 | |
| 3797,CHEMBL4637805,159.6,Cc1c(O)c(=O)ccn1CCC(=O)Nc1cc2ccccc2oc1=O | |
| 3180,CHEMBL4444732,160.0,CC1CN=C(c2ccc(-c3noc(-c4ccc(Cl)c(Cl)c4)n3)cc2)N1 | |
| 4059,CHEMBL4872807,160.0,COc1ccc(/C=C/c2coc3ccccc3c2=O)cc1OC | |
| 1777,CHEMBL3415797,160.0,C#CCN(C)CC(=C)c1cccc(F)c1.O=C(O)C(=O)O | |
| 221,CHEMBL598096,160.0,COc1ccc2c(c1)O[C@H](c1ccc(F)cc1)CC2=O | |
| 612,CHEMBL1814066,160.0,O=C(Nc1ccc(O)c(O)c1)c1coc2ccccc2c1=O | |
| 841,CHEMBL2029534,160.0,CSc1ccc(OC/C(F)=C\CN)cc1 | |
| 142,CHEMBL241861,160.0,O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1O | |
| 4160,CHEMBL5078658,160.0,Cc1c(C)c2ccc(OCc3ccc(CN(C)CCCC(F)F)cc3)cc2oc1=O | |
| 256,CHEMBL600391,160.0,Cc1ccc(C2CC(=O)c3ccc(F)cc3O2)cc1 | |
| 1127,CHEMBL2332185,160.32,O=C(/C=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1O | |
| 736,CHEMBL1783716,160.64,COc1cc(-c2cc3cc(C)ccc3oc2=O)cc(OC)c1OC | |
| 583,CHEMBL1783716,160.64,COc1cc(-c2cc3cc(C)ccc3oc2=O)cc(OC)c1OC | |
| 4964,CHEMBL5567468,161.3,NC(=O)Cc1nc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2[nH]1 | |
| 3779,CHEMBL4636566,162.7,Cc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1 | |
| 3610,CHEMBL4439320,163.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccc(F)cc4)C3)cc2oc1=O.Cl | |
| 4151,CHEMBL396778,163.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 3897,CHEMBL4780498,163.0,C#CCNC1CCc2c(OCCCCCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)cccc21 | |
| 3501,CHEMBL4451228,163.1,CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O | |
| 449,CHEMBL247833,164.0,COc1ccc(-c2csc(NN=C3CCCC3)n2)cc1 | |
| 1720,CHEMBL3402190,164.0,Brc1cccc(COc2ccc3c(c2)OCO3)c1 | |
| 186,CHEMBL488076,165.0,CC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3 | |
| 2504,CHEMBL4080702,165.0,O=C1COC(c2ccc(/C=C/c3ccccc3)cc2)=NN1 | |
| 606,CHEMBL1806768,166.0,Cn1c(=O)c2c(nc(OCCOc3ccc(Br)cc3)n2C)n(C)c1=O | |
| 3062,CHEMBL4281177,166.0,CCN(CC)CCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 3232,CHEMBL4514572,167.0,O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCc1ccccc1 | |
| 1109,CHEMBL2333937,167.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 | |
| 756,CHEMBL1927670,167.0,Cn1c(=O)c2c(nc(SCc3ccc(Br)cc3)n2C)n(C)c1=O | |
| 4305,CHEMBL5170948,167.0,O=C1CSc2cc(OCCc3ccccc3)ccc2N1 | |
| 1074,CHEMBL2204755,167.0,N#Cc1ccc(SCc2ccccc2)cc1C#N | |
| 1724,CHEMBL3402195,168.0,c1ccc(COc2ccc3c(c2)OCCO3)cc1 | |
| 3161,CHEMBL4452583,168.0,NS(=O)(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 | |
| 4981,CHEMBL5590397,170.0,COc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)c(OC)c1OC | |
| 1498,CHEMBL3220507,170.0,Cc1ccc(C(=O)Nc2cc3cc(C)ccc3oc2=O)cc1 | |
| 4928,CHEMBL5566194,170.0,O=C(Nc1cccc(Br)c1)c1ccc2c(c1)OCCO2 | |
| 255,CHEMBL598720,170.0,COc1ccc(C2CC(=O)c3ccc(F)cc3O2)cc1 | |
| 249,CHEMBL598746,170.0,COc1ccc2c(c1)OC(c1ccc(F)cc1)CC2=O | |
| 229,CHEMBL601843,170.0,O=C1C[C@@H](c2ccc(F)cc2)Oc2cc(F)ccc21 | |
| 746,CHEMBL1911928,170.5,C#CCN(C)[C@H](CF)Cc1ccccc1 | |
| 3731,CHEMBL4544530,171.0,Cn1c(=O)c2c(nc3n2CCCCN3Cc2ccc(F)c(Br)c2)n(C)c1=O | |
| 1229,CHEMBL2418212,171.4,Clc1ccccc1-c1nc2ccc(N3CCCCC3)nc2s1 | |
| 916,CHEMBL2062877,172.0,CC(=O)c1cc(OCc2ccc(Br)cc2)ccc1O | |
| 1303,CHEMBL2442536,173.0,[2H]C([2H])(C#C)N[C@@H]1c2ccccc2C[C@H]1F | |
| 2491,CHEMBL4061847,173.0,O=C1COC(c2ccc(/C=C/c3cccc(Cl)c3)cc2)=NN1 | |
| 5058,CHEMBL5647365,173.0,C=CCOc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1 | |
| 1081,CHEMBL2313285,173.2,Cn1c(=O)c2c(cc(C#Cc3cccc(Cl)c3)n2C)n(C)c1=O | |
| 3772,CHEMBL4647450,173.3,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccccc2oc1=O | |
| 1264,CHEMBL2420790,174.0,O=C(/C=C/c1ccc(Cl)o1)c1cccc(Cl)c1 | |
| 1989,CHEMBL2420790,174.0,O=C(/C=C/c1ccc(Cl)o1)c1cccc(Cl)c1 | |
| 1091,CHEMBL2313296,174.6,Cn1c(=O)c2c(cc(/C=C/c3ccc(F)cc3)n2C)n(C)c1=O | |
| 2024,CHEMBL3736482,174.8,Cc1ccc2oc(=O)c(-c3ccc(OCc4cccc(F)c4)cc3)cc2c1 | |
| 2917,CHEMBL4210764,175.0,COc1cccc(COc2ccc(CN)cc2)c1.Cl | |
| 3708,CHEMBL4574378,177.0,Cn1c(=O)c2c(nc3n2CCN3Cc2ccc(F)c(Br)c2)n(C)c1=O | |
| 3747,CHEMBL1929421,177.0,C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C | |
| 4957,CHEMBL5573115,177.0,CN(CCc1cccnc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 3946,CHEMBL4792634,178.0,C#CCN1CCC(OC(=O)Nc2ccc(C(C)C)cc2)CC1 | |
| 998,CHEMBL2158250,179.0,O=C1NC(=O)c2cc(SC3CCCCC3)ccc21 | |
| 3243,CHEMBL4454548,180.0,C#CCNC1CCc2c(SCc3ccc(Cl)cc3)cccc21 | |
| 1236,CHEMBL2417754,180.0,CN1N=C(c2ccc(O)cc2O)CC1c1cccc(Cl)c1 | |
| 837,CHEMBL2029527,180.0,NC/C=C(/F)COc1ccccc1 | |
| 743,CHEMBL1835328,180.04,CC(=O)COc1cccc(-c2cc3cc(C)ccc3oc2=O)c1 | |
| 1108,CHEMBL2333925,181.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 | |
| 2236,CHEMBL3806317,181.45,O=C1/C(=C/c2c[nH]c3ccccc23)COc2ccccc21 | |
| 2805,CHEMBL4173167,182.0,CCCC/C(CC)=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 1875,CHEMBL276473,182.0,O=C(/C=C/c1ccccc1)c1ccc(O)cc1 | |
| 1077,CHEMBL2312981,182.3,Cn1c(=O)c2c(cc(-n3cc(-c4ccc(Cl)cc4)nn3)n2C)n(C)c1=O | |
| 605,CHEMBL1806767,183.0,Cn1c(=O)c2c(nc(OCCOc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 2130,CHEMBL3771354,183.0,CC(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 | |
| 1745,CHEMBL3407581,183.6,C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C | |
| 2004,CHEMBL3736131,185.0,COc1ccc(C(=O)/C=C/c2ccc(Cl)s2)c(O)c1 | |
| 1624,CHEMBL3319249,185.0,COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC | |
| 1148,CHEMBL2376888,185.0,CC(C)COC(=O)Nc1cc2ccccc2oc1=O | |
| 5039,CHEMBL5639688,187.0,C#CCOc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1 | |
| 3777,CHEMBL4642136,187.8,Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2cc(O)ccc2oc1=O | |
| 2817,CHEMBL673,188.0,C#CCN(C)Cc1ccccc1 | |
| 1101,CHEMBL673,188.0,C#CCN(C)Cc1ccccc1 | |
| 1313,CHEMBL673,188.0,C#CCN(C)Cc1ccccc1 | |
| 1836,CHEMBL673,188.0,C#CCN(C)Cc1ccccc1 | |
| 2807,CHEMBL4176538,189.0,CCC/C(CC)=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 940,CHEMBL2088307,189.0,Cn1c(=O)c2c(nc(COc3ccc(Br)cc3)n2C)n(C)c1=O | |
| 2341,CHEMBL3961309,190.0,COc1cc2c(cc1OC)C(=O)/C(=C/c1cccc(O)c1)CO2 | |
| 772,CHEMBL1934043,190.0,Cc1ccccc1/C=N/Nc1nc(-c2ccc(F)cc2)cs1 | |
| 4272,CHEMBL4571763,190.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccccc4)C3)cc2oc1=O | |
| 1639,CHEMBL3330329,190.0,CC[C@@]1(N)C[C@@H]1c1ccccc1.Cl | |
| 39,CHEMBL2093957,190.0,Cl.N[C@@H]1C[C@]1(F)c1ccccc1 | |
| 2782,CHEMBL4173572,190.0,O=Cc1cccc(OCc2ccc(Br)cc2)c1 | |
| 1289,CHEMBL2430708,191.0,O=C1CCc2ccc(OCCc3ccccc3)cc2N1 | |
| 1677,CHEMBL673,192.0,C#CCN(C)Cc1ccccc1 | |
| 755,CHEMBL1927669,192.0,Cn1c(=O)c2c(nc(SCc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 2632,CHEMBL4068342,192.0,Cc1ccc(COc2cccc(/C=C/[N+](=O)[O-])c2)cc1 | |
| 3499,CHEMBL4580037,192.6,Cc1cc(=O)c(O)cn1Cc1cc2ccc(OCc3cccc(F)c3)cc2oc1=O | |
| 2124,CHEMBL3770498,193.0,CC(=O)c1cccc(OCc2cccc(F)c2)c1 | |
| 2907,CHEMBL4218204,193.0,Cl.NCCc1ccc(OCc2cccc(F)c2)cc1 | |
| 1343,CHEMBL3093237,193.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2cc(Cl)cc(Cl)c2)n(C)c1=O | |
| 2958,CHEMBL673,194.0,C#CCN(C)Cc1ccccc1 | |
| 3774,CHEMBL4648527,194.6,O=C(NCCn1ccc(=O)c(O)c1)c1cc2ccccc2oc1=O | |
| 638,CHEMBL1222280,195.0,CN(C)c1ccc(/C=C2\SC(=O)N(CCN)C2=O)cc1 | |
| 2340,CHEMBL673,195.0,C#CCN(C)Cc1ccccc1 | |
| 4401,CHEMBL1222280,195.0,CN(C)c1ccc(/C=C2\SC(=O)N(CCN)C2=O)cc1 | |
| 332,CHEMBL1222280,195.0,CN(C)c1ccc(/C=C2\SC(=O)N(CCN)C2=O)cc1 | |
| 3605,CHEMBL4571763,195.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4ccccc4)C3)cc2oc1=O | |
| 3308,CHEMBL673,195.5,C#CCN(C)Cc1ccccc1 | |
| 3609,CHEMBL4460538,196.0,Cc1c(C)c2ccc(OCC3CCCN(Cc4cccc(Br)c4)C3)cc2oc1=O | |
| 1744,CHEMBL3407582,196.3,C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C | |
| 3645,CHEMBL4548500,197.0,Cn1c(=O)c2c(nc3n2CCN(Cc2ccc(Cl)c(Cl)c2)C3)n(C)c1=O | |
| 4554,CHEMBL350958,198.0,COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1 | |
| 5028,CHEMBL5646439,198.0,C=CCOc1ccc(-c2cc(=O)c3c(F)cc(OC)cc3o2)cc1 | |
| 954,CHEMBL2151682,198.5,Fc1ccc(-c2csc(N/N=C\c3cccnc3)n2)c(F)c1 | |
| 2073,CHEMBL673,198.5,C#CCN(C)Cc1ccccc1 | |
| 1019,CHEMBL2206106,199.0,Cn1c(=O)c2c(nc(SCc3cccc(Br)c3)n2C)n(C)c1=O | |
| 1880,CHEMBL423911,199.0,COc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 | |
| 1281,CHEMBL2426046,200.0,C#CCNCCCOc1cccc(NC(=O)c2ccccc2)c1 | |
| 4631,CHEMBL2313297,200.0,Cn1c(=O)c2c(cc(/C=C/c3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 670,CHEMBL1830797,200.0,CC(=O)c1cc2cc(Br)cc(Br)c2oc1=O | |
| 3703,CHEMBL4527294,200.0,O=C(SCCc1ccco1)c1cc2ccccc2oc1=O | |
| 3087,CHEMBL4282010,200.0,Cc1ccc2oc(-c3ccccc3Br)cc2c1 | |
| 2884,CHEMBL673,200.0,C#CCN(C)Cc1ccccc1 | |
| 222,CHEMBL600385,200.0,COc1ccc2c(c1)O[C@@H](c1ccc(F)cc1)CC2=O | |
| 1994,CHEMBL2420785,200.0,Cc1ccc(C(=O)/C=C/c2ccc(F)c(Br)c2)o1 | |
| 1090,CHEMBL2313297,200.0,Cn1c(=O)c2c(cc(/C=C/c3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 4756,CHEMBL4282010,200.0,Cc1ccc2oc(-c3ccccc3Br)cc2c1 | |
| 4757,CHEMBL592446,200.0,Cc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)CC2c2cccs2)c1 | |
| 372,CHEMBL1242937,200.0,CC1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2)cs1 | |
| 1269,CHEMBL2420785,200.0,Cc1ccc(C(=O)/C=C/c2ccc(F)c(Br)c2)o1 | |
| 1779,CHEMBL3415800,200.0,C#CCN(C)CC(=C)c1cccc(OC)c1.O=C(O)C(=O)O | |
| 43,CHEMBL130217,200.0,NC(=O)/C=C1\CCc2c(F)cc(F)cc21 | |
| 2020,CHEMBL3735983,201.0,Cc1ccc2oc(=O)c(-c3cccc(OCc4ccccc4)c3)cc2c1 | |
| 4365,CHEMBL5177787,201.0,FC1(F)CCN(c2nc3ccccc3c3c2ccn3Cc2ccc(Cl)cc2)CC1 | |
| 444,CHEMBL1254763,202.0,Clc1ccc(-c2csc(NN=C3CCCCC3)n2)c(Cl)c1 | |
| 3034,CHEMBL4249189,203.0,C[C@H](Cc1ccc(OCc2ccc(Br)c(Cl)c2)cc1)N(C)CC(=O)O | |
| 2115,CHEMBL3771328,203.59,CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 | |
| 73,CHEMBL496280,203.83,CC1CCCC/C1=N/Nc1nc(-c2ccc(F)cc2)cs1 | |
| 418,CHEMBL1242937,204.0,CC1CCCC/C1=N\Nc1nc(-c2ccc(F)cc2)cs1 | |
| 3861,CHEMBL4758344,204.0,NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(F)c2)cc1 | |
| 4140,CHEMBL4758344,204.0,NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(F)c2)cc1 | |
| 4619,CHEMBL5406273,204.0,COc1cc(-c2cccc(NC(=O)c3ccc4[nH]ncc4c3)c2)cc(OC)c1OC | |
| 1263,CHEMBL2420791,206.0,O=C(/C=C/c1ccc(Br)o1)c1cccc(Cl)c1 | |
| 1162,CHEMBL2382424,206.0,O=C(CCCc1ccccc1)Nc1nc2ccsc2c(=O)s1 | |
| 3017,CHEMBL4246570,206.0,CN(CC(=O)O)[C@H](CC#N)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | |
| 881,CHEMBL2058428,207.0,C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C | |
| 4242,CHEMBL4291246,208.0,O=c1[nH]c(SCc2cccc(Br)c2)nc2ccccc12 | |
| 3153,CHEMBL4291246,208.0,O=c1[nH]c(SCc2cccc(Br)c2)nc2ccccc12 | |
| 1146,CHEMBL2332212,208.5,C#CCN(C)[C@H](CF)Cc1ccco1 | |
| 1110,CHEMBL2333936,209.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 | |
| 4854,CHEMBL5571185,209.0,CCOC(=O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O | |
| 3625,CHEMBL4451303,210.0,Cn1c(=O)c2c(nc3n2CCN([C@@H]2CCCc4ccccc42)C3)n(C)c1=O | |
| 4449,CHEMBL139973,210.0,CCOc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1 | |
| 4093,CHEMBL4854334,210.0,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1 | |
| 4447,CHEMBL5267506,210.0,CCOc1ccc(C(=O)/C=C/c2ccc(CC)cc2)cc1 | |
| 4448,CHEMBL342010,210.0,CCOc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 | |
| 362,CHEMBL1243152,210.0,C[C@H]1CCC/C(=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 | |
| 1831,CHEMBL3585848,210.0,C#CCN(C)[C@H](C)Cc1ccc(NCc2ccccc2O)cc1 | |
| 4450,CHEMBL138129,210.0,CCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1 | |
| 4451,CHEMBL140405,210.0,CCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 | |
| 4452,CHEMBL138676,210.0,CCOc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 | |
| 4454,CHEMBL5276972,210.0,CCOc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1 | |
| 4455,CHEMBL5272342,210.0,CCOc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1 | |
| 1588,CHEMBL3297792,210.0,O=C(SCc1ccco1)c1cc2ccccc2oc1=O | |
| 4453,CHEMBL5287310,210.0,CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 | |
| 3169,CHEMBL4460034,210.0,NS(=O)(=O)c1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1 | |
| 4445,CHEMBL33458,210.0,CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 | |
| 2591,CHEMBL4075920,210.8,COc1ccc2occ(C(=O)Nc3ccc(C)cc3)c(=O)c2c1 | |
| 4723,CHEMBL4075920,211.0,COc1ccc2occ(C(=O)Nc3ccc(C)cc3)c(=O)c2c1 | |
| 446,CHEMBL1253693,211.0,Clc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1 | |
| 2248,CHEMBL3805175,213.22,CN(C)c1ccc(/C=C2\COc3ccccc3C2=O)cn1 | |
| 2127,CHEMBL3770747,214.0,CC(=O)c1ccc(OCc2cccc(Br)c2)cc1 | |
| 3236,CHEMBL4514607,215.0,N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)Oc1ccccc1 | |
| 3908,CHEMBL4791844,215.0,COc1ccc(-c2cnc3c4ccccc4nn3c2)cc1 | |
| 2274,CHEMBL3909535,215.0,CC(C)c1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1 | |
| 3196,CHEMBL4463081,216.0,COc1cccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)c1 | |
| 3264,CHEMBL4562988,216.4,C#CCN1CCC(CCc2cc(F)c(F)cc2F)CC1 | |
| 948,CHEMBL2151675,216.58,Fc1ccc(-c2csc(N/N=C\c3ccco3)n2)c(F)c1 | |
| 1685,CHEMBL3394537,217.0,O=c1oc2cc(/N=C/c3ccc(O)cc3O)ccc2c2c1CCC2 | |
| 2104,CHEMBL3770005,217.99,COc1ccc(C2=NN(C(C)=O)C(c3ccc(Cl)c(Cl)c3)O2)cc1 | |
| 2013,CHEMBL3735242,218.0,Cc1ccc2oc(=O)c(-c3cccc(OCCN(C)C)c3)cc2c1 | |
| 3033,CHEMBL4239660,218.0,C[C@H](Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N(C)CC(=O)O | |
| 1345,CHEMBL241617,218.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)cc2)n(C)c1=O | |
| 4077,CHEMBL673,220.0,C#CCN(C)Cc1ccccc1 | |
| 3746,CHEMBL673,220.0,C#CCN(C)Cc1ccccc1 | |
| 1633,CHEMBL3319238,220.0,O=C(Nc1ccc2cn[nH]c2c1)c1cnc(N2CCOCC2)c(Cl)c1 | |
| 4996,CHEMBL5630122,220.0,O=C1OCc2ccc(N3N=C(c4ccccc4O)CC3=O)cc21 | |
| 665,CHEMBL1823543,220.61,CC(=O)N1N=C(c2ccc(Br)cc2)OC1c1ccc(Cl)cc1 | |
| 658,CHEMBL1823543,220.61,CC(=O)N1N=C(c2ccc(Br)cc2)OC1c1ccc(Cl)cc1 | |
| 2168,CHEMBL3770592,221.0,CC1Oc2ccccc2C2CC(c3ccc(F)cc3)=NN2C1=O | |
| 3868,CHEMBL972,221.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 448,CHEMBL399572,221.0,N#Cc1ccc(-c2csc(NN=C3CCCC3)n2)cc1 | |
| 753,CHEMBL1927667,223.0,Cn1c(=O)c2c(nc(SCCc3ccccc3)n2C)n(C)c1=O | |
| 1065,CHEMBL2204763,223.0,N#Cc1ccc(SC2CCCCC2)cc1C#N | |
| 1864,CHEMBL3613273,223.0,O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1 | |
| 3503,CHEMBL4452340,223.1,CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cc(F)cc(F)c3)cc2oc1=O | |
| 327,CHEMBL7002,225.0,CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | |
| 4399,CHEMBL7002,225.0,CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | |
| 4417,CHEMBL3786378,226.0,COc1cc(O)c2c(c1)O/C(=C\c1ccc(N3CCCCC3)cc1)C2=O | |
| 2214,CHEMBL3786378,226.0,COc1cc(O)c2c(c1)O/C(=C\c1ccc(N3CCCCC3)cc1)C2=O | |
| 1020,CHEMBL2206105,227.0,Cn1c(=O)c2c(nc(SCc3cccc(Cl)c3)n2C)n(C)c1=O | |
| 1522,CHEMBL3264957,227.48,CC1CC/C(=N\Nc2nc(-c3ccc(C#N)cc3)cs2)C1 | |
| 810,CHEMBL1946643,228.0,O=C1NC(=O)/C(=C\c2ccc(Br)cc2)S1 | |
| 2575,CHEMBL4081648,228.6,COc1ccc2oc(=O)c(C(=O)Nc3cccc(O)c3)cc2c1 | |
| 1799,CHEMBL3415818,230.0,C#CCN(C)CC(=C)c1ccc(F)c(C)c1.O=C(O)C(=O)O | |
| 4064,CHEMBL4875710,230.0,COc1ccc2occ(/C=C/c3ccc(N(C)C)cc3)c(=O)c2c1 | |
| 4243,CHEMBL1568688,230.0,Oc1nc(SCc2cccc(Cl)c2)nc2ccccc12 | |
| 4810,CHEMBL5566877,230.0,Cc1cc(C)cc(CNC(=O)c2nc3ccc(O)cc3s2)c1 | |
| 364,CHEMBL1243181,230.0,C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc(C#N)cc3)cs2)C1 | |
| 3152,CHEMBL1568688,230.0,Oc1nc(SCc2cccc(Cl)c2)nc2ccccc12 | |
| 4060,CHEMBL4849229,230.0,COc1cc(/C=C/c2coc3ccccc3c2=O)cc(OC)c1OC | |
| 3205,CHEMBL4446092,230.0,CC(C)c1noc(-c2ccc(C3=NCCN3)cc2)n1 | |
| 306,CHEMBL1213717,231.02,COc1cccc(-c2csc(N/N=C3\CCC(C)C3)n2)c1 | |
| 2999,CHEMBL4217355,232.0,O=C1/C(=C/c2ccc(OCCCN3CCCCC3)cc2)Cc2ccc(OCc3ccc(Br)cc3)cc21 | |
| 546,CHEMBL1761764,233.73,COc1ccc2oc(=O)c(-c3ccsc3)cc2c1 | |
| 1613,CHEMBL3319260,234.0,O=C(Nc1ccc(F)c(Cl)c1)c1ccc2cn[nH]c2c1 | |
| 182,CHEMBL488075,236.0,C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 | |
| 3920,CHEMBL4757484,236.0,COc1ccc(-c2cnc3c4ncccc4nn3c2)cc1 | |
| 2801,CHEMBL4175062,237.0,CC1CCC(=NNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 | |
| 1166,CHEMBL2382439,238.0,COc1cccc(/C=C/CC(=O)Nc2nc3ccccc3c(=O)s2)c1 | |
| 554,CHEMBL1766619,238.6,O=c1c(Cc2ccc(Cl)cc2)coc2cc(Cl)cc(Cl)c12 | |
| 3668,CHEMBL4557483,239.0,Cc1ccccc1NC(=O)c1coc2ccccc2c1=O | |
| 1760,CHEMBL3417300,240.0,Cc1c(C)c2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2oc1=O | |
| 3253,CHEMBL4471841,240.0,C#CCNC1CCc2c(SCc3ccc(F)cc3)cccc21 | |
| 4710,CHEMBL5432117,240.0,O=C(Nc1ccccc1)c1coc2ccc(O)cc2c1=O | |
| 2255,CHEMBL3805010,241.11,CN(C)c1ncc(/C=C2\COc3ccccc3C2=O)cn1 | |
| 2161,CHEMBL3770343,242.0,O=C1COc2ccc(Cl)cc2C2CC(c3ccc(F)cc3)=NN12 | |
| 817,CHEMBL1946828,242.0,CN(C)c1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 | |
| 1063,CHEMBL2204765,242.0,CC(C)CCSc1ccc(C#N)c(C#N)c1 | |
| 3081,CHEMBL1383041,242.0,O=C1/C(=C/c2ccc(O)cc2)COc2ccccc21 | |
| 5047,CHEMBL5647105,243.0,COc1cc(Cl)c2c(=O)cc(-c3ccc(OCC(C)C)cc3)oc2c1 | |
| 561,CHEMBL451747,247.51,COc1ccc(/C=C2\COc3ccccc3C2=O)c(OC)c1 | |
| 1721,CHEMBL3402189,248.0,Clc1cccc(COc2ccc3c(c2)OCO3)c1 | |
| 3869,CHEMBL396778,249.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4646,CHEMBL5426461,249.0,Oc1cc(OCc2cccc(Cl)c2)ccc1CNc1ccccc1 | |
| 3333,CHEMBL4530960,250.0,Cc1c(C)c2ccc(OCC3CCN(CCCO[N+](=O)[O-])CC3)cc2oc1=O | |
| 3254,CHEMBL4451660,250.0,C#CCNC1CCc2c(NCc3ccc(C)cc3)cccc21 | |
| 92,CHEMBL509345,250.0,O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O | |
| 3088,CHEMBL4287036,250.0,Cc1ccc2oc(-c3cccc(Br)c3)cc2c1 | |
| 91,CHEMBL508698,250.0,O=C(Nc1cccc(F)c1)c1cc2ccccc2oc1=O | |
| 1371,CHEMBL3989843,250.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 4812,CHEMBL5557687,250.0,O=C(NCc1cccs1)c1nc2ccc(O)cc2s1 | |
| 1794,CHEMBL3415786,250.0,C#CCNCC(=C)c1cccc(COc2ccccc2)c1.O=C(O)C(=O)O | |
| 939,CHEMBL2088306,250.0,Cn1c(=O)c2c(nc(COc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 2047,CHEMBL3739905,251.14,O=C1CCOc2cc(OCCc3ccccc3)ccc21 | |
| 1886,CHEMBL1801962,253.0,COc1ccccc1C(=O)/C=C/c1ccccc1C(F)(F)F | |
| 2022,CHEMBL3736303,253.2,Cc1ccc2oc(=O)c(-c3ccccc3OCc3cccc(F)c3)cc2c1 | |
| 3553,CHEMBL4545912,256.0,C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc21 | |
| 2019,CHEMBL3734905,256.4,Cc1ccc2oc(=O)c(-c3ccccc3OCc3ccccc3)cc2c1 | |
| 2490,CHEMBL4102841,257.0,O=C1COC(c2ccc(/N=C/c3cccc(Cl)c3)cc2)=NN1 | |
| 2919,CHEMBL3094320,257.0,Cl.NCc1ccc(OCc2cccc(Cl)c2)cc1 | |
| 1401,CHEMBL3121774,258.0,C#CCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1 | |
| 3858,CHEMBL4741730,258.0,Cc1cc(OCc2cccc(F)c2)ccc1CN1CC[C@H]1C(N)=O | |
| 4801,CHEMBL5556728,258.0,COc1ccccc1CNC(=O)c1nc2ccc(O)cc2s1 | |
| 438,CHEMBL374237,259.0,CC1CCC(=NNc2nc(-c3ccccc3)cs2)CC1 | |
| 4368,CHEMBL1195259,260.0,C#CCNC1CCc2c(OC(=O)N(C)C)cccc21 | |
| 355,CHEMBL1243089,260.0,C[C@H]1CCC/C(=N/Nc2nc(-c3ccc(F)cc3F)cs2)C1 | |
| 4697,CHEMBL396778,260.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 4191,CHEMBL5207442,260.0,CCN(CC)Cc1ccc(/C=C2\Cc3cc(OC)ccc3C2=O)cc1 | |
| 4153,CHEMBL5072382,260.0,Cc1c(C)c2ccc(OCC3CCCN(CCCC(F)F)C3)cc2oc1=O | |
| 2629,CHEMBL4067752,262.0,O=[N+]([O-])/C=C/c1cccc(OCc2cccc(Br)c2)c1 | |
| 3000,CHEMBL4205653,262.0,O=C1/C(=C/c2ccc(OCCCN3CCCCC3)cc2)Cc2cc(OCc3ccc(Br)cc3)ccc21 | |
| 454,CHEMBL246811,262.0,Clc1ccc(-c2csc(NN=C3CCCC3)n2)cc1 | |
| 4715,CHEMBL5415156,262.0,Cc1ccc(NC(=O)c2coc3ccc(O)cc3c2=O)cc1C | |
| 542,CHEMBL1761760,262.95,COc1ccc2cc(-c3cccs3)c(=O)oc2c1 | |
| 3711,CHEMBL4546819,264.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)c(F)c2)n(C)c1=O | |
| 3041,CHEMBL4244643,264.0,C[C@H](Cc1ccc(OCc2cccc(Cl)c2)cc1)N(C)CC(=O)O | |
| 3498,CHEMBL4570780,264.9,CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cccc(F)c3)cc2oc1=O | |
| 1086,CHEMBL2312989,266.7,Cn1c(=O)c2c(cc(/C=C/c3ccc(Br)cc3)n2C)n(C)c1=O | |
| 1228,CHEMBL2418207,267.1,Clc1ccccc1-c1nc2ccc(N3CCCCC3)nc2o1 | |
| 4466,CHEMBL5267561,270.0,COc1ccc2c(=O)cc(-n3cnc4ccccc43)oc2c1 | |
| 3506,CHEMBL1818874,270.0,NC(=S)N/N=C/c1cccc(F)c1 | |
| 2378,CHEMBL2418205,270.0,Fc1cccc(-c2nc3ccc(N4CCCCC4)nc3o2)c1 | |
| 4117,CHEMBL2334460,270.0,C#CCNC1=CC(=O)c2ccccc2C1=O | |
| 3895,CHEMBL4794139,270.0,C#CCNC1CCc2c(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cccc21 | |
| 1858,CHEMBL972,270.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 5162,CHEMBL2418205,270.0,Fc1cccc(-c2nc3ccc(N4CCCCC4)nc3o2)c1 | |
| 3246,CHEMBL4590546,270.0,C#CCNC1CCc2c(OCCc3cc(NC(=O)CO)ccc3Cl)cccc21 | |
| 2440,CHEMBL4094880,270.0,CCN(CCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1 | |
| 1227,CHEMBL2418206,270.3,Fc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 2896,CHEMBL4213137,271.0,NC(=O)c1ccc(OCc2ccc(F)cc2)cc1 | |
| 1039,CHEMBL1927667,271.0,Cn1c(=O)c2c(nc(SCCc3ccccc3)n2C)n(C)c1=O | |
| 1226,CHEMBL2418205,271.8,Fc1cccc(-c2nc3ccc(N4CCCCC4)nc3o2)c1 | |
| 4428,CHEMBL4762982,272.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccc(OCc3ccccc3)cc2c1=O | |
| 3839,CHEMBL4762982,272.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccc(OCc3ccccc3)cc2c1=O | |
| 2628,CHEMBL4095173,273.0,O=[N+]([O-])/C=C/c1cccc(OCc2cccc(C(F)(F)F)c2)c1 | |
| 3589,CHEMBL4441456,274.0,Cc1c(C)c2ccc(OC3CCN(C)CC3)cc2oc1=O | |
| 1995,CHEMBL2420787,275.0,Cc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)o1 | |
| 3730,CHEMBL4559410,275.0,Cn1c(=O)c2c(nc3n2CCCCN3Cc2ccccc2Br)n(C)c1=O | |
| 1267,CHEMBL2420787,275.0,Cc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)o1 | |
| 2994,CHEMBL4205653,276.0,O=C1/C(=C/c2ccc(OCCCN3CCCCC3)cc2)Cc2cc(OCc3ccc(Br)cc3)ccc21 | |
| 3531,CHEMBL4441316,277.0,O=C(Nc1cc2cc[nH]c2cn1)c1ccc(F)c(F)c1 | |
| 5325,CHEMBL4441316,277.0,O=C(Nc1cc2cc[nH]c2cn1)c1ccc(F)c(F)c1 | |
| 4790,CHEMBL5532507,279.0,O=C(NCc1ccccc1F)c1nc2ccc(O)cc2s1 | |
| 4465,CHEMBL5280309,280.0,COc1ccc2c(=O)cc(-n3ccc4ccccc43)oc2c1 | |
| 4040,CHEMBL4877043,280.0,C#CCNC1CCc2c(SCCc3cccc(C(F)(F)F)c3)cccc21 | |
| 4764,CHEMBL5397142,280.0,COc1ccc(C(=O)c2sc3ccccc3c2O)cc1 | |
| 2830,CHEMBL4165326,280.0,C#CCNC1CCc2c(OCc3cccc(F)c3)cccc21 | |
| 1259,CHEMBL2417757,280.0,CN1N=C(c2ccccc2)CC1c1ccccc1F | |
| 1778,CHEMBL3415798,280.0,C#CCN(C)CC(=C)c1ccc(F)cc1.Cl | |
| 1474,CHEMBL3219200,280.0,C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1nccs1 | |
| 4804,CHEMBL5559540,282.0,Cc1cccc(CNC(=O)c2nc3ccc(O)cc3s2)c1 | |
| 3733,CHEMBL4483563,282.0,Cn1c(=O)c2c(nc3n2CCCCN3Cc2ccc(Cl)cc2Cl)n(C)c1=O | |
| 2916,CHEMBL4214069,283.0,COc1ccc(COc2ccc(CN)cc2)cc1.Cl | |
| 1866,CHEMBL3613271,283.0,O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1 | |
| 580,CHEMBL1783714,283.75,Cc1ccc2oc(=O)c(-c3ccccc3)cc2c1 | |
| 729,CHEMBL1783714,283.75,Cc1ccc2oc(=O)c(-c3ccccc3)cc2c1 | |
| 1496,CHEMBL1783714,283.75,Cc1ccc2oc(=O)c(-c3ccccc3)cc2c1 | |
| 1293,CHEMBL2430705,284.0,O=C1CCc2cc(OCCCc3ccccc3)ccc2N1 | |
| 2142,CHEMBL3769672,284.0,CC(=O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1 | |
| 452,CHEMBL1253614,284.0,Clc1ccc(-c2csc(NN=C3CCCC3)n2)c(Cl)c1 | |
| 2486,CHEMBL4100056,284.0,O=C1COC(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)=NN1 | |
| 3592,CHEMBL4466718,285.0,Cc1c(C)c2ccc(OC3CCN(Cc4cccc(Cl)c4)CC3)cc2oc1=O | |
| 2489,CHEMBL4070468,287.0,O=C1COC(c2ccc(/N=N/c3cccc(Cl)c3)cc2)=NN1 | |
| 2492,CHEMBL4089906,288.0,O=C1COC(c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)=NN1 | |
| 1268,CHEMBL2420786,288.0,Cc1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)o1 | |
| 723,CHEMBL1830148,289.0,N#Cc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 | |
| 4364,CHEMBL5171313,289.0,Fc1ccc(Cn2ccc3c(N4CCC(F)(F)CC4)nc4ccccc4c32)cc1 | |
| 3494,CHEMBL4521148,289.9,Cc1cc(=O)c(O)cn1Cc1cc2ccc(OCc3ccccc3)cc2oc1=O | |
| 2360,CHEMBL3884602,290.0,CN(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)N3CCCC3)cc2O)cc1 | |
| 2612,CHEMBL4067432,290.0,Cc1c(Cl)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12 | |
| 4739,CHEMBL2237017,290.0,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 | |
| 3227,CHEMBL3884602,290.0,CN(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)N3CCCC3)cc2O)cc1 | |
| 4738,CHEMBL4634695,290.0,COc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1 | |
| 4961,CHEMBL5572323,292.3,NC(=O)Cc1nc2cc(OCc3cccc(Cl)c3)ccc2[nH]1 | |
| 455,CHEMBL386941,296.0,c1ccc(-c2csc(NN=C3CCCC3)n2)cc1 | |
| 3597,CHEMBL4451548,297.0,Cc1c(C)c2ccc(OCC3CCN(C)CC3)cc2oc1=O.Cl | |
| 4647,CHEMBL5418090,297.0,Oc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CNc1ccccc1 | |
| 4632,CHEMBL5425310,297.0,N#Cc1cc(-c2ccc(F)cc2)ccc1NC(=O)c1ccccn1 | |
| 979,CHEMBL2151555,297.91,C/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccs1 | |
| 3615,CHEMBL4522235,298.0,Cc1c(C)c2ccc(OCCCN3CCc4ccccc4C3)cc2oc1=O.Cl | |
| 326,CHEMBL595,298.0,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 | |
| 4397,CHEMBL595,298.0,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 | |
| 2613,CHEMBL4088674,300.0,Cc1c(C#N)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12 | |
| 3539,CHEMBL4442920,300.0,C#CCN(C)Cc1ccc(Br)cc1 | |
| 2863,CHEMBL4214270,300.0,Oc1cc(Cl)ccc1NC(=S)Nc1ccc2[nH]ccc2c1 | |
| 1237,CHEMBL2417753,300.0,CN1N=C(c2ccc(O)cc2O)CC1c1ccccc1Cl | |
| 2451,CHEMBL2018439,300.0,O=c1c2ccccc2sc2cc(O)cc(O)c12 | |
| 4319,CHEMBL5178355,300.0,CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCCCC4)c(O)c3)ccc21 | |
| 3190,CHEMBL4443215,300.0,Cc1ccc(-c2noc(-c3ccc(C4=NCC(C)N4)cc3)n2)s1 | |
| 977,CHEMBL2151550,301.1,N#Cc1ccc(-c2csc(N/N=C\c3ccc4c(c3)OCO4)n2)cc1 | |
| 3500,CHEMBL4522440,301.3,Cc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O | |
| 816,CHEMBL596254,305.0,O=C1/C(=C/c2ccc(Cl)cc2)Oc2ccccc21 | |
| 2902,CHEMBL4205909,305.0,COc1cccc(COc2ccc(CCN)cc2)c1.Cl | |
| 2017,CHEMBL3735625,305.2,Cc1ccc(S(=O)(=O)Oc2cccc(-c3cc4cc(C)ccc4oc3=O)c2)cc1 | |
| 5035,CHEMBL5647322,308.0,COc1cc(F)cc2oc(-c3ccc(OCC(C)C)cc3)cc(=O)c12 | |
| 4627,CHEMBL5416870,308.0,COc1cc(COc2ccc(-c3nc(-c4ccc5[nH]ncc5c4)no3)cc2)cc(OC)c1OC | |
| 3720,CHEMBL4554986,310.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)c(C(F)(F)F)c2)n(C)c1=O | |
| 1829,CHEMBL3585853,310.0,C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(Cl)ccc2O)cc1 | |
| 1830,CHEMBL3585851,310.0,C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(OC)ccc2O)cc1 | |
| 1833,CHEMBL3585846,310.0,C#CCN(C)[C@H](C)Cc1ccc(NCc2ncccc2OC)cc1 | |
| 2357,CHEMBL2263059,310.0,CN(C)c1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 | |
| 838,CHEMBL2029531,310.0,COc1ccc(OC/C(F)=C\CN)cc1 | |
| 2133,CHEMBL3769812,311.0,CC(=O)c1ccc(OCc2ccccc2Cl)cc1 | |
| 3724,CHEMBL4563999,313.0,Cc1cccc(CN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 | |
| 2268,CHEMBL3900500,316.0,N#Cc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1 | |
| 3947,CHEMBL4792289,316.0,C#CCN1CCC(COC(=O)Nc2ccc(C(C)C)cc2)CC1 | |
| 1612,CHEMBL3319261,316.0,O=C(Nc1ccc(Cl)c(F)c1)c1ccc2cn[nH]c2c1 | |
| 3164,CHEMBL4434918,318.0,N#Cc1ccc(-c2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1 | |
| 984,CHEMBL2151660,319.82,C/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1ccco1 | |
| 1305,CHEMBL2396876,320.0,COc1ccc2c(c1)C=C(/C=C/C(=O)c1ccccc1OC)CO2 | |
| 5050,CHEMBL5646671,320.0,COc1cc(Cl)cc2oc(-c3ccc(CC(C)C)cc3)cc(=O)c12 | |
| 3316,CHEMBL4444006,320.0,Cc1c(C)c2ccc(OCc3cccc(CN4CCC(CO)CC4)c3)cc2oc1=O | |
| 4440,CHEMBL5282774,320.0,CCc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)cc1 | |
| 4034,CHEMBL4853325,320.0,C#CCNC1CCc2c(SCc3ccc(C)cc3)cccc21 | |
| 1852,CHEMBL3605366,320.0,CN1CCc2c(c3ccccc3n2CCCCCCn2c3c(c4ccccc42)CN(C)CC3)C1 | |
| 3852,CHEMBL4786983,320.0,C#CCN(Cc1ccc(OCc2cccc(F)c2)cc1C)[C@@H](C)C(N)=O | |
| 4441,CHEMBL5268307,320.0,O=C(/C=C/c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 | |
| 4439,CHEMBL5268376,320.0,Cc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)cc1 | |
| 2169,CHEMBL972,321.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 1815,CHEMBL3586582,321.0,Cc1c(C)c2ccc(OCCCCCCN(C)Cc3ccccc3)cc2oc1=O | |
| 3898,CHEMBL4786924,323.0,C#CCN(C)Cc1ccc(OCCCCN2CCN(c3cccc4c3ccn4Cc3cccc(Cl)c3)CC2)cc1 | |
| 4851,CHEMBL5563200,324.0,COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 | |
| 1379,CHEMBL3121864,325.0,COC(=O)c1cc2cc(OC/C=C(\C)CCC=C(C)C)ccc2oc1=O | |
| 2829,CHEMBL4162029,330.0,C#CCNC1CCc2c(OCc3cccc(Cl)c3)cccc21 | |
| 4371,CHEMBL1193856,330.0,C#CCN(C)C1CCc2cccc(OC(=O)N(C)C)c21 | |
| 4930,CHEMBL3182446,330.0,O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 | |
| 2446,CHEMBL4085819,330.0,CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1 | |
| 1571,CHEMBL3354978,330.0,COC[C@@H]1CN(c2noc3cc(OCCCF)ccc23)C(=O)O1 | |
| 4065,CHEMBL4871027,330.0,COc1ccc2occ(/C=C/c3ccc(O)cc3)c(=O)c2c1 | |
| 1998,CHEMBL3735467,330.0,COc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cn1 | |
| 571,CHEMBL1766553,331.11,O=C1/C(=C/c2ccccc2)COc2ccc(Cl)cc21 | |
| 754,CHEMBL1927668,332.0,Cn1c(=O)c2c(nc(SCCOc3ccccc3)n2C)n(C)c1=O | |
| 5044,CHEMBL5639156,332.0,COc1cc(Cl)c2c(=O)cc(-c3ccc(CC(C)C)cc3)oc2c1 | |
| 933,CHEMBL2088300,334.0,Cn1c(=O)c2c(nc(COc3cccc(Cl)c3)n2C)n(C)c1=O | |
| 4643,CHEMBL5394462,334.0,Oc1cc(OCc2ccccc2F)ccc1CNc1ccccc1 | |
| 1100,CHEMBL972,334.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2208,CHEMBL3786747,334.0,CCN(CC)c1ccc(/C=C2\Oc3cc(O)cc(O)c3C2=O)cc1 | |
| 1225,CHEMBL2418208,334.5,Clc1cccc(-c2nc3ccc(N4CCCCC4)nc3o2)c1 | |
| 1614,CHEMBL3319259,335.0,O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2cn[nH]c2c1 | |
| 3492,CHEMBL4469018,335.7,Cc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccccc3)cc2oc1=O | |
| 5057,CHEMBL5641820,336.0,C#CCOc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1 | |
| 2506,CHEMBL4088573,338.0,Cc1cccc(/C=C/c2ccc(C3=NNC(=O)CO3)cc2)c1 | |
| 985,CHEMBL2151661,338.35,Fc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1 | |
| 3093,CHEMBL4290868,340.0,Brc1ccc(-c2cc3ccccc3o2)cc1 | |
| 2211,CHEMBL1814450,340.0,O=C1/C(=C/c2ccc(N3CCOCC3)cc2)Oc2cc(O)cc(O)c21 | |
| 1235,CHEMBL2417755,340.0,CN1N=C(c2ccc(O)cc2O)CC1c1ccc(Cl)cc1 | |
| 4543,CHEMBL5277488,342.0,CC1CCCCN1c1ccc(/C=N/Nc2ccccc2)cc1 | |
| 3260,CHEMBL4576799,342.2,C#CCN1CCC(/C=C/c2ccc(F)cc2)CC1 | |
| 3727,CHEMBL4550899,343.0,Cn1c(=O)c2c(nc3n2CCCCN3Cc2ccccc2Cl)n(C)c1=O | |
| 4648,CHEMBL5403831,343.0,COc1cccc(COc2ccc(CNc3ccccc3)c(O)c2)c1 | |
| 4711,CHEMBL5425546,344.0,Cc1ccc(NC(=O)c2coc3ccc(O)cc3c2=O)cc1 | |
| 1265,CHEMBL2420789,344.0,Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2)o1 | |
| 3705,CHEMBL241618,344.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2cccc(Cl)c2)n(C)c1=O | |
| 1346,CHEMBL241618,344.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2cccc(Cl)c2)n(C)c1=O | |
| 1107,CHEMBL2333926,346.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 | |
| 3713,CHEMBL4533073,346.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(F)c(Br)c2)n(C)c1=O | |
| 757,CHEMBL1461072,348.0,Cn1c(=O)c2c(nc(SCc3ccc(F)cc3)n2C)n(C)c1=O | |
| 2167,CHEMBL3769793,348.0,CC1Oc2ccccc2C2CC(c3ccccc3Cl)=NN2C1=O | |
| 1730,CHEMBL3402201,348.0,Clc1ccc(OCCOc2ccc3c(c2)OCCO3)cc1 | |
| 1792,CHEMBL3415784,350.0,C#CCN(C)CC(=C)c1cccc(COc2cccc(OC)c2)c1.O=C(O)C(=O)O | |
| 4562,CHEMBL5284279,350.0,O=C1/C(=C(\O)c2cccc(Br)c2)Sc2ccccc21 | |
| 2775,CHEMBL4167140,350.0,Brc1ccc(COc2cccc(Br)c2)cc1 | |
| 2445,CHEMBL4072860,350.0,CN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1 | |
| 4765,CHEMBL5401875,350.0,O=C(c1cccc(Br)c1)c1sc2ccccc2c1O | |
| 4158,CHEMBL5094348,350.0,Cc1c(C)c2ccc(OCCCN(Cc3cccc(F)c3)C(C)C)cc2oc1=O | |
| 988,CHEMBL2151664,350.7,C/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 | |
| 2794,CHEMBL4170390,351.0,CC/C(C)=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 2806,CHEMBL4165922,355.0,CCCCC/C(CC)=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 1224,CHEMBL2418210,356.0,c1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1 | |
| 1223,CHEMBL2418213,357.9,Clc1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1 | |
| 3250,CHEMBL4177176,360.0,C#CCNC1CCc2c(OCCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)cccc21 | |
| 1843,CHEMBL3605357,360.0,COc1ccc2c(c1)c1cnccc1n2CCCCCCCCCn1c2ccncc2c2cc(OC)ccc21 | |
| 4556,CHEMBL5267189,360.0,CCCCn1c2cc(OCc3cn(Cc4ccccc4Cl)nn3)ccc2c2ccnc(C)c21 | |
| 431,CHEMBL1253762,362.0,CC1CCC(=NNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 | |
| 1000,CHEMBL2158248,364.0,O=C1NC(=O)c2cc(Sc3ccc(Br)cc3)ccc21 | |
| 3734,CHEMBL4517303,364.0,Cn1c(=O)c2c(nc3n2CCCCN3Cc2ccc(Cl)cc2)n(C)c1=O | |
| 1957,CHEMBL3935026,365.0,Cn1cncc1C#Cc1ccc2c(=O)c(-c3ccc(CN[SH](=O)=O)cc3)coc2c1 | |
| 5090,CHEMBL3935026,365.0,Cn1cncc1C#Cc1ccc2c(=O)c(-c3ccc(CN[SH](=O)=O)cc3)coc2c1 | |
| 4651,CHEMBL5416185,366.0,Cc1ccc(COc2ccc(CNc3ccccc3)c(O)c2)cc1 | |
| 980,CHEMBL2151556,366.21,C/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1 | |
| 3954,CHEMBL4791284,366.3,C#CCN(C)CCCCOc1ccc2c(c1)CCC2=O | |
| 5034,CHEMBL5639741,367.0,C=CCOc1ccc(-c2cc(=O)c3c(OC)cc(F)cc3o2)cc1 | |
| 1688,CHEMBL3394534,369.0,Cc1c(C)c2ccc(/N=C/c3ccc(O)cc3O)cc2oc1=O | |
| 4986,CHEMBL5596159,370.0,C#CCNc1ccccc1-c1cc(-c2ccc(OCCN3CCCCC3)cc2)nc(N)n1 | |
| 2439,CHEMBL4093991,370.0,CN(CCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1 | |
| 882,CHEMBL2058427,370.0,C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C | |
| 3262,CHEMBL4534686,370.1,C#CCN1CCC(CCc2ccc(F)cc2)CC1 | |
| 1093,CHEMBL2313294,370.2,COc1cccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | |
| 4833,CHEMBL5567948,371.0,Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(-c4ccccc4)cc3)nn2)cc1F | |
| 3728,CHEMBL4579508,371.0,Cn1c(=O)c2c(nc3n2CCCCN3Cc2cccc(Br)c2)n(C)c1=O | |
| 4531,CHEMBL5279769,372.0,O=c1cc(OCCN2CCOCC2)c2ccccc2o1 | |
| 1523,CHEMBL3264956,375.71,CC1CC/C(=N\Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 | |
| 2257,CHEMBL3896947,376.0,O=C1/C(=C/c2ccccc2)Cc2cc(O)ccc21 | |
| 1377,CHEMBL3121866,377.0,C#CCNCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1 | |
| 3716,CHEMBL4517925,377.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)cc2F)n(C)c1=O | |
| 3351,CHEMBL4301944,379.0,CCC(C)(C)c1ccc(OCCCCN2CCCCC2)cc1 | |
| 4535,CHEMBL5283324,380.0,CCCCOc1ccc(C2=NN(C(N)=S)C(c3ccccc3)C2)cc1 | |
| 4970,CHEMBL5591274,380.0,O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)Oc2cc(O)ccc21 | |
| 108,CHEMBL471221,380.0,Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C | |
| 4522,CHEMBL253777,380.0,COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)cc1 | |
| 2733,CHEMBL1384623,380.0,Nc1nn(-c2ccccc2)nc1C(=O)OCc1ccccc1 | |
| 2447,CHEMBL4064264,380.0,COc1ccccc1CN(C)CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1 | |
| 603,CHEMBL1806765,381.0,CC(C)CCCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C | |
| 601,CHEMBL1806763,383.0,Cn1c(=O)c2c(nc(OCCOc3ccccc3)n2C)n(C)c1=O | |
| 4993,CHEMBL5613964,384.0,C#CCN1CCN(CCCOc2ccc3c(ccn3S(=O)(=O)c3ccc(C(=O)NNCCC)cc3)c2)CC1 | |
| 3641,CHEMBL4442891,385.0,Cn1c(=O)c2c(nc3n2CCN(c2cccc(Cl)c2)C3)n(C)c1=O | |
| 3890,CHEMBL4744451,385.0,O=c1c2ccccc2oc2ccc(OCCCCCCN3CCCCCC3)cc12 | |
| 4837,CHEMBL5568453,386.67,Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCCCC4)cc3)nn2)cc1F | |
| 2924,CHEMBL4214881,387.0,Cl.NCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 | |
| 1693,CHEMBL3394529,388.0,Cc1cc(=O)oc2cc(/N=C/c3ccc(Br)cc3O)ccc12 | |
| 1618,CHEMBL3319255,388.0,O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ncc2c1 | |
| 1169,CHEMBL2382435,389.0,COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1 | |
| 3355,CHEMBL4303004,390.0,CCC(C)(C)c1ccc(OCCCCCCN2CCCCCC2)cc1 | |
| 2450,CHEMBL4066985,390.0,CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccc(N(C)C)cc1 | |
| 5335,CHEMBL5920551,390.0,NC1CC1c1cccc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2)c1 | |
| 2209,CHEMBL3786282,391.0,O=C1/C(=C/c2ccc(N3CCCC3)cc2)Oc2cc(O)cc(O)c21 | |
| 2498,CHEMBL4060152,392.0,O=C1COC(c2ccc(/N=N/c3ccc(Cl)cc3)cc2)=NN1 | |
| 4415,CHEMBL3263556,393.0,O=C1/C(=C/c2ccc(N3CCCCC3)cc2)Oc2cc(O)cc(O)c21 | |
| 2210,CHEMBL3263556,393.0,O=C1/C(=C/c2ccc(N3CCCCC3)cc2)Oc2cc(O)cc(O)c21 | |
| 2908,CHEMBL4218134,396.0,Cl.NCCc1ccc(OCc2ccccc2F)cc1 | |
| 3718,CHEMBL4537668,396.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2cccc(Br)c2)n(C)c1=O | |
| 3912,CHEMBL4794759,397.0,COc1cccc(-c2cnc3c4cccnc4nn3c2)c1 | |
| 275,CHEMBL589765,397.0,Cc1cccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | |
| 4792,CHEMBL5562447,397.0,O=C(NCc1ccc(F)cc1)c1nc2ccc(O)cc2s1 | |
| 613,CHEMBL1643120,400.0,O=C(Nc1ccccc1)c1coc2ccccc2c1=O | |
| 1782,CHEMBL3415613,400.0,C#CCN(C)CC(=C)c1cccc(COc2ccccc2)c1.O=C(O)C(=O)O | |
| 507,CHEMBL1643120,400.0,O=C(Nc1ccccc1)c1coc2ccccc2c1=O | |
| 1328,CHEMBL3093174,401.0,COc1ccc(/C=C2\COc3cc(OCCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)cc1 | |
| 2009,CHEMBL3736142,401.3,CC(=O)Oc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1 | |
| 2914,CHEMBL4204803,402.0,Cl.Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | |
| 4835,CHEMBL5561414,402.57,Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCCC4)cc3)nn2)cc1F | |
| 722,CHEMBL1830147,407.0,N#Cc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1 | |
| 3715,CHEMBL4574192,407.0,COc1ccc(CN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Cl | |
| 5154,CHEMBL3979032,410.0,c1ccc(-c2nc3ccc(N4CCCC4)nc3o2)cc1 | |
| 5017,CHEMBL5624766,410.0,CCCCCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)ccc4O)CC3=O)ccc21 | |
| 2370,CHEMBL3979032,410.0,c1ccc(-c2nc3ccc(N4CCCC4)nc3o2)cc1 | |
| 349,CHEMBL1243214,410.0,CC1CCC/C(=N/Nc2nc(-c3ccc(F)cc3)cs2)C1 | |
| 360,CHEMBL1243150,410.0,CC1CCC/C(=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 | |
| 2730,CHEMBL4128848,410.0,O=C(Nc1nc2cccc(Cl)c2[nH]1)c1ccccc1 | |
| 671,CHEMBL1830827,410.0,O=C(O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O | |
| 3203,CHEMBL4448928,411.0,CC(C)(C)c1ccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1 | |
| 3712,CHEMBL4579395,411.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(F)cc2Cl)n(C)c1=O | |
| 1681,CHEMBL3394541,413.0,Cc1c(C)c2ccc(NCc3ccccc3O)cc2oc1=O | |
| 4872,CHEMBL5575196,413.4,CN(C)Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12 | |
| 3347,CHEMBL4557594,417.0,CCC(C)(C)c1ccc(OCCCN2CCCC(C)(C)C2)cc1 | |
| 3277,CHEMBL4471244,417.6,C#CCN1CCC(/C=C/c2ccc(F)cc2Cl)CC1 | |
| 1877,CHEMBL2236844,419.0,COc1ccc(C(=O)/C=C/c2ccccc2OC)cc1 | |
| 4169,CHEMBL5079544,420.0,CN(CCCO)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | |
| 365,CHEMBL1243182,420.0,C[C@H]1CCC/C(=N/Nc2nc(-c3ccc(C#N)cc3)cs2)C1 | |
| 3965,CHEMBL4783426,422.0,C#CCN(C)CCCCCCCCOc1ccc2c(c1)OCCC2=O | |
| 4644,CHEMBL5438301,423.0,Oc1cc(OCc2ccccc2Cl)ccc1CNc1ccccc1 | |
| 3495,CHEMBL4475910,424.6,CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O | |
| 3626,CHEMBL4556578,425.0,Cn1c(=O)c2c(nc3n2CCN(CCc2ccc(Cl)cc2C(F)(F)F)C3)n(C)c1=O | |
| 3717,CHEMBL4569201,426.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Br)cc2F)n(C)c1=O | |
| 3665,CHEMBL4589080,427.0,O=C(Nc1ccccc1Cl)c1coc2ccccc2c1=O | |
| 4823,CHEMBL5557017,428.0,COc1ccc2nc(C(=O)NC3CCCCC3)sc2c1 | |
| 3346,CHEMBL4560631,428.0,CCC(C)(C)c1ccc(OCCCN2CCCC(C)C2)cc1 | |
| 4513,CHEMBL5276745,430.0,COC(=O)C(C)c1ccc(-c2ccc(C(=O)/C=C/c3ccc(CN4CCOCC4)c(O)c3)cc2)c(F)c1 | |
| 4511,CHEMBL5275006,430.0,CCN1CCN(Cc2ccc(/C=C/C(=O)c3ccc(-c4ccc(C(C)C(=O)OC)cc4F)cc3)cc2O)CC1 | |
| 1835,CHEMBL3585856,430.0,C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(O)ccc2O)cc1 | |
| 4516,CHEMBL5277373,430.0,CCN(CC)Cc1ccc(/C=C/C(=O)c2ccc(-c3ccc(C(C)C(=O)OC)cc3F)cc2)cc1O | |
| 4515,CHEMBL5285101,430.0,COC(=O)C(C)c1ccc(-c2ccc(C(=O)/C=C/c3ccc(CN4CCN(C)CC4)c(O)c3)cc2)c(F)c1 | |
| 4514,CHEMBL5271643,430.0,COC(=O)C(C)c1ccc(-c2ccc(C(=O)/C=C/c3ccc(CN(C)C)c(O)c3)cc2)c(F)c1 | |
| 4517,CHEMBL5270203,430.0,COC(=O)C(C)c1ccc(-c2ccc(C(=O)/C=C/c3ccc(CN4CCCC4)c(O)c3)cc2)c(F)c1 | |
| 2752,CHEMBL4160195,430.0,Cc1c2c(nn1-c1ccc(/C=N/NC(=S)Nc3ccc(Cl)cc3)cc1)-c1ccccc1S(=O)(=O)N2C | |
| 4512,CHEMBL5285157,430.0,COC(=O)C(C)c1ccc(-c2ccc(C(=O)/C=C/c3ccc(CN4CCCCC4)c(O)c3)cc2)c(F)c1 | |
| 1082,CHEMBL2313284,430.3,Cn1c(=O)c2c(nc(/C=C/c3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 4143,CHEMBL5083991,431.0,NC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(OCc2cccc(F)c2)cc1 | |
| 1089,CHEMBL2313298,431.5,Cn1c(=O)c2c(cc(/C=C/c3ccc(C(F)(F)F)cc3)n2C)n(C)c1=O | |
| 2500,CHEMBL4098543,433.0,O=C1COC(c2ccc(/N=C/c3ccc(Cl)cc3)cc2)=NN1 | |
| 4652,CHEMBL5399743,435.0,CC(C)(C)c1ccc(COc2ccc(CNc3ccccc3)c(O)c2)cc1 | |
| 974,CHEMBL2151546,435.91,C/C(=N/Nc1nc(-c2ccc(C#N)cc2)cs1)c1ccncc1 | |
| 3263,CHEMBL4476198,436.2,C#CCN1CCC(/C=C/c2cc(F)c(F)cc2F)CC1 | |
| 1326,CHEMBL3093176,437.0,COc1ccc(/C=C2\COc3cc(OCCCCCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)cc1 | |
| 4794,CHEMBL5558983,437.0,O=C(NCc1cccc(Cl)c1)c1nc2ccc(O)cc2s1 | |
| 3168,CHEMBL4576407,439.0,NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)ccc1Cl | |
| 398,CHEMBL1254625,440.0,O=C(/C=C/c1cccc(Cl)c1)Oc1ccc2c(c1)CC(=O)O2 | |
| 4971,CHEMBL5594382,440.0,O=C1/C(=C/c2ccc(OCc3ccccc3Br)cc2)Oc2cc(O)ccc21 | |
| 4914,CHEMBL5565806,440.0,O=C1C(c2cc(-c3cccc(F)c3)no2)=CS(=O)(=O)c2ccccc21 | |
| 1793,CHEMBL3415785,440.0,C#CCN(C)CC(=C)c1cccc(COc2ccc(OC)cc2)c1.O=C(O)C(=O)O | |
| 2918,CHEMBL3094311,440.0,Cl.NCc1ccc(OCc2ccc(Cl)cc2)cc1 | |
| 4962,CHEMBL5591978,443.3,NC(=O)Cc1nc2cc(OCc3ccc(Cl)cc3)ccc2[nH]1 | |
| 3591,CHEMBL4569054,445.0,Cc1c(C)c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2oc1=O | |
| 707,CHEMBL1830132,447.0,O=C(/C=C/c1ccccc1)Nc1cccc(Br)c1 | |
| 891,CHEMBL463249,447.0,CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O | |
| 3233,CHEMBL4516218,448.0,O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCCc1ccccc1 | |
| 1059,CHEMBL2204769,449.0,N#Cc1ccc(SCc2ccc(F)cc2)cc1 | |
| 1273,CHEMBL2420783,449.0,Cc1ccc(C(=O)/C=C/c2cccc(Br)c2)o1 | |
| 509,CHEMBL1643122,450.0,COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 | |
| 144,CHEMBL489720,450.0,COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 | |
| 2170,CHEMBL396778,450.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 839,CHEMBL2029532,450.0,NC/C=C(/F)COc1ccc(Oc2ccccc2)cc1 | |
| 861,CHEMBL2058694,450.0,O=C1NC(=S)N/C1=C\c1c[nH]c2cccc(Br)c12 | |
| 4938,CHEMBL5574853,450.0,COc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1Cl | |
| 2920,CHEMBL3094319,452.0,Cl.NCc1ccc(OCc2ccc(F)cc2)cc1 | |
| 2166,CHEMBL3770032,452.0,CC1Oc2ccccc2C2CC(c3ccc(Cl)cc3)=NN2C1=O | |
| 1001,CHEMBL2158247,457.0,O=C1NC(=O)c2cc(Sc3ccc(Cl)cc3)ccc21 | |
| 3896,CHEMBL4754407,460.0,C#CCNC1CCc2c(OCCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cccc21 | |
| 2448,CHEMBL4077948,460.0,CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1OC | |
| 112,CHEMBL469768,460.0,O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2oc1=O | |
| 2163,CHEMBL3769971,467.0,COc1ccc(C2=NN3C(=O)COc4c(Br)cc(Br)cc4C3C2)cc1 | |
| 2610,CHEMBL4078343,470.0,O=c1ccc2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2o1 | |
| 4766,CHEMBL5415052,470.0,Cc1ccc(C(=O)c2sc3ccccc3c2O)cc1 | |
| 1173,CHEMBL2382431,470.0,COc1cccc(/C=C/C(=O)Nc2nc3ccccc3c(=O)s2)c1 | |
| 143,CHEMBL490923,470.0,CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 | |
| 3235,CHEMBL4540338,471.0,N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 | |
| 1883,CHEMBL34398,471.0,COc1ccc(C(=O)/C=C/c2ccccc2)cc1 | |
| 1026,CHEMBL2206099,471.0,Cn1c(=O)c2c(nc([S+]([O-])CCc3ccc(Br)cc3)n2C)n(C)c1=O | |
| 2272,CHEMBL3918471,471.0,COc1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1 | |
| 566,CHEMBL1766557,476.51,COc1ccc(/C=C2\COc3ccccc3C2=O)cc1O | |
| 428,CHEMBL1253764,477.0,Clc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1 | |
| 4965,CHEMBL673,479.3,C#CCN(C)Cc1ccccc1 | |
| 579,CHEMBL1766549,479.7,O=C1/C(=C/c2ccccc2)COc2ccccc21 | |
| 4167,CHEMBL4464759,480.0,Cc1c(C)c2ccc(OCC3CCN(CCCO)CC3)cc2oc1=O | |
| 1092,CHEMBL2313295,480.0,Cn1c(=O)c2c(cc(/C=C/c3cccc(C(F)(F)F)c3)n2C)n(C)c1=O | |
| 4987,CHEMBL5597025,480.0,C#CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)nc(-c2ccccc2)n1 | |
| 3247,CHEMBL4551190,480.0,C#CCNC1CCc2c(OCCc3cc(NC(=O)COC(C)=O)ccc3Cl)cccc21 | |
| 5089,CHEMBL972,480.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3324,CHEMBL4468552,480.0,Cc1cc(=O)oc2cc(OCC3CCN(Cc4cccc(CO)c4)CC3)ccc12 | |
| 1912,CHEMBL972,480.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 238,CHEMBL607571,480.0,COc1ccc(-c2cc(=S)c3ccccc3o2)cc1 | |
| 3329,CHEMBL4464759,480.0,Cc1c(C)c2ccc(OCC3CCN(CCCO)CC3)cc2oc1=O | |
| 4642,CHEMBL5428123,481.0,Oc1cc(OCc2ccccc2)ccc1CNc1ccccc1 | |
| 1691,CHEMBL3394531,481.0,Cc1c(Cl)c(=O)oc2cc(/N=C/c3ccccc3O)ccc12 | |
| 3148,CHEMBL1701338,482.0,Oc1nc(SCc2ccc(Cl)cc2)nc2ccccc12 | |
| 990,CHEMBL2151666,482.16,Fc1ccc(-c2csc(N/N=C\c3cccnc3)n2)cc1 | |
| 1040,CHEMBL43185,483.0,O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 | |
| 563,CHEMBL1766561,483.88,Nc1cc(/C=C2\COc3ccccc3C2=O)ccc1O | |
| 1060,CHEMBL2204768,484.0,N#Cc1ccc(SCc2ccc(Br)cc2)cc1 | |
| 1130,CHEMBL2332182,486.35,COc1cc(/C=C/C=C/C(=O)c2c(O)cccc2OC)ccc1O | |
| 4035,CHEMBL4868008,488.0,C#CCNC1CCc2c(SCc3ccc(Br)cc3)cccc21 | |
| 1992,CHEMBL2420693,490.0,Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2)o1 | |
| 1239,CHEMBL2417749,490.0,CN1N=C(c2ccc(O)cc2O)CC1c1ccc(F)cc1 | |
| 36,CHEMBL2094026,490.0,Cl.NCC[C@H]1C[C@]1(F)c1ccccc1 | |
| 1275,CHEMBL2420693,490.0,Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2)o1 | |
| 564,CHEMBL1766560,490.84,O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)COc2ccccc21 | |
| 314,CHEMBL1213911,493.83,COc1cccc(-c2csc(N/N=C/c3cccs3)n2)c1 | |
| 1045,CHEMBL2203919,497.0,CC1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 | |
| 1023,CHEMBL2206102,500.0,Cn1c(=O)c2c(nc(SCCCc3ccccc3)n2C)n(C)c1=O | |
| 252,CHEMBL600597,500.0,Cc1ccc(C2CC(=O)c3ccc(C)cc3O2)cc1 | |
| 2727,CHEMBL1411671,500.0,Cc1ccccc1COC(=O)c1nn(-c2ccccc2)nc1N | |
| 145,CHEMBL490922,500.0,O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 | |
| 83,CHEMBL472080,500.0,O=C(NC1CCCCC1)c1cc2ccccc2oc1=O | |
| 1131,CHEMBL2332181,501.66,COc1cc(/C=C/C=C/C(=O)c2ccccc2O)ccc1O | |
| 3295,CHEMBL4539823,501.8,C#CCN1CCC(CCc2cccc(C(F)(F)F)c2)CC1 | |
| 2160,CHEMBL3771168,504.0,O=C1COc2ccc(Cl)cc2C2CC(c3ccc(Cl)cc3)=NN12 | |
| 4247,CHEMBL257990,506.7,N[C@H]1C[C@@H]1c1ccccc1 | |
| 4982,CHEMBL5594046,510.0,O=C(/C=C/c1ccccc1Cl)c1cc2ccccc2oc1=O | |
| 1694,CHEMBL3394528,512.0,Cc1ccc(/C=N/c2ccc3c(C)cc(=O)oc3c2)c(O)c1 | |
| 2586,CHEMBL4091517,512.6,Cc1ccc2occ(C(=O)Nc3ccc(O)cc3)c(=O)c2c1 | |
| 1722,CHEMBL144555,513.0,c1ccc(COc2ccc3c(c2)OCO3)cc1 | |
| 3706,CHEMBL4521398,515.0,Cn1c(=O)c2c(nc3n2CCN3Cc2ccc(Cl)c(Cl)c2)n(C)c1=O | |
| 1327,CHEMBL3093175,518.0,COc1ccc(/C=C2\COc3cc(OCCCCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)cc1 | |
| 1104,CHEMBL2333929,519.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 | |
| 1832,CHEMBL3585847,520.0,C#CCN(C)[C@H](C)Cc1ccc(NCc2ncccc2C)cc1 | |
| 2113,CHEMBL3769586,523.46,CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1ccc(Cl)c(Cl)c1 | |
| 1278,CHEMBL2377627,529.0,O=C(/C=C/c1cccc(Cl)c1)c1ccccc1 | |
| 1990,CHEMBL2377627,529.0,O=C(/C=C/c1cccc(Cl)c1)c1ccccc1 | |
| 959,CHEMBL2151688,529.48,Fc1ccc(-c2csc(N/N=C\c3c[nH]c4ccccc34)n2)c(F)c1 | |
| 2611,CHEMBL4096387,530.0,Cc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12 | |
| 4904,CHEMBL5567284,530.0,Cc1cccc(-c2cc(-c3csc4ccccc4c3=O)on2)c1 | |
| 3806,CHEMBL887,530.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 2781,CHEMBL4165641,530.0,O=Cc1cccc(OCc2cccc(Br)c2)c1 | |
| 224,CHEMBL598321,530.0,Cc1ccc([C@H]2CC(=O)c3ccc(C)cc3O2)cc1 | |
| 3851,CHEMBL4790118,530.0,C#CCN(Cc1ccc(OCc2cccc(F)c2)cc1)[C@@H](C)C(N)=O | |
| 4156,CHEMBL5081574,530.0,Cc1c(C)c2ccc(OCC3CCN(CCCC(F)F)CC3)cc2oc1=O | |
| 1061,CHEMBL2204767,531.0,N#Cc1ccc(SCc2ccc(Cl)cc2)cc1 | |
| 706,CHEMBL1830131,532.0,O=C(/C=C/c1ccccc1)Nc1cccc(Cl)c1 | |
| 3018,CHEMBL4247011,532.0,CN(CC(=O)O)[C@H](CC#N)Cc1ccc(OCc2ccccc2)cc1 | |
| 1398,CHEMBL3121777,535.0,C#CCCCOc1ccc2cc(C(=O)c3ccc(OC)cc3)c(=O)oc2c1 | |
| 3681,CHEMBL4538163,538.0,Cc1ccc(SC(=O)c2coc3ccccc3c2=O)cc1 | |
| 5327,CHEMBL5873037,540.0,NC1CC1c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 | |
| 1759,CHEMBL3417301,540.0,Cc1cc2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2oc1=O | |
| 2998,CHEMBL4218833,541.0,O=C1/C(=C/c2ccc(OCCCN3CCCCC3)cc2)Cc2cc(F)ccc21 | |
| 2499,CHEMBL4082044,542.0,O=C1COC(c2ccc(/C=C/c3ccc(Cl)cc3)cc2)=NN1 | |
| 1680,CHEMBL3394542,542.0,Cc1c(Cl)c(=O)oc2cc(NCc3ccccc3O)ccc12 | |
| 1261,CHEMBL2420792,543.0,O=C(/C=C/c1ccc(Br)o1)c1ccc(F)cc1 | |
| 1083,CHEMBL2313279,543.3,Cn1c(=O)c2c(cc(/C=C/c3ccc(C#N)cc3)n2C)n(C)c1=O | |
| 956,CHEMBL2151684,548.85,Fc1ccc(-c2csc(N/N=C\c3ccncc3)n2)c(F)c1 | |
| 3601,CHEMBL4582505,549.0,Cc1c(C)c2ccc(OCC3CCN(Cc4ccc(C#N)cc4)CC3)cc2oc1=O.Cl | |
| 3294,CHEMBL4446154,549.7,C#CCN1CCC(/C=C/c2cccc(C(F)(F)F)c2)CC1 | |
| 4767,CHEMBL5401572,550.0,O=C(c1cccc(Cl)c1)c1sc2ccccc2c1O | |
| 832,CHEMBL534756,550.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1 | |
| 2198,CHEMBL3780640,550.0,O=C(/C=C/c1cccc2c1OCO2)c1cccc(C(F)(F)F)c1 | |
| 2833,CHEMBL4172053,550.0,C#CCNC1CCc2c(OCc3cccc(C)c3)cccc21 | |
| 3334,CHEMBL4578377,550.0,Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(OCCCO[N+](=O)[O-])c4)CC3)cc2oc1=O | |
| 248,CHEMBL602141,550.0,COc1ccc2c(c1)OC(c1ccc(C)cc1)CC2=O | |
| 2493,CHEMBL4089466,551.0,O=C1COC(c2ccc(/C=N/c3cccc(Cl)c3)cc2)=NN1 | |
| 315,CHEMBL1213912,551.38,COc1cccc(-c2csc(N/N=C(\C)c3cccs3)n2)c1 | |
| 3972,CHEMBL4784768,551.8,C#CCN(C)CCCCCCOc1ccc(C=O)c(OC)c1 | |
| 4828,CHEMBL5559719,552.0,O=C(NCc1ccccc1)c1nc2ccc(O)cc2s1 | |
| 2494,CHEMBL4067767,554.0,O=C1COC(c2ccc(/C=N/Nc3cccc(Cl)c3)cc2)=NN1 | |
| 4159,CHEMBL5083737,560.0,Cc1c(C)c2ccc(OCc3cccc(CN(C)CCCC(F)F)c3)cc2oc1=O | |
| 4997,CHEMBL5630375,560.0,O=C1OCc2ccc(N3N=C(c4cc(F)ccc4O)CC3=O)cc21 | |
| 2963,CHEMBL4215743,560.0,COc1ccc2oc(=O)c(-c3ccc(Br)nn3)cc2c1 | |
| 3511,CHEMBL3989843,560.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 2627,CHEMBL4078645,565.0,Cc1cccc(COc2cccc(/C=C/[N+](=O)[O-])c2)c1 | |
| 3147,CHEMBL4277956,566.0,O=c1[nH]c(SCc2ccc(F)cc2)nc2ccccc12 | |
| 3683,CHEMBL4539746,568.0,Cc1ccc(NCc2coc3ccccc3c2=O)cc1 | |
| 3221,CHEMBL4537240,570.0,O=C(/C=C/c1ccc(OCCCCCCN2CCCC2)cc1)c1ccc(OCCCCCCN2CCCC2)cc1O | |
| 3725,CHEMBL4521517,570.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2c(F)cccc2Cl)n(C)c1=O | |
| 1695,CHEMBL3394527,571.0,COc1ccc(/C=N/c2ccc3c(C)cc(=O)oc3c2)c(O)c1 | |
| 3167,CHEMBL4454381,571.0,Cc1ccc(-c2nnc(-c3cccc(S(N)(=O)=O)c3)o2)cc1 | |
| 3077,CHEMBL4281894,571.0,CN(C)CCOc1cccc(/C=C2\COc3ccccc3C2=O)c1 | |
| 915,CHEMBL2062876,576.0,CC(=O)c1cc(OCc2cccc(Br)c2)ccc1O | |
| 995,CHEMBL2151672,577.99,Fc1ccc(-c2csc(N/N=C\c3c[nH]c4ccccc34)n2)cc1 | |
| 3673,CHEMBL4540576,579.0,Cc1cccc(NC(=O)c2coc3ccccc3c2=O)c1C | |
| 1865,CHEMBL3613272,580.0,O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccccc1F | |
| 2773,CHEMBL4170537,580.0,Fc1ccc(COc2cccc(Br)c2)cc1 | |
| 114,CHEMBL513549,580.0,O=C(Nc1c(F)c(F)nc(F)c1F)c1cc2ccccc2oc1=O | |
| 2228,CHEMBL3799699,581.0,COn1c(-c2ccc(C)cc2)cc2cc3c(cc21)C(=O)NC3=O | |
| 1078,CHEMBL2312976,582.8,Cn1c(=O)c2c(cc(OCc3ccc(Cl)c(C(F)(F)F)c3)n2C)n(C)c1=O | |
| 3710,CHEMBL4540760,583.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2F)n(C)c1=O | |
| 2162,CHEMBL3770982,584.0,O=C1COc2ccc(Cl)cc2C2CC(c3ccccc3F)=NN12 | |
| 1084,CHEMBL2313277,586.7,CC(=O)c1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 | |
| 1099,CHEMBL26138,587.6,Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O | |
| 1788,CHEMBL3415780,590.0,C#CCN(C)CC(=C)c1cccc(OCc2cccc(OC)c2)c1.O=C(O)C(=O)O | |
| 2441,CHEMBL4067447,590.0,COc1ccccc1CN(C)CCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1 | |
| 3244,CHEMBL4461644,590.0,C#CCNC1CCc2c(OCCc3cc(NC(C)=O)ccc3Cl)cccc21 | |
| 4393,CHEMBL5219355,590.0,C#CCNCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O | |
| 223,CHEMBL600384,590.0,Cc1ccc([C@@H]2CC(=O)c3ccc(C)cc3O2)cc1 | |
| 4625,CHEMBL5414346,597.0,COc1cc(-c2ccc(-c3nc(-c4ccc5[nH]ncc5c4)no3)cc2)cc(OC)c1OC | |
| 4718,CHEMBL5426795,598.0,O=C(Nc1ccc(O)cc1)c1coc2cccc(O)c2c1=O | |
| 5145,CHEMBL3989843,600.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 89,CHEMBL445184,600.0,Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 | |
| 3689,CHEMBL4592550,600.0,C#CCN(C)Cc1ccc(Cc2cn(C)nn2)cc1 | |
| 1640,CHEMBL3330330,600.0,CCC[C@@]1(N)C[C@H]1c1ccccc1.Cl | |
| 1933,CHEMBL3989843,600.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 2189,CHEMBL3781329,600.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 | |
| 3323,CHEMBL4466686,600.0,Cc1cc(=O)oc2cc(OCC3CCN(Cc4ccc(CO)cc4)CC3)ccc12 | |
| 3206,CHEMBL4444156,608.0,O=c1ccc(-c2ccccc2)nn1Cc1noc(-c2ccc(C3=NCCN3)cc2)n1 | |
| 3353,CHEMBL4302260,609.0,CCC(C)(C)c1ccc(OCCCCN2CCCCCC2)cc1 | |
| 3616,CHEMBL4562275,612.0,Cc1c(C)c2ccc(OCCCCN3CCc4ccccc4C3)cc2oc1=O.Cl | |
| 4963,CHEMBL5571095,613.7,Cc1cccc(COc2ccc3[nH]c(CC(N)=O)nc3c2)c1 | |
| 3600,CHEMBL4539801,614.0,Cc1c(C)c2ccc(OCC3CCN(Cc4ccc(Cl)cc4)CC3)cc2oc1=O.Cl | |
| 593,CHEMBL1806758,615.0,Cn1c(=O)c2c(nc(OCCCc3ccccc3)n2C)n(C)c1=O | |
| 1993,CHEMBL2420694,616.0,Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)o1 | |
| 1274,CHEMBL2420694,616.0,Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)o1 | |
| 527,CHEMBL450239,617.0,O=C1Nc2cc(/C=C/c3ccccc3)ccc2C1=O | |
| 4890,CHEMBL126,619.0,CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | |
| 4785,CHEMBL126,619.0,CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | |
| 1271,CHEMBL2420784,619.0,Cc1ccc(C(=O)/C=C/c2cccc(F)c2)o1 | |
| 1783,CHEMBL3415614,620.0,C#CCN(C)CC(=C)c1ccc(COc2ccccc2)cc1.O=C(O)C(=O)O | |
| 1296,CHEMBL2430702,620.0,O=C1CCc2cc(OCc3cccc(Cl)c3)ccc2N1 | |
| 2672,CHEMBL4066052,620.0,CC(=O)c1ccc(OCCCN2CCCC2)cc1O | |
| 231,CHEMBL592764,620.0,O=C1C[C@@H](c2ccccc2)Oc2cc(F)ccc21 | |
| 853,CHEMBL2029547,620.0,NC/C=C(/F)COc1ccc(C(=O)NCc2ccccc2)cc1 | |
| 4046,CHEMBL4874605,620.0,C#CCNC1CCc2c(SCCc3cccc(Br)c3)cccc21 | |
| 2565,CHEMBL4097014,621.7,Cc1ccc2oc(=O)c(C(=O)Nc3ccc(O)cc3)cc2c1 | |
| 4791,CHEMBL5557490,622.0,O=C(NCc1cccc(F)c1)c1nc2ccc(O)cc2s1 | |
| 1873,CHEMBL3260398,624.0,COc1ccccc1/C=C/C(=O)c1ccc(O)cc1 | |
| 1341,CHEMBL239230,624.0,Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(Cl)cc2)n(C)c1=O | |
| 2885,CHEMBL4202806,625.0,Cl.NCCc1ccc(-c2ccc(Cl)cc2)cc1 | |
| 2804,CHEMBL4162482,626.0,CCCCCC/C(C)=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 2106,CHEMBL3769956,626.82,CC(=O)N1N=C(c2ccc(Cl)cc2)OC1c1ccc(Cl)c(Cl)c1 | |
| 3109,CHEMBL4286556,630.0,CN(C)CCOC(=O)/C=C/c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 | |
| 3312,CHEMBL4514364,630.0,CN(C)Cc1cc(=O)oc2cc(OCc3ccc(CO)cc3)ccc12 | |
| 4422,CHEMBL5270089,630.0,COc1ccc2oc(-n3ccc4ccccc43)cc(=O)c2c1 | |
| 545,CHEMBL1761763,633.55,COc1ccc2oc(=O)c(-c3cccs3)cc2c1 | |
| 2717,CHEMBL4073506,634.0,Cc1ccc2occ(/C=N/c3cc(Cl)ccc3O)c(=O)c2c1 | |
| 1055,CHEMBL2204773,637.0,N#Cc1ccc(Sc2ccc(Br)cc2)cc1 | |
| 4768,CHEMBL5440632,638.0,O=C1Oc2ccccc2C(=O)/C1=C\NCc1ccccc1 | |
| 4769,CHEMBL4214270,638.0,Oc1cc(Cl)ccc1NC(=S)Nc1ccc2[nH]ccc2c1 | |
| 4540,CHEMBL5286976,638.0,O=C1Oc2ccccc2C(=O)/C1=C/NCc1ccccc1 | |
| 4176,CHEMBL5089633,640.0,C#CCn1nc(/C=C/c2cccc(OC)c2)oc1=O | |
| 2766,CHEMBL4160257,640.0,CN1c2c(nn(-c3ccc(/C=N/NC(=S)NCc4ccccc4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O | |
| 90,CHEMBL469362,640.0,COc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 | |
| 936,CHEMBL2088303,641.0,Cn1c(=O)c2c(nc(COc3cccc(C(F)(F)F)c3)n2C)n(C)c1=O | |
| 2899,CHEMBL4212044,642.0,NC(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | |
| 1706,CHEMBL3398534,642.0,N#Cc1ccc(OC/C=C/c2ccccc2)cc1C#N | |
| 3907,CHEMBL4744827,648.0,Fc1ncccc1-c1cnc2c3ccccc3nn2c1 | |
| 48,CHEMBL556769,650.0,Cl.NNC/C(=C/F)c1ccccc1 | |
| 2832,CHEMBL4161773,650.0,C#CCNC1CCc2c(OCc3cccc(Br)c3)cccc21 | |
| 1853,CHEMBL3605367,650.0,CN1CCc2c(c3ccccc3n2CCCCCCCn2c3c(c4ccccc42)CN(C)CC3)C1 | |
| 4551,CHEMBL44,650.0,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 | |
| 4594,CHEMBL5289680,650.0,COc1ccc(/C=C2\COc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1 | |
| 4751,CHEMBL3781063,650.0,CSc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1 | |
| 4749,CHEMBL5414768,650.0,O=C(/C=C/c1ccc(F)cc1)c1ccc(N2CCNCC2)cc1 | |
| 95,CHEMBL470213,650.0,CC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 | |
| 232,CHEMBL599761,650.0,O=C1C[C@H](c2ccccc2)Oc2cc(F)ccc21 | |
| 741,CHEMBL1835326,650.03,Cc1ccc2oc(=O)c(-c3cccc(O)c3)cc2c1 | |
| 2018,CHEMBL3735752,651.1,Cc1ccc2oc(=O)c(-c3cccc(OC(=O)c4ccccc4)c3)cc2c1 | |
| 443,CHEMBL1254764,652.0,Fc1ccc(-c2csc(NN=C3CCCCC3)n2)c(F)c1 | |
| 983,CHEMBL2151568,652.8,Fc1ccc(-c2csc(N/N=C\c3ccco3)n2)cc1 | |
| 1115,CHEMBL2331563,654.32,O=C(/C=C(O)/C=C/c1ccc(O)c(O)c1)c1ccccc1O | |
| 4084,CHEMBL4859930,655.1,CCN(CC)S(=O)(=O)c1ccc([C@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1 | |
| 3594,CHEMBL4474935,656.0,Cc1c(C)c2ccc(OC3CCN(Cc4ccc(C#N)cc4)CC3)cc2oc1=O | |
| 3218,CHEMBL4454906,660.0,CCN(CC)CCCCOc1ccc(/C=C/C(=O)c2ccc(OCCCCN(CC)CC)cc2O)cc1 | |
| 35,CHEMBL51601,660.0,NCC1(c2ccccc2)CC1F | |
| 4190,CHEMBL5181301,661.0,CCN(CC)Cc1ccc(/C=C2\Cc3ccccc3C2=O)cc1 | |
| 1147,CHEMBL2332211,664.0,C#CCN(C)[C@H](CF)CC(=C)C | |
| 3877,CHEMBL4784081,665.0,CC1CCCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1 | |
| 1222,CHEMBL2418204,665.1,Fc1ccccc1-c1nc2ccc(N3CCCCC3)nc2o1 | |
| 271,CHEMBL602260,666.0,Cn1c(=O)c2c(nc(OCc3cccc(Cl)c3)n2C)n(C)c1=O | |
| 1047,CHEMBL2203918,666.0,O=C(/C=C/c1ccc2c(c1)OCO2)NC1CCCCC1 | |
| 4880,CHEMBL5569288,667.8,NS(=O)(=O)c1ccc(COc2ccc3c(=O)ccoc3c2)cc1 | |
| 1126,CHEMBL1963386,667.89,O=C(/C=C/c1ccccc1)c1cc(F)ccc1O | |
| 257,CHEMBL600390,670.0,O=C1CC(c2ccc(F)cc2)Oc2cc(F)ccc21 | |
| 4669,CHEMBL1963387,670.0,O=C(/C=C/c1ccc(F)cc1)c1ccccc1O | |
| 4859,CHEMBL5563290,670.2,NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)c(Br)c1 | |
| 3883,CHEMBL4786252,673.0,CC1CCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1 | |
| 4724,CHEMBL4102366,674.0,COc1ccc2occ(C(=O)Nc3ccc(O)cc3)c(=O)c2c1 | |
| 2593,CHEMBL4102366,674.2,COc1ccc2occ(C(=O)Nc3ccc(O)cc3)c(=O)c2c1 | |
| 3903,CHEMBL4751815,680.0,Cc1cc(=O)c(O)c(CO)n1CCCn1cc(COc2ccc3ccc(=O)oc3c2)nn1 | |
| 4682,CHEMBL887,680.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4734,CHEMBL5284393,680.0,Cc1cc(=O)c(O)c(CO)n1CCCn1cc(COc2cc3ccccc3oc2=O)nn1 | |
| 4567,CHEMBL5283992,680.0,Cc1cc(=O)c(O)c(CO)n1CCn1cc(COc2ccc3ccc(=O)oc3c2)nn1 | |
| 4733,CHEMBL4751815,680.0,Cc1cc(=O)c(O)c(CO)n1CCCn1cc(COc2ccc3ccc(=O)oc3c2)nn1 | |
| 3649,CHEMBL334918,680.0,Oc1ccc2c(c1)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 | |
| 4559,CHEMBL5271382,680.0,CCc1c(O)c(=O)cc(C)n1CCCn1cc(COc2ccc3ccc(=O)oc3c2)nn1 | |
| 2761,CHEMBL4159846,680.0,CN1c2c(nn(-c3ccc(/C=N/NC(=S)Nc4ccccc4Cl)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O | |
| 1854,CHEMBL3605368,690.0,CN1CCc2c(c3ccccc3n2CCCCCCCCn2c3c(c4ccccc42)CN(C)CC3)C1 | |
| 1114,CHEMBL2333932,693.0,C#CCN(C)[C@H](C)Cc1ccc(OCCNc2c3c(nc4ccccc24)CCCC3)cc1 | |
| 4096,CHEMBL4854597,700.0,CCN(CCCCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1OC | |
| 1761,CHEMBL3417299,700.0,Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12 | |
| 3936,CHEMBL288149,700.0,CC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1 | |
| 5414,CHEMBL6049284,700.0,FC(F)(F)c1cccc(-c2ccc([C@H]3C[C@@H]3NC3CCOCC3)cn2)c1 | |
| 5220,CHEMBL6049284,700.0,FC(F)(F)c1cccc(-c2ccc([C@H]3C[C@@H]3NC3CCOCC3)cn2)c1 | |
| 5390,CHEMBL6049284,700.0,FC(F)(F)c1cccc(-c2ccc([C@H]3C[C@@H]3NC3CCOCC3)cn2)c1 | |
| 110,CHEMBL471232,700.0,Cc1cc(C)cc(NC(=O)c2cc3ccccc3oc2=O)c1 | |
| 4198,CHEMBL5175757,700.0,N#Cc1ccc(/N=N/c2cc(-c3ccccc3)ccc2O)cc1C#N | |
| 3150,CHEMBL4284822,700.0,O=c1[nH]c(SCc2ccc(C(F)(F)F)cc2)nc2ccccc12 | |
| 4085,CHEMBL4743670,701.7,CCN(CC)S(=O)(=O)c1ccc([C@H]2C[C@@H]2NCc2ccccc2)cc1 | |
| 4249,CHEMBL4743670,701.7,CCN(CC)S(=O)(=O)c1ccc([C@H]2C[C@@H]2NCc2ccccc2)cc1 | |
| 4873,CHEMBL5570926,702.0,CCN(CC)Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12 | |
| 4416,CHEMBL3785406,703.0,COc1cc(O)c2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O | |
| 2213,CHEMBL3785406,703.0,COc1cc(O)c2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O | |
| 4276,CHEMBL5190154,707.0,COc1ccc2c(c1)C(=O)/C(=C/c1ccc[nH]1)CC2 | |
| 1272,CHEMBL1344767,707.0,Cc1ccc(C(=O)/C=C/c2ccc(Br)cc2)o1 | |
| 4146,CHEMBL5077759,709.0,NC(=O)[C@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 | |
| 370,CHEMBL375539,710.0,CC1CCCC/C1=N\Nc1nc(-c2ccccc2)cs1 | |
| 3255,CHEMBL4448403,710.0,C#CCNC1CCc2c(NCc3cccc(C)c3)cccc21 | |
| 2363,CHEMBL3884263,710.0,O=C(/C=C/c1ccc(N2CCCC2)cc1)c1ccc(OC(=O)N2CCCC2)cc1O | |
| 4750,CHEMBL5399496,710.0,O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(N2CCNCC2)cc1 | |
| 2365,CHEMBL3884558,710.0,O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc(OC(=O)N2CCCC2)cc1O | |
| 93,CHEMBL512843,710.0,Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 | |
| 420,CHEMBL375539,711.0,CC1CCCC/C1=N\Nc1nc(-c2ccccc2)cs1 | |
| 63,CHEMBL502371,711.23,CC1CCCC/C1=N/Nc1nc(-c2ccccc2)cs1 | |
| 3042,CHEMBL4238970,713.0,C[C@H](Cc1ccc(OCc2ccccc2Cl)cc1)N(C)CC(=O)O | |
| 2008,CHEMBL3735572,714.1,CC(=O)Oc1cccc(-c2cc3cc(C)ccc3oc2=O)c1 | |
| 2793,CHEMBL3263526,716.0,CC(C)=NNc1nc(-c2cccc([N+](=O)[O-])c2)cs1 | |
| 3880,CHEMBL4790939,717.0,CC1CCCN(CCCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1 | |
| 3886,CHEMBL4784501,720.0,CC1CCN(CCCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1 | |
| 3107,CHEMBL4285749,720.0,CN(C)CCOC(=O)/C=C/c1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1 | |
| 4967,CHEMBL5589614,720.0,O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc21 | |
| 4698,CHEMBL5399676,720.0,Cc1ccc(-c2cc3c(cc2-c2ccc(C#N)cc2)c(C(=O)N2CCC(N)CC2)cn3S(=O)(=O)c2ccc(F)cc2)cc1 | |
| 2344,CHEMBL3915922,722.0,COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN3CCCC3)c(O)c1)CO2 | |
| 3636,CHEMBL4469213,723.0,Cn1c(=O)c2c(nc3n2CCN(CCc2ccccc2Cl)C3)n(C)c1=O | |
| 1697,CHEMBL574382,723.0,Cc1cc(=O)oc2cc(/N=C/c3ccccc3O)ccc12 | |
| 1134,CHEMBL2332177,725.92,COc1ccc(/C=C/C=C/C(=O)c2cc(F)ccc2O)cc1 | |
| 5049,CHEMBL5639628,727.0,COc1cc(Cl)cc2oc(-c3ccc(OC(C)C)cc3)cc(=O)c12 | |
| 3217,CHEMBL4437622,730.0,O=C(/C=C/c1ccc(OCCCCN2CCCC2)cc1)c1ccc(OCCCCN2CCCC2)cc1O | |
| 3667,CHEMBL4576126,736.0,O=C(Nc1ccccc1O)c1coc2ccccc2c1=O | |
| 4200,CHEMBL5185401,740.0,COc1cc(S)c(/N=N/c2ccc(C#N)c(C#N)c2)cc1OC | |
| 2961,CHEMBL4203878,750.0,Cc1ccc2cc(-c3ccc(Br)nn3)c(=O)oc2c1 | |
| 2759,CHEMBL4168191,750.0,Cc1ccc(NC(=S)N/N=C/c2ccc(-n3nc4c(c3-c3ccccc3)N(C)S(=O)(=O)c3ccccc3-4)cc2)c(C)c1 | |
| 3059,CHEMBL4277344,756.0,CN(C)CCCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 3197,CHEMBL4549955,756.0,COc1ccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1OC | |
| 3871,CHEMBL4798732,756.0,O=c1c2cc(Cl)ccc2oc2ccc(OCCCCCN3CCCCC3)cc12 | |
| 3726,CHEMBL4592888,758.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2cc(Cl)ccc2Cl)n(C)c1=O | |
| 4968,CHEMBL5595561,760.0,O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)Oc2cc(O)ccc21 | |
| 2774,CHEMBL4159892,760.0,Brc1cccc(COc2cccc(Br)c2)c1 | |
| 388,CHEMBL1253604,760.0,Cc1cc2cc(NC(=O)c3cccc(Cl)c3)ccc2[nH]1 | |
| 87,CHEMBL494795,760.0,O=C(Nc1ccccc1)c1cc2ccccc2oc1=O | |
| 1500,CHEMBL252403,760.0,O=C(Nc1cc2ccccc2oc1=O)c1ccccc1 | |
| 976,CHEMBL2151549,762.37,N#Cc1ccc(-c2csc(N/N=C\c3c[nH]c4ccccc34)n2)cc1 | |
| 1088,CHEMBL2312987,762.5,COc1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 | |
| 2713,CHEMBL4077182,764.0,O=c1c(/C=N/c2ccc(F)cc2O)coc2ccc(Br)cc12 | |
| 3170,CHEMBL4463435,767.0,Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(N)(=O)=O | |
| 2273,CHEMBL3979733,768.0,CN(C)c1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1 | |
| 3335,CHEMBL4514364,770.0,CN(C)Cc1cc(=O)oc2cc(OCc3ccc(CO)cc3)ccc12 | |
| 2760,CHEMBL4167764,770.0,Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(-n2nc3c(c2-c2ccccc2)N(C)S(=O)(=O)c2ccccc2-3)cc1 | |
| 301,CHEMBL1213777,771.82,CCC(CC)=NNc1nc(-c2cccc(OC)c2)cs1 | |
| 4145,CHEMBL5087869,772.0,NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 | |
| 3887,CHEMBL4797355,775.0,O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCCC3)cc12 | |
| 4825,CHEMBL5561067,779.0,O=C(Nc1nc2ccc(O)cc2s1)C1CCCCC1 | |
| 3149,CHEMBL4293091,779.0,O=c1[nH]c(SCc2ccc(Br)cc2)nc2ccccc12 | |
| 4463,CHEMBL5284799,780.0,Cc1ccc2c(ccn2-c2cc(=O)c3ccccc3o2)c1 | |
| 3328,CHEMBL4470448,780.0,Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(OCCCO)c4)CC3)cc2oc1=O | |
| 5023,CHEMBL5632305,780.0,O=C(Nc1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cnccn1 | |
| 2364,CHEMBL3883650,780.0,O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1ccc(OC(=O)N2CCCC2)cc1O | |
| 1750,CHEMBL3417310,780.0,O=c1ccc2ccc(OCCCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 1027,CHEMBL2206098,781.0,Cn1c(=O)c2c(nc([S+]([O-])CCc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 4295,CHEMBL673,782.0,C#CCN(C)Cc1ccccc1 | |
| 4189,CHEMBL464427,783.0,CCN(CC)Cc1ccc(/C=C2\Cc3cc(OC)c(OC)cc3C2=O)cc1 | |
| 4875,CHEMBL5573918,783.0,NC(=O)Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12 | |
| 1050,CHEMBL2204754,785.0,N#Cc1ccc(OCc2ccccc2)cc1 | |
| 768,CHEMBL1934039,790.0,Fc1ccc(-c2csc(N/N=C/c3ccccc3)n2)cc1 | |
| 1885,CHEMBL1801958,793.0,COc1cccc(C(=O)/C=C/c2ccccc2)c1 | |
| 320,CHEMBL1213972,799.69,COc1cccc(-c2csc(N/N=C/c3c[nH]c4ccccc34)n2)c1 | |
| 2481,CHEMBL3989843,800.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 101,CHEMBL453410,800.0,O=C(Nc1ccc(O)cc1)c1cc2ccccc2oc1=O | |
| 4107,CHEMBL4849646,800.0,CCN(CCCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1)Cc1ccccc1N(C)C | |
| 3464,CHEMBL4446815,800.0,CN(C)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2O)c1 | |
| 632,CHEMBL1814645,800.0,CCCN1C(=O)/C(=C\c2ccncc2)SC1=S | |
| 4666,CHEMBL126804,800.0,O=C(/C=C/c1ccc(O)cc1)c1ccccc1O | |
| 4067,CHEMBL4865269,800.0,COc1ccc2occ(/C=C/c3ccc(OC)c(OC)c3)c(=O)c2c1 | |
| 3628,CHEMBL4465460,802.0,Cn1c(=O)c2c(nc3n2CCN(CCc2ccc(Cl)c(Cl)c2)C3)n(C)c1=O | |
| 1999,CHEMBL3735584,803.0,O=C(/C=C/c1ccc(F)c(Br)c1)c1ccc[nH]1 | |
| 2207,CHEMBL3786785,808.0,CCN(C)c1ccc(/C=C2\Oc3cc(O)cc(O)c3C2=O)cc1 | |
| 5046,CHEMBL5646936,809.0,C=CCOc1ccc(-c2cc(=O)c3c(Cl)cc(OC)cc3o2)cc1 | |
| 350,CHEMBL1243245,810.0,C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc(F)cc3)cs2)C1 | |
| 3928,CHEMBL465208,810.0,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O | |
| 346,CHEMBL1241295,810.0,C[C@@H]1CCC/C(=N/Nc2nc(-c3ccccc3)cs2)C1 | |
| 2720,CHEMBL4082612,816.0,Cc1ccc(O)c(/N=C/c2coc3ccc(C)cc3c2=O)c1 | |
| 3913,CHEMBL4753863,818.0,COc1ccc(-c2cnc3c4cccnc4nn3c2)cc1 | |
| 4147,CHEMBL5090992,820.0,Cc1cc(OCc2cccc(F)c2)ccc1CN1C[C@@H](F)C[C@H]1C(N)=O | |
| 96,CHEMBL470420,820.0,COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 | |
| 2220,CHEMBL3800008,821.0,Cc1ccc(-c2cc3cc(C#N)c(C#N)cc3n2O)cc1 | |
| 3915,CHEMBL4780349,822.0,CCOC(=O)c1ccc(-c2cnc3c4cccnc4nn3c2)cc1 | |
| 3079,CHEMBL4278434,824.0,CCN(CC)CCOc1cccc(/C=C2\COc3ccccc3C2=O)c1 | |
| 2714,CHEMBL4066518,825.0,O=c1c(/C=N/c2cc(F)ccc2O)coc2ccc(Br)cc12 | |
| 941,CHEMBL2088308,825.0,Cn1c(=O)c2c(nc(COc3ccc(F)cc3)n2C)n(C)c1=O | |
| 3638,CHEMBL4462800,828.0,Cn1c(=O)c2c(nc3n2CCN(c2cccc4ccccc24)C3)n(C)c1=O | |
| 4369,CHEMBL1193656,830.0,C#CCNC1CCc2c(OC(=O)N(C)CC)cccc21 | |
| 2000,CHEMBL3735202,830.0,O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc[nH]1 | |
| 328,CHEMBL121,832.0,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 | |
| 4400,CHEMBL121,832.0,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 | |
| 4696,CHEMBL5437538,833.0,NC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc2oc(-c3ccc(F)cc3)cc2c1 | |
| 3919,CHEMBL4748078,837.0,C(=C/c1cnc2c3cccnc3nn2c1)\c1ccccc1 | |
| 3721,CHEMBL4570974,840.0,COc1ccc(Cl)c(CN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1F | |
| 1252,CHEMBL2417764,840.0,CN1N=C(c2ccccc2)CC1c1cccc(Cl)c1 | |
| 1690,CHEMBL3394532,841.0,O=c1oc2cc(/N=C/c3ccccc3O)ccc2c2c1CCCC2 | |
| 4819,CHEMBL5563145,842.0,O=C(NC1CCCC1)c1nc2ccc(O)cc2s1 | |
| 1785,CHEMBL3415616,850.0,C#CCN(C)CC(=C)c1ccc(CNc2ccccc2)cc1.O=C(O)C(=O)O | |
| 4220,CHEMBL5195988,850.0,O=C1c2ccccc2-c2nccc3cc(OCCCN4CCN(c5ccccc5)CC4)cc1c23 | |
| 4811,CHEMBL5561954,851.0,COc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1F | |
| 1376,CHEMBL3121867,852.0,C#CCNCCOc1ccc2ccc(=O)oc2c1 | |
| 4868,CHEMBL5583624,852.8,CN(C)c1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12 | |
| 3884,CHEMBL4777210,856.0,CC1CCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1 | |
| 113,CHEMBL511789,860.0,N#Cc1c(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c(F)c1F | |
| 109,CHEMBL450518,860.0,COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1OC | |
| 4881,CHEMBL4751815,860.0,Cc1cc(=O)c(O)c(CO)n1CCCn1cc(COc2ccc3ccc(=O)oc3c2)nn1 | |
| 4735,CHEMBL3360732,860.0,Cc1ccc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c1 | |
| 4560,CHEMBL4750523,860.0,CCc1c(O)c(=O)ccn1CCCn1cc(COc2cc3ccccc3oc2=O)nn1 | |
| 4568,CHEMBL5284393,860.0,Cc1cc(=O)c(O)c(CO)n1CCCn1cc(COc2cc3ccccc3oc2=O)nn1 | |
| 3904,CHEMBL4750523,860.0,CCc1c(O)c(=O)ccn1CCCn1cc(COc2cc3ccccc3oc2=O)nn1 | |
| 1138,CHEMBL2332190,860.46,O=C(/C=C/C=C/c1ccc(Cl)cc1)c1ccccc1O | |
| 1058,CHEMBL2204770,861.0,COc1ccc(CSc2ccc(C#N)cc2)cc1 | |
| 3040,CHEMBL4249499,864.0,C[C@H](Cc1ccc(OCc2ccc(Cl)cc2)cc1)N(C)CC(=O)O | |
| 3036,CHEMBL4243548,869.0,C[C@H](Cc1ccc(OCc2cccc(F)c2)cc1)N(C)CC(=O)O | |
| 3216,CHEMBL4456071,870.0,O=C(/C=C/c1ccc(OCCCCN2CCCCC2)cc1)c1ccc(OCCCCN2CCCCC2)cc1O | |
| 4882,CHEMBL313833,870.0,NC1CC1c1ccccc1 | |
| 302,CHEMBL1213776,871.47,CCC/C(C)=N/Nc1nc(-c2cccc(OC)c2)cs1 | |
| 3593,CHEMBL4454278,876.0,Cc1c(C)c2ccc(OC3CCN(Cc4ccc(Cl)cc4)CC3)cc2oc1=O | |
| 4373,CHEMBL5219522,876.0,Cc1c(Cl)c(=O)oc2cc(OCCCCSC(=S)N3CCCCC3C)ccc12 | |
| 570,CHEMBL1766554,879.18,Nc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 3066,CHEMBL4289225,880.0,CN(CCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1)Cc1ccccc1 | |
| 1477,CHEMBL3219203,880.0,C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccccn1 | |
| 2442,CHEMBL4101300,880.0,CCN(CCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1OC | |
| 3090,CHEMBL4290453,880.0,Cc1ccc2oc(-c3ccccc3)cc2c1 | |
| 2552,CHEMBL4081605,881.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])s3)cc2)nc2ccccc21 | |
| 2342,CHEMBL3924914,882.0,COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN(C)C)c(O)c1)CO2 | |
| 1631,CHEMBL3319243,882.0,O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]ncc2c1 | |
| 4482,CHEMBL1979239,883.0,O=C1/C(=C/c2ccc(Cl)cc2)CSc2ccccc21 | |
| 1064,CHEMBL2204764,887.0,N#Cc1ccc(SC2CCCC2)cc1C#N | |
| 1221,CHEMBL2418209,889.5,Clc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 4379,CHEMBL5220140,890.0,O=C1NC(=O)/C(=C\c2ccc(NCc3ccccc3)cc2)S1 | |
| 3201,CHEMBL4530181,890.0,c1csc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)c1 | |
| 4228,CHEMBL5209523,890.0,O=C1c2ccccc2-c2nccc3cc(OCCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc1c23 | |
| 94,CHEMBL469583,890.0,CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 | |
| 1805,CHEMBL3989843,890.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 2118,CHEMBL3769472,893.0,CC(=O)c1cccc(OCc2cccc(C)c2)c1 | |
| 3043,CHEMBL4246966,894.0,C[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C)CC(=O)O | |
| 4478,CHEMBL3416650,895.0,COc1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1 | |
| 4476,CHEMBL3416649,895.0,COc1ccc2c(c1)O/C(=C\c1ccc(OCCCN(C)C)cc1)C2=O | |
| 4473,CHEMBL3416643,895.0,COc1ccc2c(c1)O/C(=C\c1ccc(OCCN(C)C)cc1)C2=O | |
| 4477,CHEMBL3416646,895.0,COc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O | |
| 4475,CHEMBL3416647,895.0,CCN(CC)c1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1 | |
| 4472,CHEMBL5269725,895.0,COc1ccc2c(c1)O/C(=C\c1ccc(OCCC3CCCC3)cc1)C2=O | |
| 4474,CHEMBL3416648,895.0,COc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O | |
| 4479,CHEMBL3416645,895.0,COc1ccc2c(c1)O/C(=C\c1ccc(OCCN3CCCCC3)cc1)C2=O | |
| 4909,CHEMBL5562510,896.0,O=C1C(c2cc(-c3ccccc3)no2)=CS(=O)(=O)c2ccccc21 | |
| 3889,CHEMBL4783624,897.0,O=c1c2cc(Cl)ccc2oc2ccc(OCCCCCN3CCCCCC3)cc12 | |
| 4083,CHEMBL4847919,897.5,CCN(CC)S(=O)(=O)c1ccc([C@H]2C[C@@H]2N)cc1 | |
| 4248,CHEMBL4847919,897.5,CCN(CC)S(=O)(=O)c1ccc([C@H]2C[C@@H]2N)cc1 | |
| 4086,CHEMBL4856722,900.0,NC1CC12CCc1ccccc12 | |
| 2449,CHEMBL4102209,900.0,CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1N(C)C | |
| 4998,CHEMBL5630148,900.0,O=C1OCc2ccc(N3N=C(c4cccc(F)c4O)CC3=O)cc21 | |
| 2014,CHEMBL3736247,904.6,Cc1ccc2oc(=O)c(-c3cccc(OCCCN(C)C)c3)cc2c1 | |
| 88,CHEMBL469350,910.0,O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O | |
| 3035,CHEMBL4247774,911.0,C[C@H](Cc1ccc(OCc2cc(F)cc(F)c2)cc1)N(C)CC(=O)O | |
| 4864,CHEMBL5575430,912.4,NC(=O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O | |
| 2716,CHEMBL4099570,915.0,Cc1ccc2occ(/C=N/c3ccc(Cl)cc3O)c(=O)c2c1 | |
| 2347,CHEMBL3975706,915.0,COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN3CCN(C)CC3)c(O)c1)CO2 | |
| 424,CHEMBL1253924,920.0,Cc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1 | |
| 4038,CHEMBL4860189,920.0,C#CCNC1CCc2c(SCCc3ccc(Cl)cc3)cccc21 | |
| 3371,CHEMBL4552841,920.0,CC(C)=CCc1c(O)cc(/C=C/c2ccc3c(c2)[C@H](c2cc(O)c(CC=C(C)C)c(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1O | |
| 811,CHEMBL1946644,921.0,CCOC1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 | |
| 2231,CHEMBL3798677,923.0,Cc1ccc(C(=O)Cc2cc3c(cc2[N+](=O)[O-])C(=O)NC3=O)cc1 | |
| 1270,CHEMBL1438596,924.0,Cc1ccc(C(=O)/C=C/c2ccc(F)cc2)o1 | |
| 2921,CHEMBL3094318,926.0,Cl.NCc1ccc(OCc2cccc(F)c2)cc1 | |
| 1218,CHEMBL2408561,927.0,N#Cc1cccc(Nc2ncc3c(n2)CCCC3=O)c1 | |
| 614,CHEMBL1814072,930.0,O=C(NC1CCCCC1)c1coc2ccccc2c1=O | |
| 2780,CHEMBL4168238,930.0,O=Cc1cccc(OCc2ccc(F)cc2)c1 | |
| 4029,CHEMBL4875936,930.0,C#CCNC1CCc2c(SCc3ccc(C(F)(F)F)cc3)cccc21 | |
| 1527,CHEMBL445184,930.0,Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 | |
| 3629,CHEMBL4463864,932.0,Cn1c(=O)c2c(nc3n2CCN(CCc2c(Cl)cccc2Cl)C3)n(C)c1=O | |
| 1861,CHEMBL3613276,937.0,COc1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1 | |
| 2007,CHEMBL3735254,938.4,CC(=O)Oc1ccccc1-c1cc2cc(C)ccc2oc1=O | |
| 3872,CHEMBL4794003,939.0,O=c1c2ccccc2oc2ccc(OCCCCCCN3CCCCC3)cc12 | |
| 426,CHEMBL1253846,940.0,Clc1ccc(-c2csc(NN=C3CCCCCC3)n2)c(Cl)c1 | |
| 4318,CHEMBL5180612,940.0,CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCCC4)c(O)c3)ccc21 | |
| 1731,CHEMBL3402202,941.0,Brc1ccc(OCCOc2ccc3c(c2)OCCO3)cc1 | |
| 272,CHEMBL602464,941.0,Cn1c(=O)c2c(nc(OCc3cccc(Br)c3)n2C)n(C)c1=O | |
| 1644,CHEMBL3330334,941.0,Cl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1 | |
| 4813,CHEMBL5563499,944.0,O=C(NCC#Cc1ccccc1)c1nc2ccc(O)cc2s1 | |
| 1208,CHEMBL2409538,944.0,C/C(=N\Nc1nc(-c2ccccc2)cs1)c1cccnc1 | |
| 3873,CHEMBL4797867,946.0,O=c1c2ccc(Cl)cc2oc2ccc(OCCCCCCN3CCCCC3)cc12 | |
| 971,CHEMBL2151543,946.62,N#Cc1ccc(-c2csc(N/N=C\c3cccnc3)n2)cc1 | |
| 1728,CHEMBL3402199,947.0,c1ccc(CCCOc2ccc3c(c2)OCCO3)cc1 | |
| 4685,CHEMBL5398332,948.0,C[C@H](NCc1ccc2oc(-c3ccc(F)cc3)cc2c1)C(N)=O | |
| 3085,CHEMBL4295215,950.0,Cc1cccc2cc(-c3ccc(Br)cc3)oc12 | |
| 2200,CHEMBL3781063,950.0,CSc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1 | |
| 1834,CHEMBL3585855,950.0,C#CCN(C)[C@H](C)Cc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 | |
| 4972,CHEMBL5591814,950.0,O=C1/C(=C/c2ccc(OCc3cccc(Br)c3)cc2)Oc2cc(O)ccc21 | |
| 4974,CHEMBL5594206,950.0,O=C1/C(=C/c2cccc(OCc3ccccc3F)c2)Oc2cc(O)ccc21 | |
| 3977,CHEMBL4875465,957.0,O=C(Nc1cccc(Cl)c1)C1COc2ccccc2C1 | |
| 3348,CHEMBL4530407,962.0,CCC(C)(C)c1ccc(OCCCN2CC(C)CC(C)C2)cc1 | |
| 4480,CHEMBL227560,964.0,O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1 | |
| 2270,CHEMBL3891485,966.0,O=C1/C(=C/c2cccc(O)c2)Cc2cc(O)ccc21 | |
| 1128,CHEMBL2332184,969.44,COc1cc(/C=C/C=C/C(=O)c2c(O)cccc2O)ccc1O | |
| 3634,CHEMBL4449404,970.0,Cn1c(=O)c2c(nc3n2CCN(CCc2ccccc2Br)C3)n(C)c1=O | |
| 4380,CHEMBL5219947,970.0,C#CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1 | |
| 4808,CHEMBL5558187,971.0,COc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)c(OC)c1 | |
| 3166,CHEMBL4579322,975.0,NS(=O)(=O)c1cccc(-c2nnc(-c3ccc(F)cc3)o2)c1 | |
| 3891,CHEMBL4746282,975.0,O=c1c2ccc(Cl)cc2oc2ccc(OCCCCCCN3CCCCCC3)cc12 | |
| 2948,CHEMBL4211297,978.0,C#CCN(CCCCOc1ccc2ccc(=O)oc2c1)Cc1ccccc1 | |
| 3257,CHEMBL4456080,980.0,C#CCNC1CCc2c(NCc3ccc(F)cc3)cccc21 | |
| 5341,CHEMBL4113794,980.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 | |
| 5253,CHEMBL4113794,980.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 | |
| 2396,CHEMBL4113794,980.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 | |
| 5180,CHEMBL4113794,980.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 | |
| 2454,CHEMBL92401,985.0,CC(C)NNC(=O)c1ccncc1 | |
| 1002,CHEMBL2158246,986.0,O=C1NC(=O)c2cc(Sc3ccccc3)ccc21 | |
| 396,CHEMBL1253618,990.0,O=C1Cc2cc(OC(=O)c3cccc(Cl)c3)ccc2O1 | |
| 125,CHEMBL502021,990.0,O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O | |
| 3556,CHEMBL4545912,991.0,C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc21 | |
| 3707,CHEMBL4573517,991.0,Cn1c(=O)c2c(nc3n2CCN3Cc2ccccc2Br)n(C)c1=O | |
| 4481,CHEMBL29845,995.0,O=C1/C(=C/c2ccc(Cl)cc2)CCc2ccccc21 | |
| 970,CHEMBL2151542,995.94,C/C(=N/Nc1nc(-c2ccc(C#N)cc2)cs1)c1ccccn1 | |
| 1645,CHEMBL3330335,998.0,C[C@]1(N)C[C@@H]1c1ccccc1.Cl | |
| 1930,CHEMBL3651093,1000.0,FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cc1 | |
| 1838,CHEMBL1198953,1000.0,C[n+]1ccc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4cc[n+](C)cc43)c2c1 | |
| 5087,CHEMBL10316,1000.0,c1ccc2c(c1)OCC(C1=NCCN1)O2 | |
| 3545,CHEMBL4483744,1000.0,Cc1cc(-c2ccc(C(F)(F)F)cc2)c(O)c2c1C[C@@H](C)OC2=O | |
| 1927,CHEMBL10316,1000.0,c1ccc2c(c1)OCC(C1=NCCN1)O2 | |
| 2199,CHEMBL3781774,1000.0,CS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1 | |
| 1740,CHEMBL3407586,1000.0,CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 | |
| 4098,CHEMBL4865817,1000.0,CCN(CCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1N(C)C | |
| 3547,CHEMBL4547510,1000.0,Cc1cc(-c2ccccc2)c(O)c2c1C[C@@H](C)OC2=O | |
| 4969,CHEMBL5590704,1000.0,O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)Oc2cc(O)ccc21 | |
| 5096,CHEMBL3651093,1000.0,FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cc1 | |
| 2346,CHEMBL3904918,1010.0,COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN3CCOCC3)c(O)c1)CO2 | |
| 717,CHEMBL1830142,1010.0,O=C(/C=C/c1cccc(O)c1)Nc1cccc(Br)c1 | |
| 4620,CHEMBL5399671,1010.0,COc1cc(-c2ccc(COc3ccc4[nH]ncc4c3)cc2)cc(OC)c1OC | |
| 4050,CHEMBL887,1010.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4523,CHEMBL476986,1010.0,COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O)c1 | |
| 4219,CHEMBL5186035,1010.0,O=C1c2ccccc2-c2nccc3cc(OCCCN4CCN(c5ccccc5F)CC4)cc1c23 | |
| 3020,CHEMBL4243235,1012.0,CN(CC(=O)O)[C@H](CO)Cc1ccc(OCc2ccccc2)cc1 | |
| 3917,CHEMBL4760176,1020.0,FC(F)(F)c1cccc(-c2cnc3c4cccnc4nn3c2)c1 | |
| 631,CHEMBL1814644,1020.0,O=C1NC(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S1 | |
| 5425,CHEMBL5989409,1020.0,FC(F)(F)c1cccc(-c2ccc([C@H]3C[C@@H]3NCC3CCNCC3)cc2)c1 | |
| 4394,CHEMBL5219976,1020.0,C#CCN1CCN(CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)CC1 | |
| 5401,CHEMBL5989409,1020.0,FC(F)(F)c1cccc(-c2ccc([C@H]3C[C@@H]3NCC3CCNCC3)cc2)c1 | |
| 5231,CHEMBL5989409,1020.0,FC(F)(F)c1cccc(-c2ccc([C@H]3C[C@@H]3NCC3CCNCC3)cc2)c1 | |
| 148,CHEMBL491888,1030.0,CC(C)=CCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(O)c1 | |
| 2349,CHEMBL3983738,1030.0,COc1ccccc1CN(C)Cc1ccc(/C=C2\COc3cc(OC)c(OC)cc3C2=O)cc1O | |
| 4701,CHEMBL5423398,1030.0,O=C(Nc1ccc(O)cc1)c1cc(=O)c2cc(O)ccc2o1 | |
| 1324,CHEMBL3093178,1030.0,CN(C)c1ccc(/C=C2\COc3cc(OCCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)cc1 | |
| 4796,CHEMBL5557570,1040.0,O=C(NCc1ccc([N+](=O)[O-])cc1)c1nc2ccc(O)cc2s1 | |
| 1637,CHEMBL3989843,1050.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 4229,CHEMBL5203412,1050.0,O=C1c2ccccc2-c2nccc3cc(OCCCCCN4CCN(c5ccccc5F)CC4)cc1c23 | |
| 3230,CHEMBL43185,1050.0,O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 | |
| 3554,CHEMBL4545912,1052.0,C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc21 | |
| 2898,CHEMBL4208737,1055.0,NC(=O)c1ccc(OCc2ccccc2F)cc1 | |
| 304,CHEMBL1213719,1060.0,COc1cccc(-c2csc(NN=C3CCCC3)n2)c1 | |
| 3178,CHEMBL4476431,1060.0,c1cc(C2=NCCN2)cc(-c2noc(-c3cccs3)n2)c1 | |
| 569,CHEMBL1766555,1060.0,CC(=O)Nc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 1314,CHEMBL450675,1060.0,COc1ccc(/C=C2\COc3cc(O)ccc3C2=O)cc1 | |
| 2772,CHEMBL4169065,1060.0,Fc1cccc(COc2cccc(Br)c2)c1 | |
| 4171,CHEMBL5085630,1060.0,O=c1[nH]nc(/C=C/c2cccc([N+](=O)[O-])c2)o1 | |
| 4980,CHEMBL5591723,1060.0,COc1cccc(COc2cccc(/C=C3\Oc4cc(O)ccc4C3=O)c2)c1 | |
| 273,CHEMBL602465,1070.0,Cn1c(=O)c2c(nc(OCc3cccc(F)c3)n2C)n(C)c1=O | |
| 3722,CHEMBL4560961,1070.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2cc(C(F)(F)F)ccc2Cl)n(C)c1=O | |
| 3864,CHEMBL4786410,1074.0,NC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 | |
| 1140,CHEMBL2332188,1080.0,O=C(/C=C/C=C/c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O | |
| 615,CHEMBL1814069,1080.0,O=C(Nc1ccc(OC(F)(F)F)cc1)c1coc2ccccc2c1=O | |
| 947,CHEMBL2151673,1080.0,Fc1ccc(-c2csc(N/N=C\c3ccc4c(c3)OCO4)n2)cc1 | |
| 2956,CHEMBL4210358,1085.0,C#CCN(C)CCCOc1ccc2ccc(=O)oc2c1 | |
| 4031,CHEMBL4857349,1090.0,C#CCNC1CCc2c(SCc3cccc(Cl)c3)cccc21 | |
| 2835,CHEMBL4171251,1090.0,C#CCNC1CCc2c(OCc3ccc(C)cc3)cccc21 | |
| 1322,CHEMBL3093180,1090.0,O=C1/C(=C/c2ccc(F)cc2)COc2cc(OCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccc21 | |
| 3313,CHEMBL4451675,1100.0,CN(C)Cc1cc(=O)oc2cc(OCc3cccc(CO)c3)ccc12 | |
| 3219,CHEMBL4552080,1100.0,O=C(/C=C/c1ccc(OCCCCCCN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(OCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 3326,CHEMBL4529750,1100.0,Cc1cc2ccc(OCC3CCN(Cc4cccc(CO)c4)CC3)cc2oc1=O | |
| 5048,CHEMBL5639969,1100.0,CCCOc1ccc(-c2cc(=O)c3c(OC)cc(Cl)cc3o2)cc1 | |
| 4095,CHEMBL4873761,1100.0,CCN(CCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1OC | |
| 975,CHEMBL2151547,1100.0,N#Cc1ccc(-c2csc(N/N=C\c3cccc4ccccc34)n2)cc1 | |
| 3476,CHEMBL3823220,1100.0,O=C(/C=C/c1cccc(O)c1)c1ccccc1O | |
| 2955,CHEMBL4203107,1103.0,C#CCN(C)CCOc1ccc2ccc(=O)oc2c1 | |
| 2900,CHEMBL4206777,1108.0,NC(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1 | |
| 1315,CHEMBL3093172,1110.0,COc1ccc(CC2COc3cc(OCCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)cc1 | |
| 1455,CHEMBL3218155,1110.0,Cc1sc(N/N=C2\CCCCC2C)nc1-c1ccccc1 | |
| 4973,CHEMBL5592594,1110.0,O=C1/C(=C/c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc21 | |
| 4196,CHEMBL5188538,1120.0,N#Cc1ccc(/N=N/c2ccc(O)c(-c3ccccc3)c2)cc1C#N | |
| 2712,CHEMBL4076775,1120.0,Cc1ccc(O)c(/N=C/c2coc3ccc(Br)cc3c2=O)c1 | |
| 852,CHEMBL2029546,1120.0,NC/C=C(/F)COc1ccc(C(=O)NC2CCCCC2)cc1 | |
| 2622,CHEMBL28,1120.0,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 | |
| 3354,CHEMBL4302261,1128.0,CCC(C)(C)c1ccc(OCCCCCN2CCCCCC2)cc1 | |
| 2015,CHEMBL3736060,1130.0,Cc1ccc2oc(=O)c(-c3cccc(OCCCCN(C)C)c3)cc2c1 | |
| 3091,CHEMBL4282579,1130.0,Brc1ccccc1-c1cc2ccccc2o1 | |
| 2242,CHEMBL1384621,1130.0,O=C1/C(=C/c2cccs2)COc2ccccc21 | |
| 1041,CHEMBL1575961,1130.0,O=C(/C=C/c1ccc2c(c1)OCO2)NC1CCCC1 | |
| 2707,CHEMBL4100473,1130.0,Cc1ccc(O)c(/N=C/c2coc3ccccc3c2=O)c1 | |
| 2951,CHEMBL4211814,1131.0,C#CCN(CCCCOc1ccc2ccc(=O)oc2c1)Cc1ccc(OC)cc1 | |
| 4253,CHEMBL5199489,1140.0,Clc1ccc(/C=N/c2ccc3cn[nH]c3c2)cc1Cl | |
| 318,CHEMBL1213916,1140.0,COc1cccc(-c2csc(N/N=C/c3ccncc3)n2)c1 | |
| 99,CHEMBL513209,1140.0,O=C(O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 | |
| 1717,CHEMBL3402192,1140.0,c1ccc(OCCOc2ccc3c(c2)OCO3)cc1 | |
| 4337,CHEMBL5183690,1142.0,O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N[C@H]3CCOC3)nc3ccccc3c21 | |
| 4775,CHEMBL5095023,1150.0,N#C/C(=C\C=C\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1 | |
| 3969,CHEMBL4781838,1150.0,C#CCN(C)CCCCOc1ccc(C(C)=O)cc1OC | |
| 2348,CHEMBL3913913,1150.0,COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN(C)Cc3ccccc3)c(O)c1)CO2 | |
| 4244,CHEMBL5179381,1150.0,Cn1c(N/N=C(\C=C\c2cccc(Cl)c2)c2ccccc2)nc2ccccc2c1=O | |
| 3639,CHEMBL4555393,1160.0,COc1cccc(N2CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C2)c1 | |
| 3515,CHEMBL4580675,1160.0,FC(F)(F)Cc1cc2c(N3CCC(CN[C@@H]4C[C@H]4c4ccccc4)CC3)ncnc2s1 | |
| 1329,CHEMBL3093173,1160.0,COc1ccc(/C=C2\COc3cc(OCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)cc1 | |
| 1121,CHEMBL2332163,1160.0,O=C(/C=C(O)/C=C/c1ccccc1)c1ccccc1O | |
| 3905,CHEMBL4783092,1170.0,FC(F)(F)c1ccc2c(c1)nn1cc(Br)cnc21 | |
| 960,CHEMBL2151689,1170.0,Fc1ccc(-c2csc(N/N=C\c3ccc4c(c3)OCO4)n2)c(F)c1 | |
| 3092,CHEMBL4280234,1170.0,Brc1cccc(-c2cc3ccccc3o2)c1 | |
| 3172,CHEMBL4562119,1170.0,N#Cc1ccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 | |
| 4931,CHEMBL5591184,1180.0,O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 | |
| 4816,CHEMBL5563106,1180.0,O=C(c1nc2ccc(O)cc2s1)N1CCc2ccccc2C1 | |
| 3714,CHEMBL4531455,1180.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2cc(Br)ccc2F)n(C)c1=O | |
| 521,CHEMBL1642676,1190.0,O=C1Nc2ccc(-c3ccccc3)cc2C1=O | |
| 672,CHEMBL1830833,1190.0,O=C(NNc1ccc(Cl)cc1)c1cc2ccccc2oc1=O | |
| 1738,CHEMBL1929421,1200.0,C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C | |
| 1786,CHEMBL3415617,1200.0,C#CCN(C)CC(=C)c1cccc(OCc2cccc(F)c2)c1.O=C(O)C(=O)O | |
| 397,CHEMBL1254624,1200.0,O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)CC(=O)O2 | |
| 4089,CHEMBL4872682,1200.0,COc1ccc(Br)cc1CNC1CC12CCc1ccccc12 | |
| 2779,CHEMBL4160325,1210.0,O=Cc1cccc(OCc2cccc(F)c2)c1 | |
| 3228,CHEMBL4455506,1210.0,CCN(CC)Cc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1O | |
| 4929,CHEMBL5573388,1210.0,O=C(Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 | |
| 4263,CHEMBL4455506,1210.0,CCN(CC)Cc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1O | |
| 987,CHEMBL2151663,1210.0,C/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 | |
| 2232,CHEMBL3799798,1210.0,COc1ccc(C(=O)Cc2cc3c(cc2[N+](=O)[O-])C(=O)NC3=O)cc1 | |
| 3522,CHEMBL4533143,1210.0,Fc1ccc([C@@H]2C[C@H]2N[C@H]2CC[C@@H](Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1F | |
| 4806,CHEMBL5560065,1220.0,COc1cccc(CNC(=O)c2nc3ccc(O)cc3s2)c1OC | |
| 3352,CHEMBL4300905,1228.0,CCC(C)(C)c1ccc(OCCCCN2CCCC(C)C2)cc1 | |
| 937,CHEMBL2088304,1230.0,Cc1cccc(OCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | |
| 2869,CHEMBL4202755,1230.0,Oc1ccc(O)c(/C=N/c2ccc(OCc3ccccc3)cc2)c1 | |
| 4901,CHEMBL5583701,1233.0,O=c1c(-c2cc(-c3ccccc3)no2)csc2ccccc12 | |
| 1679,CHEMBL3394543,1236.0,O=c1oc2cc(NCc3ccccc3O)ccc2c2c1CCCC2 | |
| 860,CHEMBL2058697,1237.0,O=C1NC(=S)N/C1=C\c1c[nH]c2c(Br)cccc12 | |
| 3157,CHEMBL1543726,1240.0,Oc1nc(SCCOc2ccccc2)nc2ccccc12 | |
| 1323,CHEMBL3093179,1240.0,Cc1ccc(/C=C2\COc3cc(OCCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)cc1 | |
| 270,CHEMBL602259,1240.0,Cn1c(=O)c2c(nc(OCc3ccccc3)n2C)n(C)c1=O | |
| 32,CHEMBL2094028,1240.0,Cl.NC[C@H]1C[C@]1(F)c1ccccc1 | |
| 3104,CHEMBL4283463,1250.0,CCN(CC)CCOC(=O)/C=C/c1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1 | |
| 4613,CHEMBL5430666,1250.0,COc1cc(-c2ccc(C(=O)Nc3ccc4[nH]ncc4c3)cc2)cc(OC)c1OC | |
| 3923,CHEMBL4753501,1250.0,COc1ccc(-c2cnc3c4nccnc4nn3c2)cc1 | |
| 4047,CHEMBL4868641,1250.0,C#CCNC1CCc2c(SCCc3ccc(Br)cc3)cccc21 | |
| 146,CHEMBL489718,1250.0,CC(C)=CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(O)c1 | |
| 4926,CHEMBL1557663,1260.0,O=C(Nc1cccc(F)c1)c1ccc2c(c1)OCCO2 | |
| 4661,CHEMBL92401,1260.0,CC(C)NNC(=O)c1ccncc1 | |
| 3021,CHEMBL4239020,1260.0,COC(=O)C[C@H](Cc1ccc(OCc2cccc(Cl)c2)cc1)N(C)CC(=O)O | |
| 3198,CHEMBL4448692,1260.0,O=c1c2ccccc2cnn1Cc1noc(-c2ccc(C3=NCCN3)cc2)n1 | |
| 4832,CHEMBL4851999,1268.3,Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccccc3)nn2)cc1F | |
| 2508,CHEMBL4064449,1270.0,Cc1cccc(/C=N/c2ccc(C3=NNC(=O)CO3)cc2)c1 | |
| 1700,CHEMBL3398532,1270.0,N#Cc1cc2[nH]c(-c3cccs3)c(Cl)c2cc1C#N | |
| 1610,CHEMBL3319264,1280.0,COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl | |
| 1687,CHEMBL3394535,1283.0,Cc1c(Cl)c(=O)oc2cc(/N=C/c3ccc(O)cc3O)ccc12 | |
| 2710,CHEMBL4076993,1290.0,O=c1c(/C=N/c2ccc(Cl)cc2O)coc2ccc(Br)cc12 | |
| 106,CHEMBL512719,1290.0,Cc1cccc(C)c1NC(=O)c1cc2ccccc2oc1=O | |
| 5513,CHEMBL5749712,1300.0,NC/C(=C\F)COc1ccc2c(c1)CCN(C1CC1)C2=O | |
| 3465,CHEMBL4466019,1300.0,CCN(C)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2O)c1 | |
| 4667,CHEMBL241862,1300.0,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1 | |
| 1366,CHEMBL199600,1300.0,O=C(N/N=C/c1ccccc1O)c1ccc(O)cc1 | |
| 1932,CHEMBL199600,1300.0,O=C(N/N=C/c1ccccc1O)c1ccc(O)cc1 | |
| 3745,CHEMBL4636696,1300.0,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)C(O)=C(O)C1=O | |
| 3743,CHEMBL4640668,1300.0,CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)cc(O)c(O)c1O | |
| 5093,CHEMBL199600,1300.0,O=C(N/N=C/c1ccccc1O)c1ccc(O)cc1 | |
| 3229,CHEMBL4466019,1300.0,CCN(C)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2O)c1 | |
| 1611,CHEMBL3319262,1300.0,O=C(Nc1ccc(F)c(F)c1)c1ccc2cn[nH]c2c1 | |
| 5152,CHEMBL199600,1300.0,O=C(N/N=C/c1ccccc1O)c1ccc(O)cc1 | |
| 559,CHEMBL1766614,1310.0,COc1ccc(/C=C2\COc3ccccc3C2=O)c(OC)c1OC | |
| 4004,CHEMBL4868008,1310.0,C#CCNC1CCc2c(SCc3ccc(Br)cc3)cccc21 | |
| 4628,CHEMBL5428685,1320.0,COc1cc(-n2ncc3cc(NC(=O)c4ccccc4)ccc32)cc(OC)c1OC | |
| 769,CHEMBL1934040,1320.0,Fc1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)cc1 | |
| 2156,CHEMBL3771008,1321.0,O=C1COc2ccccc2C2CC(c3ccccc3Cl)=NN12 | |
| 1452,CHEMBL3218152,1330.0,Cc1sc(N/N=C2\CCCC2C)nc1-c1ccccc1 | |
| 716,CHEMBL1830141,1330.0,O=C(/C=C/c1cccc(O)c1)Nc1cccc(Cl)c1 | |
| 562,CHEMBL1766562,1330.0,COc1ccc(/C=C2\COc3ccccc3C2=O)c(O)c1 | |
| 4858,CHEMBL5570999,1336.0,NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)c(Cl)c1 | |
| 2352,CHEMBL3928434,1340.0,CCN(Cc1ccc(/C=C2\COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C | |
| 4285,CHEMBL5201468,1340.0,COC1=CC2Sc3ccc(Cl)cc3NC2C=C1 | |
| 242,CHEMBL599149,1340.0,COc1ccc(-c2cc(=O)c3ccc(F)cc3o2)cc1 | |
| 1342,CHEMBL3093238,1350.0,Cn1c(=O)c2c(nc3n2CCCN3CCc2cccc(Cl)c2)n(C)c1=O | |
| 3488,CHEMBL92401,1350.0,CC(C)NNC(=O)c1ccncc1 | |
| 2933,CHEMBL92401,1350.0,CC(C)NNC(=O)c1ccncc1 | |
| 4114,CHEMBL92401,1350.0,CC(C)NNC(=O)c1ccncc1 | |
| 3225,CHEMBL92401,1350.0,CC(C)NNC(=O)c1ccncc1 | |
| 3723,CHEMBL4566592,1350.0,Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(C(C)(C)C)cc2)n(C)c1=O | |
| 5188,CHEMBL4115673,1360.0,NC1CCC(N[C@@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5261,CHEMBL4115673,1360.0,NC1CCC(N[C@@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5349,CHEMBL4115673,1360.0,NC1CCC(N[C@@H]2C[C@@H]2c2ccccc2)CC1 | |
| 1317,CHEMBL3093170,1360.0,COc1ccc(/C=C2\COc3cc(OCCCCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)ccc3C2=O)cc1 | |
| 2404,CHEMBL4115673,1360.0,NC1CCC(N[C@@H]2C[C@@H]2c2ccccc2)CC1 | |
| 599,CHEMBL1806762,1365.0,Cn1c(=O)c2c(nc(OCC3CCCCC3)n2C)n(C)c1=O | |
| 1087,CHEMBL2312988,1368.0,CCCOc1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 | |
| 1479,CHEMBL3219204,1370.0,Cc1sc(N/N=C/c2ccncc2)nc1-c1ccccc1 | |
| 3202,CHEMBL4450798,1370.0,c1ccc(Oc2ccc(-c3noc(-c4ccc(C5=NCCN5)cc4)n3)cc2)cc1 | |
| 1220,CHEMBL2418203,1372.8,c1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 3032,CHEMBL4238492,1380.0,C[C@H](Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1)N(C)CC(=O)O | |
| 4227,CHEMBL5200833,1380.0,COc1ccccc1N1CCN(CCCCCOc2cc3c4c(nccc4c2)-c2ccccc2C3=O)CC1 | |
| 3657,CHEMBL1814064,1382.0,O=C(Nc1ccc(O)cc1)c1coc2ccccc2c1=O | |
| 3892,CHEMBL4747044,1387.0,O=c1c2cc(Cl)ccc2oc2ccc(OCCCCCCN3CCCCCC3)cc12 | |
| 1097,CHEMBL2313291,1390.0,Cn1c(=O)c2c(c3ccc(-c4cccc(Cl)c4)cc3n2C)n(C)c1=O | |
| 4520,CHEMBL458094,1390.0,COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(O)c1CC=C(C)C | |
| 2836,CHEMBL4162054,1390.0,C#CCNC1CCc2c(OCc3ccc(C(F)(F)F)cc3)cccc21 | |
| 1876,CHEMBL3613068,1396.0,COc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1 | |
| 1481,CHEMBL3219206,1400.0,Cc1sc(N/N=C/c2c[nH]c3ccccc23)nc1-c1ccccc1 | |
| 2001,CHEMBL3735739,1400.0,O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc[nH]1 | |
| 3744,CHEMBL4634400,1400.0,CC(C)=CCC/C(C)=C/CC1=C(C)C(=O)C(O)=C(O)C1=O | |
| 517,CHEMBL1642672,1400.0,O=C1Nc2ccc(CCc3ccccc3)cc2C1=O | |
| 1784,CHEMBL3415615,1400.0,C#CCN(C)CC(=C)c1cccc(CNc2ccccc2)c1.O=C(O)C(=O)O | |
| 3050,CHEMBL4281778,1400.0,O=[N+]([O-])c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 | |
| 2548,CHEMBL4073457,1400.0,O=C1CCc2ccc(OCCCCCCN3CCC(Cc4ccccc4)CC3)cc2N1 | |
| 3590,CHEMBL4466478,1409.0,CCCCN1CCC(Oc2ccc3c(C)c(C)c(=O)oc3c2)CC1 | |
| 2618,CHEMBL4089608,1410.0,Cc1c(C#N)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12 | |
| 1451,CHEMBL3218151,1410.0,Cc1sc(NN=C2CCCC2)nc1-c1ccccc1 | |
| 147,CHEMBL7976,1410.0,O=C(/C=C/c1ccccc1)c1ccccc1 | |
| 2837,CHEMBL4169976,1410.0,C#CCNC1CCc2c(OCc3ccc(F)c(F)c3)cccc21 | |
| 869,CHEMBL2058700,1417.0,CSC1=NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | |
| 4320,CHEMBL5181657,1420.0,CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCOCC4)c(O)c3)ccc21 | |
| 961,CHEMBL2151690,1420.0,C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1cc2ccccc2oc1=O | |
| 3855,CHEMBL4763989,1422.0,NC(=O)C1CN(Cc2ccc(OCc3cccc(F)c3)cc2)C1 | |
| 3862,CHEMBL4787223,1424.0,CC1(C)C[C@@H](C(N)=O)N(Cc2ccc(OCc3cccc(F)c3)cc2)C1 | |
| 2814,CHEMBL4162742,1427.0,C#CCN(C)Cc1cn(-c2cc(NC(=S)NCC)ncn2)cn1 | |
| 3505,CHEMBL193804,1430.0,N/C(S)=N/N=C/c1ccc([N+](=O)[O-])cc1 | |
| 4197,CHEMBL5202134,1440.0,COc1ccc(/N=N/c2ccc(C#N)c(C#N)c2)cc1-c1ccccc1 | |
| 1399,CHEMBL3120181,1440.0,C#CCCCOc1ccc2oc(=O)c(C(=O)OC)cc2c1 | |
| 1129,CHEMBL2332183,1450.0,COc1ccc(/C=C/C=C/C(=O)c2c(O)cccc2O)cc1OC | |
| 2991,CHEMBL4217355,1455.0,O=C1/C(=C/c2ccc(OCCCN3CCCCC3)cc2)Cc2ccc(OCc3ccc(Br)cc3)cc21 | |
| 4230,CHEMBL5196277,1460.0,O=C1c2ccccc2-c2nccc3cc(OCCCCCN4CCN(c5ccccc5)CC4)cc1c23 | |
| 1139,CHEMBL2332189,1460.0,O=C(/C=C/C=C/c1ccc(Cl)cc1)c1cc(Cl)ccc1O | |
| 2922,CHEMBL3094317,1462.0,Cl.NCc1ccc(OCc2ccccc2F)cc1 | |
| 3265,CHEMBL4520811,1469.5,C#CCN1CCCC(/C=C/c2ccc(F)cc2)C1 | |
| 250,CHEMBL9687,1470.0,COc1ccc2c(c1)OC(c1ccccc1)CC2=O | |
| 3995,CHEMBL4868937,1480.0,C#CCNC1CCc2c(SCc3cccc(F)c3)cccc21 | |
| 4028,CHEMBL4873465,1480.0,C#CCNC1CCc2c(SCc3ccc(F)cc3F)cccc21 | |
| 1095,CHEMBL2313293,1480.0,Cn1c(=O)c2c(cc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O | |
| 1918,CHEMBL3652426,1490.0,CN(C)c1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 5082,CHEMBL3652426,1490.0,CN(C)c1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 966,CHEMBL2151536,1490.0,N#Cc1ccc(-c2csc(N/N=C\c3ccco3)n2)cc1 | |
| 3408,CHEMBL4435127,1490.0,C#CCOc1ccc(-c2cc(-c3cccc(OCC#C)c3)nc(N)n2)cc1 | |
| 4224,CHEMBL5195369,1490.0,O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCN(c5ccccc5F)CC4)cc1c23 | |
| 3356,CHEMBL4301110,1495.0,CCC(C)(C)c1ccc(OCCCCCCCN2CCCCCC2)cc1 | |
| 3870,CHEMBL4750579,1498.0,O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCC3)cc12 | |
| 2351,CHEMBL3956126,1500.0,CCN(Cc1ccc(/C=C2\COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1OC | |
| 3214,CHEMBL4540199,1500.0,CCN(CC)CCCOc1ccc(/C=C/C(=O)c2ccc(OCCCN(CC)CC)cc2O)cc1 | |
| 56,CHEMBL356385,1500.0,C#CCN(C)C(C)Cc1cccc(OC(=O)N(C)CCCCCC)c1 | |
| 3643,CHEMBL4546301,1500.0,Cn1c(=O)c2c(nc3n2CCN(c2cccc(F)c2)C3)n(C)c1=O | |
| 1981,CHEMBL3651140,1500.0,CC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1 | |
| 4165,CHEMBL4453856,1500.0,Cc1c(C)c2ccc(OCC3CCCN(CCCO)C3)cc2oc1=O | |
| 4256,CHEMBL5188947,1500.0,Cc1ncc(/C=C/c2ccc(CN3CCCCC3)c(O)c2)c2c1OC(C)(C)OC2 | |
| 5137,CHEMBL3651140,1500.0,CC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1 | |
| 3401,CHEMBL3291021,1500.0,C#CCN(C)Cc1ccc(O)c2ncccc12 | |
| 2215,CHEMBL3786723,1500.0,COc1cc(O)c2c(c1)O/C(=C\c1ccc(N3CCOCC3)cc1)C2=O | |
| 3331,CHEMBL4453856,1500.0,Cc1c(C)c2ccc(OCC3CCCN(CCCO)C3)cc2oc1=O | |
| 3290,CHEMBL4592424,1506.6,C#CCN1CCC(/C=C\c2ccc(C(F)(F)F)cc2)CC1 | |
| 2915,CHEMBL4209668,1507.0,Cl.Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 | |
| 2201,CHEMBL3780160,1510.0,O=C(/C=C/c1cccc2c1OCO2)c1cccc(OC(F)(F)F)c1 | |
| 1766,CHEMBL3417293,1520.0,O=c1oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc2c2c1CCCC2 | |
| 5166,CHEMBL3901640,1520.0,COc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 1698,CHEMBL3398526,1520.0,COc1ccc(-c2c(Br)c3cc(C#N)c(C#N)cc3n2O)cc1 | |
| 2382,CHEMBL3901640,1520.0,COc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 4024,CHEMBL4864573,1520.0,C#CCNC1CCc2c(SCc3cccc(OC)c3)cccc21 | |
| 2507,CHEMBL4091433,1526.0,O=C1COC(c2ccc(/N=C/c3cccc(F)c3)cc2)=NN1 | |
| 4218,CHEMBL5173754,1530.0,O=C1c2ccccc2-c2nccc3cc(OCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc1c23 | |
| 1434,CHEMBL3218134,1530.0,CC/C(C)=N\Nc1nc(-c2ccccc2)c(C)s1 | |
| 2777,CHEMBL4163692,1530.0,Cc1ccc(COc2cccc(Br)c2)cc1 | |
| 3882,CHEMBL4784025,1538.0,CC1CCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)CC1 | |
| 830,CHEMBL537735,1540.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)cc1Cl | |
| 519,CHEMBL1642674,1540.0,O=C1Nc2ccc(Oc3ccccc3)cc2C1=O | |
| 826,CHEMBL1950706,1540.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(Br)c1 | |
| 3878,CHEMBL4796334,1548.0,CC1CCCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1 | |
| 2897,CHEMBL4203858,1550.0,NC(=O)c1ccc(OCc2cccc(F)c2)cc1 | |
| 2617,CHEMBL4104128,1550.0,Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12 | |
| 3929,CHEMBL4786674,1550.0,COc1cc2c(cc1OC)/C(=C/c1ccc(N3CCN(C)CC3)c(O)c1)OC2=O | |
| 4235,CHEMBL5199677,1550.0,COc1cc2c(cc1OC)CN(c1ccc(C=O)cc1)CC2 | |
| 2953,CHEMBL4207453,1552.0,C#CCN(CCCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(F)c1 | |
| 4003,CHEMBL4853325,1560.0,C#CCNC1CCc2c(SCc3ccc(C)cc3)cccc21 | |
| 1316,CHEMBL3093171,1560.0,COc1ccc(/C=C2\COc3cc(OCCCCCCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)ccc3C2=O)cc1 | |
| 2890,CHEMBL4218888,1568.0,Cl.NCCc1ccc(-c2cccc(C(F)(F)F)c2)cc1 | |
| 2982,CHEMBL4205520,1570.0,Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1.[Br-] | |
| 573,CHEMBL1766552,1570.0,COc1ccc(/C=C2\COc3cc(OC)cc(OC)c3C2=O)cc1 | |
| 825,CHEMBL1950705,1580.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccccc1Br | |
| 1094,CHEMBL39898,1580.0,Cn1c(=O)c2c(cc(/C=C/c3ccccc3)n2C)n(C)c1=O | |
| 1062,CHEMBL2204766,1580.0,N#Cc1ccc(SCc2ccccc2)cc1 | |
| 4622,CHEMBL5423119,1580.0,COc1cc(-c2ccc(-c3noc(-c4ccc5[nH]ncc5c4)n3)cc2)cc(OC)c1OC | |
| 4192,CHEMBL5185134,1590.0,CCN(CC)Cc1ccc(C=C2Cc3cc(OC)ccc3C2=O)cc1 | |
| 3069,CHEMBL4288185,1590.0,CCN(CCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1)Cc1ccccc1 | |
| 1751,CHEMBL3417309,1590.0,O=c1ccc2ccc(OCCCCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 2192,CHEMBL3780524,1600.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1 | |
| 1840,CHEMBL3605354,1600.0,c1ccc2c(c1)c1cnccc1n2CCCCCCCn1c2ccccc2c2cnccc21 | |
| 3222,CHEMBL4543178,1600.0,CCN(CC)CCCCCCOc1ccc(/C=C/C(=O)c2ccc(OCCCCCCN(CC)CC)cc2O)cc1 | |
| 4336,CHEMBL4125735,1601.0,O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N[C@H]3CCNC3)nc3ccccc3c21 | |
| 236,CHEMBL599547,1610.0,Cc1ccc(-c2cc(=S)c3ccc(F)cc3o2)cc1 | |
| 935,CHEMBL2088302,1610.0,Cn1c(=O)c2c(nc(COc3cccc(F)c3)n2C)n(C)c1=O | |
| 855,CHEMBL2029549,1610.0,C[C@@H](NC(=O)c1ccc(OC/C(F)=C\CN)cc1)c1ccccc1 | |
| 3477,CHEMBL92401,1620.0,CC(C)NNC(=O)c1ccncc1 | |
| 4388,CHEMBL5219890,1630.0,C#CCNCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O | |
| 2158,CHEMBL3770839,1634.0,Cc1ccc(C2=NN3C(=O)COc4ccc(Cl)cc4C3C2)cc1 | |
| 2715,CHEMBL4096448,1640.0,Cc1ccc2occ(/C=N/c3cc([N+](=O)[O-])ccc3O)c(=O)c2c1 | |
| 851,CHEMBL2029545,1640.0,NC/C=C(/F)COc1ccc(C(=O)NC2CCCC2)cc1 | |
| 3885,CHEMBL4741039,1642.0,CC1CCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)CC1 | |
| 5022,CHEMBL5633536,1650.0,O=C(Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1)c1cnccn1 | |
| 3850,CHEMBL4786012,1664.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1C1CC1)C(N)=O | |
| 4979,CHEMBL5594553,1670.0,O=C1/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)Oc2cc(O)ccc21 | |
| 2949,CHEMBL4216262,1676.0,C#CCN(CCCCOc1ccc2ccc(=O)oc2c1)Cc1ccc(C)cc1 | |
| 2754,CHEMBL4163558,1680.0,Cc1c2c(nn1-c1ccc(/C=N/NC(=S)Nc3cccc(F)c3)cc1)-c1ccccc1S(=O)(=O)N2C | |
| 313,CHEMBL1213843,1680.0,COc1cccc(-c2csc(N/N=C(\C)c3ccco3)n2)c1 | |
| 1119,CHEMBL2332170,1680.0,COc1cc(/C=C/C(O)=C/C(=O)c2c(O)cccc2OC)ccc1O | |
| 1683,CHEMBL3394539,1681.0,Cc1c(C)c2ccc(/N=C/c3ccccc3O)cc2[nH]c1=O | |
| 3509,CHEMBL8706,1690.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1716,CHEMBL3402193,1690.0,Clc1ccc(OCCOc2ccc3c(c2)OCO3)cc1 | |
| 4664,CHEMBL3823220,1700.0,O=C(/C=C/c1cccc(O)c1)c1ccccc1O | |
| 2731,CHEMBL4127454,1700.0,C[C@@H]1Oc2ccc(Nc3ncnc4c3oc3ccccc34)cc2NC1=O | |
| 2546,CHEMBL4083836,1700.0,CCN(CCCCCCOc1ccc2c(c1)NC(=O)CC2)Cc1ccccc1 | |
| 3363,CHEMBL4530974,1700.0,C#CCNCc1ccc(C/N=C2/C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1 | |
| 2615,CHEMBL4066437,1700.0,O=c1ccc2ccc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)cc2o1 | |
| 2350,CHEMBL3984772,1720.0,CCN(Cc1ccccc1)Cc1ccc(/C=C2\COc3cc(OC)c(OC)cc3C2=O)cc1O | |
| 2433,CHEMBL4101723,1730.0,CN(CCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1 | |
| 2243,CHEMBL3804976,1730.0,O=C1/C(=C/c2ccsc2)COc2ccccc21 | |
| 2870,CHEMBL4207619,1730.0,Oc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)c(O)c1O | |
| 3305,CHEMBL4531803,1737.0,C#CCN1CCC(/C=C/c2ccc(C(N)=O)cc2)CC1 | |
| 4844,CHEMBL5575791,1739.0,NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(F)c1 | |
| 4621,CHEMBL5404978,1740.0,COc1cc(-c2cccc(COc3ccc4[nH]ncc4c3)c2)cc(OC)c1OC | |
| 2345,CHEMBL3943883,1740.0,COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN3CCCCC3)c(O)c1)CO2 | |
| 4845,CHEMBL5570372,1744.0,NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(Cl)c1 | |
| 3296,CHEMBL4468776,1745.3,C#CCN1CCC(/C=C\c2ccc(C#N)cc2)CC1 | |
| 2764,CHEMBL4166659,1760.0,CN1c2c(nn(-c3ccc(/C=N/NC(=S)Nc4cccc(F)c4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O | |
| 2669,CHEMBL92401,1760.0,CC(C)NNC(=O)c1ccncc1 | |
| 1758,CHEMBL3417302,1770.0,Cc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12 | |
| 3976,CHEMBL4875217,1779.0,Cc1ccc(NC(=O)C2COc3ccccc3C2)cc1C | |
| 2708,CHEMBL4082043,1780.0,O=c1c(/C=N/c2cc(F)ccc2O)coc2ccccc12 | |
| 2549,CHEMBL92401,1780.0,CC(C)NNC(=O)c1ccncc1 | |
| 3432,CHEMBL92401,1780.0,CC(C)NNC(=O)c1ccncc1 | |
| 2704,CHEMBL4086270,1780.0,O=c1c(/C=N/c2ccc(Cl)cc2O)coc2ccccc12 | |
| 2693,CHEMBL92401,1780.0,CC(C)NNC(=O)c1ccncc1 | |
| 2155,CHEMBL3770481,1782.0,O=C1COc2ccccc2C2CC(c3ccc(F)cc3)=NN12 | |
| 4836,CHEMBL5560701,1786.67,Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCOCC4)cc3)nn2)cc1F | |
| 1402,CHEMBL3121868,1790.0,C#CCOc1ccc2cc(C(=O)OC)c(=O)oc2c1 | |
| 2219,CHEMBL3797630,1790.0,COc1ccc(-c2cc3cc(C#N)c(C#N)cc3n2O)cc1 | |
| 1454,CHEMBL3218154,1790.0,Cc1sc(NN=C2CCCCC2)nc1-c1ccccc1 | |
| 1319,CHEMBL3093167,1790.0,COc1ccccc1/C=C1\COc2cc(OCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccc2C1=O | |
| 3467,CHEMBL4448344,1800.0,CCN(CC)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2O)c1 | |
| 2677,CHEMBL4063278,1800.0,CC(=O)c1ccc(OCCCCN2CCCC2)cc1O | |
| 1360,CHEMBL3093311,1800.0,C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2OC)n(C)c1=O | |
| 673,CHEMBL1830825,1800.0,O=C(O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O | |
| 4809,CHEMBL5568155,1800.0,COc1cc(CNC(=O)c2nc3ccc(O)cc3s2)cc(OC)c1 | |
| 2075,CHEMBL3759239,1800.0,c1ccc([C@H]2C[C@@H]2NCC2CCNCC2)cc1 | |
| 2911,CHEMBL4212574,1803.0,Cl.NCCc1ccc(OCc2ccccc2C(F)(F)F)cc1 | |
| 1054,CHEMBL2204774,1810.0,N#Cc1ccc(SCCc2ccccc2)cc1 | |
| 1133,CHEMBL2332178,1810.0,COc1ccc(/C=C/C=C/C(=O)c2ccccc2O)cc1 | |
| 4977,CHEMBL5591688,1810.0,O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)Oc2cc(O)ccc21 | |
| 4626,CHEMBL5433292,1810.0,COc1cc(-c2cccc(-c3nc(-c4ccc5[nH]ncc5c4)no3)c2)cc(OC)c1OC | |
| 4391,CHEMBL5219078,1810.0,C/C(=N\NCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O)c1cccs1 | |
| 3874,CHEMBL4785098,1821.0,O=c1c2cc(Cl)ccc2oc2ccc(OCCCCCCN3CCCCC3)cc12 | |
| 3879,CHEMBL4793206,1830.0,CC1CCCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1 | |
| 5179,CHEMBL4113904,1840.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 2395,CHEMBL4113904,1840.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 3054,CHEMBL4286834,1840.0,C#CCn1ccc2ccc(OC(=O)N(CC)CC)cc21 | |
| 4372,CHEMBL4286834,1840.0,C#CCn1ccc2ccc(OC(=O)N(CC)CC)cc21 | |
| 5340,CHEMBL4113904,1840.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 5252,CHEMBL4113904,1840.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 752,CHEMBL1927666,1860.0,Cn1c(=O)c2c(nc(SCc3ccccc3)n2C)n(C)c1=O | |
| 3258,CHEMBL4559265,1860.0,C#CCNC1CCc2c(NCc3cccc(F)c3)cccc21 | |
| 3881,CHEMBL4797681,1864.0,CC1CCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1 | |
| 2834,CHEMBL4163351,1870.0,C#CCNC1CCc2c(OCc3ccc(F)cc3)cccc21 | |
| 3189,CHEMBL4513314,1870.0,N#Cc1cccc(C2=NCCN2)c1 | |
| 2436,CHEMBL4064738,1880.0,CCN(CCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1OC | |
| 1696,CHEMBL3394526,1882.0,Cc1cc(=O)oc2cc(/N=C/c3ccc(O)cc3O)ccc12 | |
| 3281,CHEMBL4454737,1883.9,C#CCN1CCC(/C=C\c2ccc(C(C)C)cc2)CC1 | |
| 4381,CHEMBL5220565,1890.0,C#CCNc1ccc(/C=C2/SC(=O)NC2=O)cc1 | |
| 3248,CHEMBL4538999,1900.0,C#CCNC1CCc2c(OCCc3cccc4ccccc34)cccc21 | |
| 5115,CHEMBL3651113,1900.0,c1ccc(C2C[C@@H]2NCc2cnc3ccccc3c2)cc1 | |
| 3374,CHEMBL4586379,1900.0,CO[C@@H](c1ccc(O)cc1)[C@H](Oc1ccc(/C=C/c2cc(O)c3c(c2)OC(C)(C)CC3)cc1)c1cc(O)c(CC=C(C)C)c(O)c1 | |
| 3379,CHEMBL14638,1900.0,O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1 | |
| 3994,CHEMBL4875992,1900.0,C#CCNC1CCc2c(SCc3ccc(OC)cc3)cccc21 | |
| 1980,CHEMBL3651113,1900.0,c1ccc(C2C[C@@H]2NCc2cnc3ccccc3c2)cc1 | |
| 4680,CHEMBL5435172,1900.0,CCN(C)C(=O)Oc1ccccc1C(=O)/C=C/c1ccc(F)cc1 | |
| 1769,CHEMBL3415804,1900.0,C#CCN(C)CC(=C)c1ccoc1.O=C(O)C(=O)O | |
| 3360,CHEMBL4474332,1910.0,Nc1ccc(C/N=C2/C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1 | |
| 1244,CHEMBL2417772,1910.0,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2C)cc1 | |
| 4976,CHEMBL5590774,1910.0,O=C1/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)Oc2cc(O)ccc21 | |
| 3732,CHEMBL4549927,1917.0,COc1ccccc1CN1CCCCn2c1nc1c2c(=O)n(C)c(=O)n1C | |
| 541,CHEMBL1761759,1920.0,O=c1oc2ccccc2cc1-c1c[nH]c2ccccc12 | |
| 560,CHEMBL1766612,1920.0,COc1cccc(/C=C2\COc3ccccc3C2=O)c1OC | |
| 2100,CHEMBL3765442,1930.0,Cc1cc(=O)oc2cc(CNC3CCN(Cc4ccccc4)CC3)ccc12 | |
| 2992,CHEMBL4218833,1931.0,O=C1/C(=C/c2ccc(OCCCN3CCCCC3)cc2)Cc2cc(F)ccc21 | |
| 4688,CHEMBL5413841,1933.0,COc1ccccc1-c1cc2cc(CN3CC[C@H]3C(N)=O)ccc2o1 | |
| 4802,CHEMBL5560401,1940.0,COc1cccc(CNC(=O)c2nc3ccc(O)cc3s2)c1 | |
| 4193,CHEMBL5209347,1940.0,CCN(CC)Cc1ccc(/C=C2/Cc3cc(OC)ccc3C2=O)cc1 | |
| 2224,CHEMBL3800320,1940.0,CC(=O)On1c(-c2cccs2)cc2cc(C#N)c(C#N)cc21 | |
| 3382,CHEMBL4173258,1940.0,C#CCN(C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C | |
| 2558,CHEMBL4092608,1945.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3ccc(OC)cc3)cc2)nc2ccccc21 | |
| 3016,CHEMBL92401,1950.0,CC(C)NNC(=O)c1ccncc1 | |
| 2218,CHEMBL92401,1950.0,CC(C)NNC(=O)c1ccncc1 | |
| 2469,CHEMBL92401,1950.0,CC(C)NNC(=O)c1ccncc1 | |
| 2368,CHEMBL92401,1950.0,CC(C)NNC(=O)c1ccncc1 | |
| 2356,CHEMBL92401,1950.0,CC(C)NNC(=O)c1ccncc1 | |
| 1502,CHEMBL3220509,1950.0,O=C(Nc1cc2ccccc2oc1=O)c1ccc(Cl)cc1 | |
| 2125,CHEMBL3770608,1950.0,CC(=O)c1cccc(OCc2ccccc2)c1 | |
| 1458,CHEMBL3218158,1960.0,Cc1sc(NN=C2CCCCCC2)nc1-c1ccccc1 | |
| 2778,CHEMBL300575,1960.0,O=Cc1cccc(OCc2ccccc2)c1 | |
| 115,CHEMBL469976,1960.0,O=C(NCc1ccccc1)c1cc2ccccc2oc1=O | |
| 938,CHEMBL2088305,1960.0,COc1cccc(OCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | |
| 4323,CHEMBL5202147,1960.0,CCCCC1OC(=O)c2cc(OCc3ccc(CN(CC)Cc4ccccc4)c(O)c3)ccc21 | |
| 2557,CHEMBL4077045,1967.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2)nc2ccccc21 | |
| 2831,CHEMBL4168286,1970.0,C#CCNC1CCc2c(OCc3ccccc3)cccc21 | |
| 3932,CHEMBL92401,1970.0,CC(C)NNC(=O)c1ccncc1 | |
| 2197,CHEMBL3782038,1970.0,COc1cccc(/C=C/C(=O)c2ccc(S(C)(=O)=O)cc2)c1OC | |
| 2776,CHEMBL4175017,1980.0,Cc1cccc(COc2cccc(Br)c2)c1 | |
| 3876,CHEMBL4757387,1980.0,CC1CCCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1 | |
| 2375,CHEMBL2418203,2000.0,c1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 5159,CHEMBL2418203,2000.0,c1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 1753,CHEMBL3417307,2000.0,O=c1ccc2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 1983,CHEMBL3651102,2000.0,FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cn1 | |
| 969,CHEMBL2151540,2000.0,C/C(=N/Nc1nc(-c2ccc(C#N)cc2)cs1)c1nccs1 | |
| 5105,CHEMBL3651102,2000.0,FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cn1 | |
| 4367,CHEMBL5219232,2000.0,C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21.C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21 | |
| 866,CHEMBL2058704,2000.0,C/N=C1\NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | |
| 674,CHEMBL1501880,2010.0,CC(=O)c1cc2c(ccc3ccccc32)oc1=O | |
| 4618,CHEMBL5409741,2020.0,COc1cc(-c2ccc(NC(=O)c3ccc4[nH]ncc4c3)cc2)cc(OC)c1OC | |
| 4978,CHEMBL5591367,2020.0,O=C1/C(=C/c2cccc(OCc3cccc(Br)c3)c2)Oc2cc(O)ccc21 | |
| 2443,CHEMBL4083301,2020.0,CCN(CCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1N(C)C | |
| 2901,CHEMBL4210784,2023.0,NC(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 | |
| 2723,CHEMBL4092886,2030.0,Cc1ccc2occ(/C=N/c3ncccc3O)c(=O)c2c1 | |
| 2497,CHEMBL4068808,2033.0,CN1N=C(c2ccc(/N=C/c3cccc(Cl)c3)cc2)OCC1=O | |
| 3680,CHEMBL4574549,2038.0,Cc1ccc(OC(=O)c2coc3ccccc3c2=O)cc1 | |
| 2421,CHEMBL3900398,2040.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)s2)CC1 | |
| 5205,CHEMBL3900398,2040.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)s2)CC1 | |
| 1238,CHEMBL2417750,2040.0,Cc1ccccc1C1CC(c2ccc(O)cc2O)=NN1C | |
| 5366,CHEMBL3900398,2040.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)s2)CC1 | |
| 5278,CHEMBL3900398,2040.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)s2)CC1 | |
| 3349,CHEMBL4473751,2070.0,CCC(C)(C)c1ccc(OCCCN2CCC(C)CC2)cc1 | |
| 1242,CHEMBL2417774,2070.0,CN1N=C(c2ccc(O)cc2)CC1c1cccc(Cl)c1 | |
| 260,CHEMBL596690,2070.0,Cc1ccc(C2CC(=O)c3ccccc3O2)cc1 | |
| 4398,CHEMBL408,2070.0,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | |
| 329,CHEMBL408,2070.0,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | |
| 4326,CHEMBL5193286,2070.0,CCCCC1OC(=O)c2cc(OCc3ccccc3O)ccc21 | |
| 4815,CHEMBL5537070,2090.0,O=C(NCc1ccc(-c2ccccc2)cc1)c1nc2ccc(O)cc2s1 | |
| 1921,CHEMBL3651147,2100.0,c1ccc(COc2ccc(C3C[C@@H]3NCc3ccccn3)cc2)cc1 | |
| 1471,CHEMBL3219198,2100.0,C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccco1 | |
| 1277,CHEMBL2420793,2100.0,O=C(/C=C/c1cccc(Cl)c1)c1ccco1 | |
| 1991,CHEMBL2420793,2100.0,O=C(/C=C/c1cccc(Cl)c1)c1ccco1 | |
| 4420,CHEMBL5289846,2100.0,O=c1cc(-c2ccc(Cl)cc2)oc2ccc(Cn3cc(Nc4ccc(F)cc4)nn3)cc12 | |
| 5142,CHEMBL3651147,2100.0,c1ccc(COc2ccc(C3C[C@@H]3NCc3ccccn3)cc2)cc1 | |
| 3212,CHEMBL4461873,2100.0,O=C(/C=C/c1ccc(OCCCN2CCCCC2)cc1)c1ccc(OCCCN2CCCCC2)cc1O | |
| 2043,CHEMBL126,2100.0,CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | |
| 4099,CHEMBL4876641,2100.0,CCN(CCCCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1N(C)C | |
| 4105,CHEMBL4872327,2100.0,CCN(CCCCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1 | |
| 4782,CHEMBL5394700,2100.0,COc1ncc(C(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)cn1 | |
| 4681,CHEMBL5411972,2100.0,CCN(CC)C(=O)Oc1ccccc1C(=O)/C=C/c1ccc(F)cc1 | |
| 2361,CHEMBL3883374,2100.0,CCN(C)C(=O)Oc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1 | |
| 1781,CHEMBL3415802,2100.0,C#CCN(C)CC(=C)c1cccc(OCc2ccccc2)c1.O=C(O)C(=O)O | |
| 2993,CHEMBL14638,2100.0,O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1 | |
| 3384,CHEMBL14638,2100.0,O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1 | |
| 3030,CHEMBL4241410,2109.0,COc1cccc(COc2ccc(C[C@@H](C)N(C)CC(=O)O)cc2)c1 | |
| 4255,CHEMBL5195416,2110.0,Cc1ncc(/C=C/c2ccc(CN3CCCCC3)c(O)c2)c(CO)c1O | |
| 2886,CHEMBL4209564,2110.0,Cl.NCCc1ccc(-c2cccc(Cl)c2)cc1 | |
| 3888,CHEMBL4789324,2111.0,O=c1c2ccc(Cl)cc2oc2ccc(OCCCCCN3CCCCCC3)cc12 | |
| 4539,CHEMBL5280820,2117.0,C#CCNCc1ccc2c(c1)ncn2-c1cc(NC(=S)NCC)ncn1 | |
| 1884,CHEMBL1801963,2118.0,COc1cccc(C(=O)/C=C/c2ccccc2C(F)(F)F)c1 | |
| 3623,CHEMBL4574304,2130.0,Cn1c(=O)c2c(nc3n2CCN(C2CCc4ccccc42)C3)n(C)c1=O | |
| 1069,CHEMBL1987137,2130.0,N#Cc1ccc(Sc2ccccc2)cc1C#N | |
| 2071,CHEMBL3741782,2130.0,O=C1COc2cc(OCCc3ccccc3)ccc21 | |
| 3622,CHEMBL4456327,2150.0,Cn1c(=O)c2c(nc3n2CCN([C@@H]2CCc4ccccc42)C3)n(C)c1=O | |
| 4223,CHEMBL5206039,2160.0,O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc1c23 | |
| 4805,CHEMBL5567546,2160.0,Cc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1 | |
| 2960,CHEMBL4208757,2160.0,Cc1ccc2oc(=O)c(-c3ccc(Br)nn3)cc2c1 | |
| 1577,CHEMBL3360733,2170.0,Cc1ccc2oc(=O)c(-c3ccccc3N)cc2c1 | |
| 4142,CHEMBL5080624,2176.0,C[C@@H]1C[C@@H](C(N)=O)N(Cc2ccc(OCc3cccc(F)c3)cc2)C1 | |
| 1442,CHEMBL3218142,2190.0,c1ccc2cc(-c3csc(NN=C4CCCC4)n3)ccc2c1 | |
| 2985,CHEMBL4218281,2190.0,Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(Br)c4)cc3)ccc12.[Br-] | |
| 4149,CHEMBL5079039,2192.0,NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F | |
| 3267,CHEMBL4592809,2195.6,C#CCN1CCCC(/C=C/c2cc(F)c(F)cc2F)C1 | |
| 1938,CHEMBL3651124,2200.0,c1ccc(C2C[C@@H]2NCc2ccc3c(c2)OCO3)cc1 | |
| 259,CHEMBL241909,2200.0,COc1ccc(C2CC(=O)c3ccccc3O2)cc1 | |
| 1320,CHEMBL3093166,2200.0,COc1cccc(/C=C2\COc3cc(OCCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)c1 | |
| 1338,CHEMBL3093241,2200.0,Cn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n(C)c1=O | |
| 2444,CHEMBL4093565,2200.0,CCN(CCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccc(N(C)C)cc1 | |
| 3047,CHEMBL4294686,2200.0,C[C@@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 | |
| 710,CHEMBL1830135,2200.0,O=C(/C=C/C=C/c1ccccc1)Nc1cccc(Cl)c1 | |
| 5126,CHEMBL3651124,2200.0,c1ccc(C2C[C@@H]2NCc2ccc3c(c2)OCO3)cc1 | |
| 3865,CHEMBL4779131,2206.0,NC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F | |
| 3106,CHEMBL4293612,2210.0,CN(C)CCOC(=O)/C=C/c1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1 | |
| 4780,CHEMBL8706,2210.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3242,CHEMBL8706,2210.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 850,CHEMBL2029544,2210.0,CN(Cc1ccccc1)C(=O)c1ccc(OC/C(F)=C\CN)cc1 | |
| 3991,CHEMBL8706,2212.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1478,CHEMBL1984764,2220.0,Cc1sc(N/N=C/c2cccnc2)nc1-c1ccccc1 | |
| 345,CHEMBL1241294,2230.0,CC1CCC/C(=N/Nc2nc(-c3ccccc3)cs2)C1 | |
| 5257,CHEMBL4115532,2230.0,CS(=O)(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 2722,CHEMBL457577,2230.0,O=c1c(/C=N/c2ncccc2O)coc2ccccc12 | |
| 3642,CHEMBL4556251,2230.0,Cn1c(=O)c2c(nc3n2CCN(c2ccc(F)cc2)C3)n(C)c1=O | |
| 5184,CHEMBL4115532,2230.0,CS(=O)(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 5345,CHEMBL4115532,2230.0,CS(=O)(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 1476,CHEMBL3219202,2230.0,C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1 | |
| 2400,CHEMBL4115532,2230.0,CS(=O)(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 827,CHEMBL1950707,2250.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccccc1Cl | |
| 4684,CHEMBL5420059,2250.0,C[C@H](NCc1ccc2oc(-c3cccc(F)c3)cc2c1)C(N)=O | |
| 1754,CHEMBL3417306,2260.0,O=c1ccc2ccc(OCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 5198,CHEMBL4114950,2270.0,N[C@H]1CC[C@@H](N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 5359,CHEMBL4114950,2270.0,N[C@H]1CC[C@@H](N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 2414,CHEMBL4114950,2270.0,N[C@H]1CC[C@@H](N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 5271,CHEMBL4114950,2270.0,N[C@H]1CC[C@@H](N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 2709,CHEMBL4101899,2270.0,O=c1c(/C=N/c2cccc(Cl)c2O)coc2ccc(Br)cc12 | |
| 1604,CHEMBL3319271,2270.0,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nncn2c1 | |
| 4876,CHEMBL5565616,2273.0,COC(=O)c1c(OCc2ccc(S(N)(=O)=O)cc2)ccc2c(C)cc(=O)oc12 | |
| 3065,CHEMBL4293966,2280.0,CN(CCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1)Cc1ccccc1 | |
| 3192,CHEMBL4559051,2280.0,Cn1ccnc1SCc1ccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1 | |
| 3112,CHEMBL4285714,2280.0,CN(C)CCOC(=O)/C=C/c1ccc2oc(C(=O)Nc3ccccc3)cc(=O)c2c1 | |
| 334,CHEMBL1222281,2290.0,N#CCCN1C(=O)S/C(=C\c2ccccc2)C1=O | |
| 1756,CHEMBL3417304,2290.0,O=c1ccc2ccc(OCCCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 1461,CHEMBL3218161,2290.0,C/C(=N\Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccco1 | |
| 4604,CHEMBL5419856,2290.0,Cc1ccc(C(=O)Nc2c(O)ccc3c(C)cc(=O)oc23)cc1 | |
| 635,CHEMBL1222281,2290.0,N#CCCN1C(=O)S/C(=C\c2ccccc2)C1=O | |
| 4102,CHEMBL4874405,2300.0,CCN(CCCCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccc(N(C)C)cc1 | |
| 1958,CHEMBL3651148,2300.0,COc1ccccc1CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1 | |
| 1970,CHEMBL3651105,2300.0,COc1cccc(CN[C@H]2CC2c2ccccc2)n1 | |
| 4829,CHEMBL3910400,2300.0,CC(C)(C)NC(=O)c1ccc(OC/C(=C/F)CN)cc1 | |
| 5143,CHEMBL3651148,2300.0,COc1ccccc1CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1 | |
| 4467,CHEMBL5277111,2300.0,O=C1CC(n2ccc3ccccc32)Oc2ccccc21 | |
| 3739,CHEMBL4642649,2300.0,CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(O)c(C=O)c1C | |
| 5108,CHEMBL3651105,2300.0,COc1cccc(CN[C@H]2CC2c2ccccc2)n1 | |
| 1435,CHEMBL3218135,2310.0,CCC/C(C)=N\Nc1nc(-c2ccccc2)c(C)s1 | |
| 1459,CHEMBL3218159,2310.0,Cc1sc(NN=C2CCCCCCC2)nc1-c1ccccc1 | |
| 1453,CHEMBL3218153,2310.0,Cc1sc(N/N=C2\CCC(C)C2)nc1-c1ccccc1 | |
| 4834,CHEMBL5566193,2310.0,Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(-c4ccncc4)cc3)nn2)cc1F | |
| 1428,CHEMBL3218128,2320.0,CC/C(C)=N/Nc1nc(-c2ccc3ccccc3c2)cs1 | |
| 616,CHEMBL1814067,2330.0,COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1OC | |
| 1294,CHEMBL2430704,2330.0,O=C1CCc2cc(OCCc3ccccc3)ccc2N1 | |
| 2952,CHEMBL4202569,2339.0,C#CCN(CCCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC)c1 | |
| 1473,CHEMBL3219199,2340.0,C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1cccs1 | |
| 3805,CHEMBL92401,2340.0,CC(C)NNC(=O)c1ccncc1 | |
| 3804,CHEMBL8706,2340.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2718,CHEMBL4090445,2340.0,Cc1ccc2occ(/C=N/c3cc(F)ccc3O)c(=O)c2c1 | |
| 2954,CHEMBL4214760,2369.0,C#CCN(CCCCOc1ccc2ccc(=O)oc2c1)Cc1ccc(F)c(F)c1 | |
| 69,CHEMBL457535,2370.0,COc1ccc(-c2csc(N/N=C3/CCCCC3C)n2)cc1 | |
| 1749,CHEMBL3417311,2370.0,O=c1ccc2ccc(OCCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 3108,CHEMBL4284235,2370.0,Cc1ccc(NC(=O)c2coc3ccc(/C=C/C(=O)OCCN(C)C)cc3c2=O)cc1 | |
| 380,CHEMBL399353,2370.0,COc1ccc(-c2csc(N/N=C3\CCCCC3C)n2)cc1 | |
| 4975,CHEMBL5595673,2370.0,O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)Oc2cc(O)ccc21 | |
| 131,CHEMBL470008,2370.0,CN(C(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O)c1ccccc1 | |
| 410,CHEMBL399353,2373.0,COc1ccc(-c2csc(N/N=C3\CCCCC3C)n2)cc1 | |
| 246,CHEMBL16861,2380.0,Cc1ccc(-c2cc(=O)c3ccccc3o2)cc1 | |
| 622,CHEMBL602048,2380.0,CC(C)(C)c1cc(CC2SC(=O)N=C2O)cc(C(C)(C)C)c1O | |
| 2096,CHEMBL3764644,2380.0,Cc1cc2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2oc1=O | |
| 770,CHEMBL1934041,2390.0,COc1ccc(/C=N/Nc2nc(-c3ccc(F)cc3)cs2)cc1OC | |
| 3370,CHEMBL518935,2390.0,Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 | |
| 4321,CHEMBL5183299,2390.0,CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCN(C)CC4)c(O)c3)ccc21 | |
| 2249,CHEMBL3805869,2390.0,Nc1ccc(/C=C2\COc3ccccc3C2=O)cn1 | |
| 2768,CHEMBL4164511,2390.0,CN1c2c(nn(-c3ccc(/C=N/NC(N)=S)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O | |
| 5125,CHEMBL3651123,2400.0,c1ccc(C2C[C@@H]2NCc2ccc3c(c2)CCO3)cc1 | |
| 1946,CHEMBL3651123,2400.0,c1ccc(C2C[C@@H]2NCc2ccc3c(c2)CCO3)cc1 | |
| 1111,CHEMBL2333935,2400.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 | |
| 4101,CHEMBL4858987,2400.0,CCN(CCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccc(N(C)C)cc1 | |
| 3003,CHEMBL3989843,2400.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 5361,CHEMBL3965283,2410.0,N[C@H]1CC[C@@H](N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 5200,CHEMBL3965283,2410.0,N[C@H]1CC[C@@H](N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 4287,CHEMBL89626,2410.0,Nc1ccc2c(c1N)C(=O)c1ccccc1C2=O | |
| 2416,CHEMBL3965283,2410.0,N[C@H]1CC[C@@H](N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 437,CHEMBL248049,2411.0,CC1CCC(=NNc2nc(-c3ccc(Cl)cc3)cs2)CC1 | |
| 2258,CHEMBL3925000,2420.0,O=C1/C(=C/c2ccccc2)Cc2ccc(O)cc21 | |
| 3997,CHEMBL4873465,2430.0,C#CCNC1CCc2c(SCc3ccc(F)cc3F)cccc21 | |
| 2343,CHEMBL3952627,2430.0,CCN(CC)Cc1ccc(/C=C2\COc3cc(OC)c(OC)cc3C2=O)cc1O | |
| 2452,CHEMBL8706,2430.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 868,CHEMBL2058701,2433.0,CSC1=NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | |
| 2399,CHEMBL4110167,2450.0,CC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 2010,CHEMBL3735913,2450.0,Cc1ccc2oc(=O)c(-c3cccc(OCCBr)c3)cc2c1 | |
| 5344,CHEMBL4110167,2450.0,CC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 2928,CHEMBL426110,2450.0,O=C1/C(=C/c2ccc(O)cc2)Oc2cc(O)ccc21 | |
| 5183,CHEMBL4110167,2450.0,CC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 3627,CHEMBL4474238,2450.0,Cn1c(=O)c2c(nc3n2CCN(CCc2ccc(Cl)cc2Cl)C3)n(C)c1=O | |
| 4552,CHEMBL105360,2450.0,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O | |
| 1436,CHEMBL3218136,2450.0,CC/C(C)=N/Nc1nc(-c2ccccc2)c(C)s1 | |
| 5256,CHEMBL4110167,2450.0,CC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 2109,CHEMBL3769915,2460.0,CC(=O)N1N=C(c2ccccc2C)OC1c1ccc(Cl)c(Cl)c1 | |
| 4608,CHEMBL5404959,2470.0,Cc1cc(=O)oc2c(NC(=O)c3ccc(Cl)c(Cl)c3)c(O)ccc12 | |
| 4827,CHEMBL8706,2480.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2358,CHEMBL3883661,2480.0,CN(C)C(=O)Oc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1 | |
| 4630,CHEMBL8706,2480.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2913,CHEMBL4217004,2483.0,Cl.Nc1ccc(OCc2cccc(F)c2)cc1 | |
| 644,CHEMBL1813518,2490.0,O=C1NC(=O)c2cc(Oc3ccccc3)ccc21 | |
| 627,CHEMBL255822,2490.0,COc1cc(/C=C2\SC(=S)NC2=O)ccc1O | |
| 2757,CHEMBL4171534,2490.0,CN1c2c(nn(-c3ccc(/C=N/NC(=S)Nc4ccccc4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O | |
| 3595,CHEMBL4473562,2490.0,Cc1c(C)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2oc1=O | |
| 2398,CHEMBL4113760,2500.0,NC(=O)C1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 1370,CHEMBL1255743,2500.0,Cl.N[C@@H]1C[C@H]1c1ccccc1 | |
| 1770,CHEMBL3415805,2500.0,C#CCN(C)CC(=C)c1cccs1.Cl | |
| 5136,CHEMBL3651139,2500.0,c1ccc(C2C[C@@H]2NCc2ccc3c(c2)OCCCO3)cc1 | |
| 4617,CHEMBL5438815,2500.0,COc1cc(COc2ccc(C(=O)Nc3ccc4[nH]ncc4c3)cc2)cc(OC)c1OC | |
| 1632,CHEMBL165372,2500.0,O=[N+]([O-])c1ccc2[nH]ncc2c1 | |
| 5255,CHEMBL4113760,2500.0,NC(=O)C1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 4772,CHEMBL2018554,2500.0,O=C(/C=C/C=C/c1ccc(O)c(O)c1)N1CCCCC1 | |
| 4068,CHEMBL4868895,2500.0,COc1ccc2occ(/C=C/c3cc(OC)c(OC)c(OC)c3)c(=O)c2c1 | |
| 3318,CHEMBL8706,2500.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3151,CHEMBL1711342,2500.0,Oc1nc(SCc2cccc(F)c2)nc2ccccc12 | |
| 2676,CHEMBL4084930,2500.0,CC(=O)c1ccc(OCCCCN2CCCCC2)cc1O | |
| 1950,CHEMBL3651139,2500.0,c1ccc(C2C[C@@H]2NCc2ccc3c(c2)OCCCO3)cc1 | |
| 1789,CHEMBL3415781,2500.0,C#CCN(C)CC(=C)c1cccc(OCc2ccc(OC)cc2)c1.O=C(O)C(=O)O | |
| 5182,CHEMBL4113760,2500.0,NC(=O)C1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 5343,CHEMBL5846301,2500.0,NC(=O)C1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 4861,CHEMBL8706,2501.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2840,CHEMBL4173822,2510.0,C#CCNC1CCc2c(OCCc3ccc(Cl)cc3)cccc21 | |
| 2967,CHEMBL4215220,2510.0,Cc1ccc2cc(-c3ccc(Cl)nn3)c(=O)oc2c1 | |
| 1457,CHEMBL3218157,2520.0,Cc1sc(NN=C2CCC(C)CC2)nc1-c1ccccc1 | |
| 2784,CHEMBL4161458,2530.0,Cc1ccc(COc2cccc(C=O)c2)cc1 | |
| 828,CHEMBL1950708,2530.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(Cl)c1 | |
| 4322,CHEMBL5189149,2530.0,CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCN(CC)CC4)c(O)c3)ccc21 | |
| 1219,CHEMBL2418199,2539.2,c1ccc(-c2nc3ccc(NC4CCCCC4)nc3o2)cc1 | |
| 3110,CHEMBL4294446,2540.0,CCN(CC)CCOC(=O)/C=C/c1ccc2oc(C(=O)Nc3ccc(C)c(C)c3)cc(=O)c2c1 | |
| 3617,CHEMBL8706,2550.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3771,CHEMBL140,2560.0,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O | |
| 878,CHEMBL2058695,2567.0,O=C1NC(=S)N/C1=C\c1c[nH]c2ccc(Br)cc12 | |
| 877,CHEMBL2058696,2567.0,O=C1NC(=S)N/C1=C\c1c[nH]c2cc(Br)ccc12 | |
| 2159,CHEMBL3769823,2568.0,O=C1COc2ccc(Cl)cc2C2CC(c3ccccc3)=NN12 | |
| 2275,CHEMBL28591,2570.0,O=C1/C(=C/c2ccccc2)Cc2ccccc21 | |
| 4311,CHEMBL140,2580.0,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O | |
| 4414,CHEMBL140,2580.0,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O | |
| 2026,CHEMBL3734986,2580.0,Cc1ccc2oc(=O)c(-c3cccnc3)cc2c1 | |
| 4553,CHEMBL105350,2590.0,O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccc(O)cc1 | |
| 1635,CHEMBL3319241,2590.0,O=C(Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1Cl | |
| 1862,CHEMBL3613275,2590.0,COc1ccc(OC(=O)/C=C/c2ccccc2C(F)(F)F)cc1 | |
| 2648,CHEMBL4075667,2600.0,C#CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 197,CHEMBL673,2600.0,C#CCN(C)Cc1ccccc1 | |
| 3466,CHEMBL4579723,2600.0,CON(C)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2O)c1 | |
| 4676,CHEMBL5433019,2600.0,O=C(/C=C/c1ccc(Br)cc1OC(F)(F)F)c1ccccc1O | |
| 4245,CHEMBL5208951,2600.0,COc1cc2c(Nc3ccc(C(=O)/C=C/c4nc(C)c(C)nc4C)cc3)ncnc2c(OC)c1OC | |
| 4438,CHEMBL5208951,2600.0,COc1cc2c(Nc3ccc(C(=O)/C=C/c4nc(C)c(C)nc4C)cc3)ncnc2c(OC)c1OC | |
| 812,CHEMBL1477100,2620.0,COc1ccc(NC(=O)N2CCc3ccccc32)cc1 | |
| 758,CHEMBL1927672,2620.0,CC(C)CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1C | |
| 2099,CHEMBL3763535,2620.0,O=c1oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc2c2c1CCCC2 | |
| 3052,CHEMBL4280184,2620.0,C#CCn1ccc2ccc(NC(=O)N(CC)CC)cc21 | |
| 4027,CHEMBL4850189,2630.0,C#CCNC1CCc2c(SCc3ccc(F)c(F)c3)cccc21 | |
| 2962,CHEMBL4202487,2640.0,Cc1cccc2cc(-c3ccc(Br)nn3)c(=O)oc12 | |
| 1241,CHEMBL2417775,2640.0,CN1N=C(c2ccc(O)cc2)CC1c1ccc(Cl)cc1 | |
| 3301,CHEMBL4564938,2640.1,C#CCN1CCC(/C=C\c2ccc(C3CC3)cc2)CC1 | |
| 1426,CHEMBL3218126,2650.0,CC/C(C)=N\Nc1nc(-c2ccc3ccccc3c2)cs1 | |
| 3996,CHEMBL4850189,2650.0,C#CCNC1CCc2c(SCc3ccc(F)c(F)c3)cccc21 | |
| 617,CHEMBL1814057,2660.0,O=C(Nc1ccc(O)c(O)c1)c1cc(=O)c2ccccc2o1 | |
| 895,CHEMBL2058417,2667.0,C/N=C1\NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C | |
| 1118,CHEMBL2332171,2670.0,O=C(/C=C(O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1O | |
| 3704,CHEMBL4520144,2680.0,Cc1ncc(/C=C/c2ccc(CN3CCOCC3)c(O)c2)c(CO)c1O | |
| 4257,CHEMBL4520144,2680.0,Cc1ncc(/C=C/c2ccc(CN3CCOCC3)c(O)c2)c(CO)c1O | |
| 2488,CHEMBL4071510,2690.0,O=C1COC(c2ccc(NCc3cccc(Cl)c3)cc2)=NN1 | |
| 914,CHEMBL2062875,2690.0,CC(=O)c1c(O)cccc1OCc1ccc(Br)cc1 | |
| 3618,CHEMBL673,2690.0,C#CCN(C)Cc1ccccc1 | |
| 4679,CHEMBL5425979,2700.0,CN(C)C(=O)Oc1ccccc1C(=O)/C=C/c1ccc(F)cc1 | |
| 890,CHEMBL1170237,2700.0,CN1C(=N)N(C)/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O | |
| 3249,CHEMBL4165326,2700.0,C#CCNC1CCc2c(OCc3cccc(F)c3)cccc21 | |
| 5333,CHEMBL5959359,2700.0,NC1CC1c1cccc(C(=O)Nc2cccc(-c3ncccn3)c2)c1 | |
| 4518,CHEMBL3393844,2710.0,COc1cc(O)c(C(=O)/C=C/c2ccccc2O)c(OC)c1 | |
| 2157,CHEMBL3770540,2722.0,COc1ccc(C2=NN3C(=O)COc4ccc(Cl)cc4C3C2)cc1 | |
| 711,CHEMBL1830136,2730.0,O=C(/C=C/C=C/c1ccccc1)Nc1cccc(Br)c1 | |
| 2771,CHEMBL4176929,2730.0,Brc1cccc(OCc2ccccc2)c1 | |
| 3587,CHEMBL53569,2730.0,O=c1ccc2ccc3occc3c2o1 | |
| 2271,CHEMBL3890408,2740.0,O=C1/C(=C/c2ccc(O)cc2)Cc2cc(O)ccc21 | |
| 2090,CHEMBL3764436,2750.0,Cc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12 | |
| 289,CHEMBL1080449,2750.0,NC(=S)N1N=C(c2ccco2)CC1c1ccc(F)cc1 | |
| 1460,CHEMBL3218160,2760.0,C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1ccco1 | |
| 1609,CHEMBL3319266,2760.0,COc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl | |
| 1437,CHEMBL3218137,2780.0,C/C(CC(C)C)=N/Nc1nc(-c2ccccc2)c(C)s1 | |
| 1892,CHEMBL3629472,2780.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3ccc(C)cc3oc2=O)cc1 | |
| 4081,CHEMBL4303296,2785.0,CN1CCN(C(=O)CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 | |
| 781,CHEMBL1934677,2790.0,COc1ccc(-c2c(O)c3cc(Cl)ccc3oc2=O)cc1Cl | |
| 1266,CHEMBL2420788,2790.0,COc1cccc(/C=C/C(=O)c2ccc(C)o2)c1 | |
| 4582,CHEMBL5281498,2790.0,Cc1cccc(C)c1[Se]CC(C)N | |
| 4677,CHEMBL5413087,2800.0,O=C(/C=C/c1ccc2ccccc2c1Br)c1ccccc1O | |
| 2671,CHEMBL4101356,2800.0,CC(=O)c1ccc(OCCCN2CCCCC2)cc1O | |
| 2990,CHEMBL3989843,2800.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 880,CHEMBL2058429,2817.0,C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C | |
| 1871,CHEMBL1599895,2820.0,O=C(/C=C/c1ccccc1Cl)Nc1ccccc1 | |
| 1664,CHEMBL972,2820.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 4039,CHEMBL4853169,2820.0,C#CCNC1CCc2c(SCCc3ccc(Cl)c(Cl)c3)cccc21 | |
| 97,CHEMBL470220,2840.0,CSc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 | |
| 4002,CHEMBL4866653,2840.0,C#CCNC1CCc2c(SCc3ccc(Cl)c(Cl)c3)cccc21 | |
| 2905,CHEMBL4216854,2849.0,Cl.NCCc1ccc(OCc2ccccc2Cl)cc1 | |
| 3951,CHEMBL4779749,2857.0,C#CCN1CCCC(COC(=O)Nc2ccc(C(C)C)cc2)C1 | |
| 356,CHEMBL1243090,2860.0,Cc1ccc(-c2csc(N/N=C3/CCCC(C)C3)n2)cc1 | |
| 3063,CHEMBL4285471,2860.0,CCN(CC)CCCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 1704,CHEMBL3398527,2860.0,Cc1ccc(-c2c(Br)c3cc(C#N)c(C#N)cc3n2O)cc1 | |
| 3981,CHEMBL4878574,2869.0,COc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1OC | |
| 4307,CHEMBL5199502,2870.0,CCCOc1ccc2c(c1)SCC(=O)N2 | |
| 2979,CHEMBL4206041,2870.0,Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(F)c4)cc3)ccc12.[Br-] | |
| 3867,CHEMBL4799739,2870.0,NC(=O)[C@@H]1COCCN1Cc1ccc(OCc2cccc(F)c2)cc1F | |
| 129,CHEMBL484410,2870.0,COc1ccc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc1OC | |
| 262,CHEMBL274318,2870.0,O=C1CC(c2ccccc2)Oc2ccccc21 | |
| 5016,CHEMBL5625129,2870.0,CCCCCCCC1OC(=O)c2cc(N3N=C(c4cc(OC)ccc4O)CC3=O)ccc21 | |
| 2153,CHEMBL3770527,2878.0,O=C1COc2ccccc2C2CC(c3ccccc3)=NN12 | |
| 1443,CHEMBL3218143,2880.0,CC1CCC/C1=N\Nc1nc(-c2ccc3ccccc3c2)cs1 | |
| 1456,CHEMBL3218156,2880.0,Cc1sc(N/N=C2\CCCC(C)C2)nc1-c1ccccc1 | |
| 2751,CHEMBL4159772,2890.0,Cc1c2c(nn1-c1ccc(/C=N/NC(=S)Nc3cccc(Cl)c3)cc1)-c1ccccc1S(=O)(=O)N2C | |
| 2987,CHEMBL4205110,2890.0,Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc([N+](=O)[O-])c4)cc3)ccc12.[Br-] | |
| 4624,CHEMBL5427855,2890.0,COc1cc(COc2cccc(-c3noc(-c4ccc5[nH]ncc5c4)n3)c2)cc(OC)c1OC | |
| 1903,CHEMBL972,2890.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 2487,CHEMBL4092303,2891.0,O=C1COC(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)=NN1 | |
| 3064,CHEMBL4280935,2900.0,CCN(CC)CCCCCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 3470,CHEMBL4454576,2900.0,CN(C)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2OC(=O)N(C)C)c1 | |
| 1849,CHEMBL3605363,2900.0,CC[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](CC)ccc21.[I-].[I-] | |
| 2747,CHEMBL4159922,2910.0,CCc1ccc(NC(=S)N/N=C/c2ccc(-n3nc4c(c3C)N(C)S(=O)(=O)c3ccccc3-4)cc2)cc1 | |
| 2783,CHEMBL4169381,2910.0,Cc1cccc(COc2cccc(C=O)c2)c1 | |
| 316,CHEMBL1213914,2910.0,COc1cccc(-c2csc(N/N=C/c3cccnc3)n2)c1 | |
| 2724,CHEMBL4085234,2920.0,O=c1c(/C=N/c2ncccc2O)coc2ccc(Br)cc12 | |
| 2252,CHEMBL1483268,2940.0,O=C1/C(=C/c2ccccn2)COc2ccccc21 | |
| 594,CHEMBL1400294,2943.0,Cn1c(=O)c2c(nc(OCCc3ccccc3)n2C)n(C)c1=O | |
| 4789,CHEMBL5433787,2950.0,O=C(CSc1nc2cc(Cl)ccc2s1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 | |
| 4883,CHEMBL5573453,2950.0,CS(=O)(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | |
| 2740,CHEMBL313833,2950.0,NC1CC1c1ccccc1 | |
| 4755,CHEMBL5433787,2950.0,O=C(CSc1nc2cc(Cl)ccc2s1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 | |
| 4754,CHEMBL3193372,2950.0,O=C(/C=C/C=C/c1ccccc1)c1ccco1 | |
| 1525,CHEMBL3261198,2960.0,Cc1ccccc1NC(=O)c1cc2ccccc2oc1=O | |
| 4795,CHEMBL5559878,2970.0,O=C(NCc1ccc(Cl)cc1)c1nc2ccc(O)cc2s1 | |
| 4390,CHEMBL5219886,2970.0,C/C(=N\NCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O)c1ccncc1 | |
| 767,CHEMBL1927684,2970.0,CN(CCCCc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C | |
| 854,CHEMBL2029548,2980.0,CC(NC(=O)c1ccc(OC/C(F)=C\CN)cc1)c1ccccc1 | |
| 1333,CHEMBL3093221,2980.0,CCCn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n(CCC)c1=O | |
| 5173,CHEMBL3983249,2990.0,CNc1ccc2nc(-c3cccc(Cl)c3)oc2n1 | |
| 2767,CHEMBL4172754,2990.0,CN1c2c(nn(-c3ccc(/C=N/NC(=S)NCN4CCOCC4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O | |
| 2389,CHEMBL3983249,2990.0,CNc1ccc2nc(-c3cccc(Cl)c3)oc2n1 | |
| 598,CHEMBL1806761,2990.0,Cn1c(=O)c2c(nc(OCC3CC=CCC3)n2C)n(C)c1=O | |
| 5110,CHEMBL3651108,3000.0,COc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 | |
| 198,CHEMBL550000,3000.0,Oc1ccc(C2=NN(c3ccccc3)CC2)cc1 | |
| 1969,CHEMBL3651108,3000.0,COc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 | |
| 1923,CHEMBL3651110,3000.0,c1ccc(C2C[C@@H]2NCc2ccc3ccccc3n2)cc1 | |
| 5112,CHEMBL3651110,3000.0,c1ccc(C2C[C@@H]2NCc2ccc3ccccc3n2)cc1 | |
| 5174,CHEMBL3925023,3020.0,CNc1ccc2nc(-c3ccc(Cl)cc3)oc2n1 | |
| 1482,CHEMBL3219490,3020.0,Cc1sc(N/N=C/c2cc3ccccc3oc2=O)nc1-c1ccccc1 | |
| 2390,CHEMBL3925023,3020.0,CNc1ccc2nc(-c3ccc(Cl)cc3)oc2n1 | |
| 3146,CHEMBL4286287,3030.0,O=c1[nH]c(SCc2ccccc2)nc2ccccc12 | |
| 1249,CHEMBL2417767,3040.0,CN1N=C(c2ccc(O)cc2)CC1c1ccccc1F | |
| 1472,CHEMBL3191757,3050.0,Cc1sc(N/N=C/c2cccs2)nc1-c1ccccc1 | |
| 2964,CHEMBL4214681,3050.0,COc1ccc2cc(-c3ccc(Br)nn3)c(=O)oc2c1 | |
| 1470,CHEMBL3213945,3060.0,Cc1sc(N/N=C/c2ccco2)nc1-c1ccccc1 | |
| 550,CHEMBL1766625,3070.0,O=C1c2cc(Cl)ccc2OCC1Cc1ccc(Cl)cc1 | |
| 4824,CHEMBL5562107,3080.0,O=C(NC1CCCCC1)c1nc2ccccc2s1 | |
| 2609,CHEMBL4091054,3090.0,Cc1cc(=O)oc2cc(OCCN3CCCCC3)ccc12 | |
| 3469,CHEMBL4591934,3100.0,O=C(/C=C/c1cccc(OC(=O)N2CCOCC2)c1)c1ccccc1O | |
| 1797,CHEMBL3415816,3100.0,C#CCN(C)CC(=C)c1ccc(F)c(F)c1.O=C(O)C(=O)O | |
| 3325,CHEMBL4586509,3100.0,Cc1cc2ccc(OCC3CCN(Cc4ccc(CO)cc4)CC3)cc2oc1=O | |
| 1427,CHEMBL3218127,3110.0,CCC/C(C)=N\Nc1nc(-c2ccc3ccccc3c2)cs1 | |
| 968,CHEMBL2151539,3110.0,C/C(=N/Nc1nc(-c2ccc(C#N)cc2)cs1)c1cccs1 | |
| 889,CHEMBL2058420,3117.0,CN1C(=N)N(C)/C(=C/c2c[nH]c3c(Br)cccc23)C1=O | |
| 359,CHEMBL1243125,3120.0,COc1ccc(-c2csc(N/N=C3/CCC[C@@H](C)C3)n2)cc1 | |
| 2744,CHEMBL4169343,3130.0,Cc1ccccc1NC(=S)N/N=C/c1ccc(-n2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)cc1 | |
| 5021,CHEMBL92401,3140.0,CC(C)NNC(=O)c1ccncc1 | |
| 3097,CHEMBL4285331,3140.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cn1 | |
| 4332,CHEMBL5191876,3140.0,O=S(=O)(N1CCc2cc(C3CC3NCC3CCNCC3)ccc21)C(F)(F)F | |
| 2925,CHEMBL4211690,3146.0,Cl.NCc1ccc(OCc2ccccc2C(F)(F)F)cc1 | |
| 276,CHEMBL602880,3150.0,COc1cccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | |
| 5052,CHEMBL5639289,3156.0,C=CCOc1ccc(-c2cc(=O)c3c(OC)cc(Cl)cc3o2)cc1 | |
| 2981,CHEMBL4210401,3160.0,Cc1ccccc1C[n+]1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1.[Br-] | |
| 1248,CHEMBL2417768,3170.0,CN1N=C(c2ccc(O)cc2)CC1c1cccc(F)c1 | |
| 5411,CHEMBL5768411,3180.0,c1ccc(COc2ccc([C@H]3C[C@@H]3NC3CCNCC3)cc2)cc1 | |
| 5217,CHEMBL5881731,3180.0,c1ccc(COc2ccc([C@@H]3C[C@H]3NC3CCNCC3)cc2)cc1 | |
| 5387,CHEMBL5768411,3180.0,c1ccc(COc2ccc([C@H]3C[C@@H]3NC3CCNCC3)cc2)cc1 | |
| 1043,CHEMBL1712955,3180.0,Cl.O=C(CN1CCCCC1)c1ccc2c(c1)OCO2 | |
| 3993,CHEMBL4864573,3190.0,C#CCNC1CCc2c(SCc3cccc(OC)c3)cccc21 | |
| 1445,CHEMBL3218145,3190.0,c1ccc2cc(-c3csc(NN=C4CCCCC4)n3)ccc2c1 | |
| 5326,CHEMBL5772457,3200.0,NC1CC1c1ccc(C(=O)Nc2ccccc2)cc1 | |
| 1276,CHEMBL2420794,3200.0,COc1cccc(/C=C/C(=O)c2ccco2)c1 | |
| 2862,CHEMBL4202590,3200.0,Cc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)c(O)c1 | |
| 4097,CHEMBL4861145,3200.0,CCN(CCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1N(C)C | |
| 3935,CHEMBL4791225,3200.0,CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(N4CCSCC4)cc3OC[C@@H]12 | |
| 3383,CHEMBL1929421,3200.0,C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C | |
| 4807,CHEMBL5542371,3210.0,COc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1OC | |
| 3060,CHEMBL4287742,3220.0,CN(C)CCCCCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 | |
| 2926,CHEMBL3094316,3225.0,Cl.NCc1ccc(OCc2ccccc2)cc1 | |
| 2816,CHEMBL4164807,3229.0,C#CCN(C)CCCc1cn(-c2cc(NC(=S)NCC)ncn2)cn1 | |
| 5206,CHEMBL3937352,3230.0,NC1CCC(N[C@H]2C[C@@H]2c2cnc(-c3cccc(O)c3)s2)CC1 | |
| 5279,CHEMBL3937352,3230.0,NC1CCC(N[C@H]2C[C@@H]2c2cnc(-c3cccc(O)c3)s2)CC1 | |
| 5367,CHEMBL3937352,3230.0,NC1CCC(N[C@H]2C[C@@H]2c2cnc(-c3cccc(O)c3)s2)CC1 | |
| 340,CHEMBL1221980,3230.0,COc1ccc(-c2cc3cc(C)cc(Br)c3oc2=O)cc1 | |
| 2422,CHEMBL3937352,3230.0,NC1CCC(N[C@H]2C[C@@H]2c2cnc(-c3cccc(O)c3)s2)CC1 | |
| 4007,CHEMBL4877335,3240.0,C#CCNC1CCc2c(SCCc3ccc(F)c(F)c3)cccc21 | |
| 2430,CHEMBL4111253,3240.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3F)cc2)CC1 | |
| 5287,CHEMBL4111253,3240.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3F)cc2)CC1 | |
| 4290,CHEMBL289277,3240.0,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O | |
| 5214,CHEMBL4111253,3240.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3F)cc2)CC1 | |
| 5375,CHEMBL4111253,3240.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3F)cc2)CC1 | |
| 4847,CHEMBL5589767,3253.0,Cc1c(Cl)c(=O)oc2cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3F)ccc12 | |
| 4217,CHEMBL5178171,3260.0,COc1ccccc1N1CCN(CCCOc2cc3c4c(nccc4c2)-c2ccccc2C3=O)CC1 | |
| 1353,CHEMBL3093225,3260.0,CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2OC)n(CC)c1=O | |
| 85,CHEMBL512883,3270.0,CC(C)CNC(=O)c1cc2ccccc2oc1=O | |
| 1997,CHEMBL3735451,3270.0,O=C(/C=C/c1cccc(Cl)c1)c1ccc[nH]1 | |
| 2763,CHEMBL4174974,3270.0,CN1c2c(nn(-c3ccc(/C=N/NC(=S)Nc4ccc(Cl)cc4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O | |
| 2711,CHEMBL4105152,3280.0,O=c1c(/C=N/c2cc(Cl)ccc2O)coc2ccc(Br)cc12 | |
| 1634,CHEMBL3319240,3300.0,O=C(Nc1ccc2[nH]ncc2c1)c1c(F)cccc1Cl | |
| 5116,CHEMBL3651114,3300.0,COc1ccc(CN[C@H]2CC2c2ccccc2)cn1 | |
| 1977,CHEMBL3651114,3300.0,COc1ccc(CN[C@H]2CC2c2ccccc2)cn1 | |
| 1528,CHEMBL509345,3300.0,O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O | |
| 3405,CHEMBL4514270,3300.0,C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)cc3)nc(N)n2)cc1 | |
| 4985,CHEMBL4514270,3300.0,C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)cc3)nc(N)n2)cc1 | |
| 3473,CHEMBL4460825,3300.0,CCN(CC)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2OC(=O)N(CC)CC)c1 | |
| 4325,CHEMBL5171335,3300.0,CCCCC1OC(=O)c2cc(OCc3cccc(O)c3)ccc21 | |
| 1719,CHEMBL3402191,3310.0,c1ccc(CCOc2ccc3c(c2)OCO3)cc1 | |
| 2912,CHEMBL4217532,3324.0,Cl.Nc1ccc(OCc2ccc(F)cc2)cc1 | |
| 233,CHEMBL604043,3340.0,COc1ccc(-c2cc(=S)c3ccc(OC)cc3o2)cc1 | |
| 251,CHEMBL598913,3350.0,COc1ccc(C2CC(=O)c3ccc(C)cc3O2)cc1 | |
| 815,CHEMBL1946827,3350.0,Cc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O | |
| 124,CHEMBL469783,3360.0,COc1cc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc(OC)c1 | |
| 3273,CHEMBL4449571,3363.5,C#CCN1CCC(CCc2cccc(F)c2)CC1 | |
| 1868,CHEMBL3613269,3370.0,O=C(/C=C/c1ccccc1C(F)(F)F)Nc1cccc(F)c1 | |
| 2845,CHEMBL4165077,3390.0,C#CCNC1CCc2c(OCCOc3cccc4ccccc34)cccc21 | |
| 3220,CHEMBL4474824,3400.0,O=C(/C=C/c1ccc(OCCCCCCN2CCCCC2)cc1)c1ccc(OCCCCCCN2CCCCC2)cc1O | |
| 4665,CHEMBL594853,3400.0,COc1cccc(/C=C/C(=O)c2ccccc2O)c1 | |
| 4225,CHEMBL5173591,3420.0,O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCN(c5ccccc5)CC4)cc1c23 | |
| 1686,CHEMBL3394536,3422.0,O=c1oc2cc(/N=C/c3ccc(O)cc3O)ccc2c2c1CCCC2 | |
| 1325,CHEMBL3093177,3430.0,COc1ccc(/C=C2\COc3cc(OCCCCCCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)cc1 | |
| 1042,CHEMBL1606959,3430.0,O=C(CCN1CCCCC1)c1ccc2c(c1)OCO2 | |
| 4593,CHEMBL4527805,3440.0,COc1ccc(/C=C2\COc3cc(OCCCN4CCCCC4)ccc3C2=O)cc1 | |
| 3404,CHEMBL4527805,3440.0,COc1ccc(/C=C2\COc3cc(OCCCN4CCCCC4)ccc3C2=O)cc1 | |
| 1168,CHEMBL2382437,3440.0,O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1nc2ccccc2c(=O)s1 | |
| 127,CHEMBL500683,3450.0,N#Cc1c(F)c(F)c(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)c(F)c1F | |
| 5003,CHEMBL5630301,3450.0,CCCCC1OC(=O)c2cc(N3N=C(c4cc(F)ccc4O)CC3=O)ccc21 | |
| 1755,CHEMBL3417305,3450.0,O=c1ccc2ccc(OCCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 1336,CHEMBL3093216,3480.0,Cn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n(C)c1=O | |
| 1444,CHEMBL3218144,3490.0,CC1CC/C(=N\Nc2nc(-c3ccc4ccccc4c3)cs2)C1 | |
| 2950,CHEMBL4206927,3495.0,C#CCN(CCCCOc1ccc2ccc(=O)oc2c1)Cc1ccc(C(C)C)cc1 | |
| 2359,CHEMBL3885433,3500.0,CCN(CC)C(=O)Oc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1 | |
| 2682,CHEMBL4069471,3500.0,CC(=O)c1ccc(OCCCCCN2CCCC2)cc1O | |
| 1025,CHEMBL2206100,3500.0,Cn1c(=O)c2c(nc([S+]([O-])CCc3ccc(F)cc3)n2C)n(C)c1=O | |
| 1915,CHEMBL3651125,3500.0,c1ccc(C2C[C@@H]2NCc2ccc3c(c2)OCCO3)cc1 | |
| 5127,CHEMBL3651125,3500.0,c1ccc(C2C[C@@H]2NCc2ccc3c(c2)OCCO3)cc1 | |
| 2181,CHEMBL1179,3500.0,N[C@@H]1C[C@H]1c1ccccc1 | |
| 2547,CHEMBL4094097,3500.0,O=C1CCc2ccc(OCCCCCCN3CCCC3)cc2N1 | |
| 1768,CHEMBL3415810,3500.0,C#CCN(C)CC(=C)c1ccccc1.Cl | |
| 3697,CHEMBL4527885,3500.0,C#CCN(C)CCc1cn(Cc2ccccc2)nn1 | |
| 2937,CHEMBL4216146,3513.0,C#CCN(CCOc1ccc2ccc(=O)oc2c1)Cc1ccc(OC)cc1 | |
| 2154,CHEMBL3769885,3522.0,CC(C)c1ccc(C2=NN3C(=O)COc4ccccc4C3C2)cc1 | |
| 831,CHEMBL1950710,3530.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cc(Cl)c(Cl)cc1Cl | |
| 4178,CHEMBL5087636,3530.0,C#CCn1nc(/C=C/c2cccc(O)c2)oc1=O | |
| 3269,CHEMBL4466952,3540.2,C#CCN1CCC(/C=C/c2ccccc2)CC1 | |
| 1425,CHEMBL3218125,3550.0,CC(C)=NNc1nc(-c2ccc3ccccc3c2)cs1 | |
| 2438,CHEMBL4073325,3550.0,CCN(CCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccc(N(C)C)cc1 | |
| 4378,CHEMBL1466353,3560.0,O=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S1 | |
| 1429,CHEMBL3218129,3560.0,C/C(CC(C)C)=N/Nc1nc(-c2ccc3ccccc3c2)cs1 | |
| 978,CHEMBL2151553,3590.0,C/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccco1 | |
| 761,CHEMBL1927675,3600.0,Cn1c(=O)c2c(nc(Sc3ccc4ccccc4c3)n2C)n(C)c1=O | |
| 2616,CHEMBL4086218,3600.0,Cc1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12 | |
| 1365,CHEMBL3989843,3600.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 1332,CHEMBL3093223,3600.0,CCCn1c(=O)c2c(nc3n2CCCN3CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n(CCC)c1=O | |
| 1940,CHEMBL3682538,3600.0,N[C@@H]1CC1c1ccccc1 | |
| 3330,CHEMBL4580963,3600.0,Cc1c(C)c2ccc(OCC3CCN(CCCCO)CC3)cc2oc1=O | |
| 5092,CHEMBL3682538,3600.0,N[C@@H]1CC1c1ccccc1 | |
| 5151,CHEMBL3682538,3600.0,N[C@@H]1CC1c1ccccc1 | |
| 5288,CHEMBL4106496,3620.0,Cc1cccc(CNc2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)c1 | |
| 2431,CHEMBL4106496,3620.0,Cc1cccc(CNc2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)c1 | |
| 5215,CHEMBL4106496,3620.0,Cc1cccc(CNc2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)c1 | |
| 254,CHEMBL600392,3620.0,Cc1ccc2c(c1)OC(c1ccccc1)CC2=O | |
| 3372,CHEMBL2230263,3620.0,CC(C)=CCc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O | |
| 5376,CHEMBL4106496,3620.0,Cc1cccc(CNc2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)c1 | |
| 3194,CHEMBL4514331,3640.0,Cc1ccc(Cc2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1 | |
| 822,CHEMBL1950702,3650.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(F)c(F)c1 | |
| 2624,CHEMBL309490,3650.0,O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12 | |
| 3633,CHEMBL4450570,3650.0,Cn1c(=O)c2c(nc3n2CCN(CCc2cccc(Br)c2)C3)n(C)c1=O | |
| 1247,CHEMBL2417769,3650.0,CN1N=C(c2ccc(O)cc2)CC1c1ccc(F)cc1 | |
| 3105,CHEMBL4282350,3650.0,Cc1ccc(NC(=O)c2coc3ccc(/C=C/C(=O)OCCN(C)C)cc3c2=O)cc1C | |
| 1253,CHEMBL2417763,3650.0,CN1N=C(c2ccccc2)CC1c1ccccc1Cl | |
| 3396,CHEMBL4554567,3660.0,Cc1cc(O)cc2oc(=O)c(C(=O)CCN(C)C)cc12.Cl | |
| 2011,CHEMBL3735973,3670.0,Cc1ccc2oc(=O)c(-c3cccc(OCCCBr)c3)cc2c1 | |
| 352,CHEMBL1243058,3680.0,C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1 | |
| 3070,CHEMBL4280278,3680.0,CCN(CCCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1)c1ccccc1 | |
| 442,CHEMBL1253700,3689.0,Cc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1 | |
| 2698,CHEMBL4101770,3690.0,O=C1C=CC(=O)C(OCc2ccccc2)=C1 | |
| 119,CHEMBL512703,3690.0,CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1 | |
| 2496,CHEMBL4097639,3692.0,NC(=O)CN1N=C(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)OCC1=O | |
| 166,CHEMBL466770,3700.0,N[C@H]1C[C@]1(F)c1ccc(Cl)cc1 | |
| 3471,CHEMBL4563460,3700.0,CCN(C)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2OC(=O)N(C)CC)c1 | |
| 5330,CHEMBL5863687,3700.0,NC1CC1c1cccc(C(=O)Nc2ccc(-c3ncccn3)cc2)c1 | |
| 4983,CHEMBL5595250,3710.0,COc1cccc(COc2ccc(C(C)=O)c(OCc3cn(CCc4c[nH]c5ccccc45)nn3)c2)c1 | |
| 274,CHEMBL602466,3720.0,Cn1c(=O)c2c(nc(OCc3cccc(C(F)(F)F)c3)n2C)n(C)c1=O | |
| 4011,CHEMBL4877043,3720.0,C#CCNC1CCc2c(SCCc3cccc(C(F)(F)F)c3)cccc21 | |
| 1350,CHEMBL3093230,3720.0,CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(CC)c1=O | |
| 2437,CHEMBL4086224,3730.0,CCN(CCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1N(C)C | |
| 859,CHEMBL2058698,3733.0,CSC1=NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | |
| 2941,CHEMBL4217159,3742.0,C#CCN(CCCOc1ccc2ccc(=O)oc2c1)Cc1ccccc1 | |
| 3037,CHEMBL4242186,3749.0,C[C@H](Cc1ccc(OCc2ccc(C#N)cc2)cc1)N(C)CC(=O)O | |
| 2229,CHEMBL3800292,3750.0,COn1c(-c2cccs2)cc2cc3c(cc21)C(=O)NC3=O | |
| 675,CHEMBL1830816,3750.0,CCOC(=O)c1cc2ccc(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O | |
| 1441,CHEMBL3218141,3750.0,CCCCCC/C(C)=N\NC1=NC(c2ccccc2)=C(C)C1 | |
| 2025,CHEMBL3735165,3760.0,Cc1ccc2oc(=O)c(-c3cccs3)cc2c1 | |
| 4662,CHEMBL8706,3760.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1361,CHEMBL3093310,3760.0,C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O | |
| 4001,CHEMBL4877328,3760.0,C#CCNC1CCc2c(SCc3ccc(Cl)cc3Cl)cccc21 | |
| 1432,CHEMBL3218132,3760.0,CCCC/C(CC)=N\Nc1nc(-c2ccc3ccccc3c2)cs1 | |
| 2241,CHEMBL3805041,3770.0,O=C1/C(=C/c2ccco2)COc2ccccc21 | |
| 1117,CHEMBL2332172,3770.0,Cc1ccc(/C=C/C(O)=C/C(=O)c2ccccc2O)cc1 | |
| 258,CHEMBL596693,3770.0,O=C1CC(c2ccccc2)Oc2cc(F)ccc21 | |
| 602,CHEMBL1806764,3772.0,Cn1c(=O)c2c(nc(OCCOCc3ccccc3)n2C)n(C)c1=O | |
| 5433,CHEMBL5758556,3790.0,c1cc([C@H]2C[C@@H]2NCC2CCNCC2)ccc1C1CC1 | |
| 5409,CHEMBL5758556,3790.0,c1cc([C@H]2C[C@@H]2NCC2CCNCC2)ccc1C1CC1 | |
| 5012,CHEMBL5630870,3790.0,CCCCCCC1OC(=O)c2cc(N3N=C(c4ccccc4O)CC3=O)ccc21 | |
| 5239,CHEMBL5758556,3790.0,c1cc([C@H]2C[C@@H]2NCC2CCNCC2)ccc1C1CC1 | |
| 3911,CHEMBL4795009,3790.0,COc1ccccc1-c1cnc2c3cccnc3nn2c1 | |
| 901,CHEMBL2058413,3800.0,CN1C(=N)N/C(=C\c2c[nH]c3cc(Br)ccc23)C1=O | |
| 2728,CHEMBL1383610,3800.0,Cc1ccc(COC(=O)c2nn(-c3ccccc3)nc2N)cc1 | |
| 2545,CHEMBL4101838,3800.0,C#CCN(CCCCCCOc1ccc2c(c1)NC(=O)CC2)Cc1ccccc1 | |
| 3365,CHEMBL4528196,3800.0,C#CCNCc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | |
| 3111,CHEMBL4292235,3810.0,Cc1ccc(NC(=O)c2cc(=O)c3cc(/C=C/C(=O)OCCN(C)C)ccc3o2)cc1 | |
| 5452,CHEMBL5787609,3810.0,FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc(-c3ccccc3)cc2)CC1 | |
| 4663,CHEMBL5420607,3819.27,O=C(c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 | |
| 4044,CHEMBL4854062,3820.0,C#CCNC1CCc2c(SCCc3cccc(OC)c3)cccc21 | |
| 4199,CHEMBL5171605,3820.0,CC(=O)Oc1ccc(-c2ccccc2)cc1/N=N/c1ccc(C#N)c(C#N)c1 | |
| 819,CHEMBL1950700,3830.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccccc1F | |
| 2753,CHEMBL4168112,3830.0,Cc1c2c(nn1-c1ccc(/C=N/NC(=S)Nc3ccccc3F)cc1)-c1ccccc1S(=O)(=O)N2C | |
| 387,CHEMBL1253578,3840.0,Cc1cc2cc(NC(=O)c3ccccc3)ccc2[nH]1 | |
| 1211,CHEMBL2409542,3840.0,C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccn1 | |
| 4010,CHEMBL4853169,3850.0,C#CCNC1CCc2c(SCCc3ccc(Cl)c(Cl)c3)cccc21 | |
| 2839,CHEMBL4173420,3870.0,C#CCNC1CCc2c(OCCc3ccccc3)cccc21 | |
| 189,CHEMBL488917,3870.0,Cc1cc(=O)oc2c(C)c(OC3CCCCC3=O)ccc12 | |
| 1240,CHEMBL2417747,3870.0,CN1N=C(c2ccc(O)cc2O)CC1c1ccccc1F | |
| 4879,CHEMBL5571767,3876.0,NS(=O)(=O)c1ccc(COc2ccc3c(CN4CCNCC4)cc(=O)oc3c2)cc1 | |
| 5000,CHEMBL5625120,3880.0,CCCCC1OC(=O)c2cc(N3N=C(c4cc(OC)ccc4O)CC3=O)ccc21 | |
| 2986,CHEMBL4213345,3880.0,Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(Br)cc4)cc3)ccc12.[Br-] | |
| 2995,CHEMBL2297871,3884.0,O=C(c1ccc(OCCCN2CCCCC2)cc1)C1CC1 | |
| 4587,CHEMBL326294,3900.0,O=C1Nc2ccccc2C1=O | |
| 2030,CHEMBL3736264,3900.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccn(C(=O)OCc3ccccc3)c2)cc1 | |
| 4310,CHEMBL326294,3900.0,O=C1Nc2ccccc2C1=O | |
| 2983,CHEMBL4213874,3900.0,Cc1ccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1.[Br-] | |
| 1855,CHEMBL3605369,3900.0,CN1CCc2c(c3ccccc3n2CCCCCCCCCn2c3c(c4ccccc42)CN(C)CC3)C1 | |
| 4413,CHEMBL326294,3900.0,O=C1Nc2ccccc2C1=O | |
| 1842,CHEMBL3605356,3900.0,c1ccc2c(c1)c1cnccc1n2CCCCCCCCCn1c2ccccc2c2cnccc21 | |
| 3375,CHEMBL4439631,3930.0,CC(C)=CCc1c(O)cc(/C=C/c2ccc3c(c2)[C@H](c2cc(O)c4c(c2)OC(C)(C)CC4)[C@@H](c2ccc(O)cc2)O3)cc1O | |
| 4869,CHEMBL5574490,3936.0,NS(=O)(=O)c1ccc(COc2ccc3c(N4CCOCC4)cc(=O)oc3c2)cc1 | |
| 1430,CHEMBL3218130,3940.0,C=CCC/C(C)=N\Nc1nc(-c2ccc3ccccc3c2)cs1 | |
| 3748,CHEMBL4528766,3950.0,C#CCN(C)c1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(C#N)cc1C#N | |
| 1251,CHEMBL2417765,3950.0,CN1N=C(c2ccccc2)CC1c1ccc(Cl)cc1 | |
| 5455,CHEMBL5837037,3950.0,FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | |
| 3750,CHEMBL4528766,3950.0,C#CCN(C)c1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(C#N)cc1C#N | |
| 3096,CHEMBL4295113,3950.0,C#CCNc1nc(NCCCC2CCN(Cc3ccccc3)CC2)c(C#N)cc1C#N | |
| 4025,CHEMBL4875992,3964.0,C#CCNC1CCc2c(SCc3ccc(OC)cc3)cccc21 | |
| 3084,CHEMBL4287271,3980.0,Cc1cccc2cc(-c3cccc(Br)c3)oc12 | |
| 2984,CHEMBL4208961,3990.0,Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4Br)cc3)ccc12.[Br-] | |
| 2855,CHEMBL4218657,4000.0,Oc1ccccc1NC(=S)Nc1ccc2[nH]ccc2c1 | |
| 2860,CHEMBL4205862,4000.0,S=C(Nc1ccc2[nH]ccc2c1)Nc1cccc2cnccc12 | |
| 1959,CHEMBL3651101,4000.0,COc1cccc(CN[C@H]2CC2c2ccccc2)c1 | |
| 3527,CHEMBL4550375,4000.0,CCS(=O)(=O)c1ccc2oc(-c3ccc4c(c3)C=C[C@H](O)[C@H]4O)nc2c1 | |
| 5104,CHEMBL3651101,4000.0,COc1cccc(CN[C@H]2CC2c2ccccc2)c1 | |
| 2525,CHEMBL4090338,4000.0,CCN(CC)CCCCOc1ccc2c(c1)NC(=O)CC2 | |
| 1297,CHEMBL172856,4010.0,O=C1CCc2cc(OCc3ccccc3)ccc2N1 | |
| 931,CHEMBL2088317,4050.0,Cn1c(=O)c2c(nc(CSc3ccc(Br)cc3)n2C)n(C)c1=O | |
| 3546,CHEMBL4527486,4100.0,Cc1ccc(-c2cc(C)c3c(c2O)C(=O)O[C@H](C)C3)cc1 | |
| 4106,CHEMBL4852191,4100.0,CCN(CC)CCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1 | |
| 3652,CHEMBL44,4100.0,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 | |
| 2746,CHEMBL4167833,4150.0,Cc1c2c(nn1-c1ccc(/C=N/NC(=S)Nc3ccccc3)cc1)-c1ccccc1S(=O)(=O)N2C | |
| 111,CHEMBL508793,4180.0,COc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(OC)c1 | |
| 3014,CHEMBL8706,4190.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2467,CHEMBL8706,4190.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2354,CHEMBL8706,4190.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2366,CHEMBL8706,4190.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 4226,CHEMBL5198200,4190.0,O=C1c2ccccc2-c2nccc3cc(OCCCCCN4CCN(c5ccccc5Cl)CC4)cc1c23 | |
| 2216,CHEMBL8706,4190.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2652,CHEMBL3547159,4200.0,CN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 1898,CHEMBL3629468,4200.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3ccc(OC)cc3oc2=O)cc1 | |
| 1795,CHEMBL3415611,4200.0,C#CCNCC(=C)c1cccc(OCc2cccc(F)c2)c1.O=C(O)C(=O)O | |
| 5328,CHEMBL5985917,4200.0,NC1CC1c1ccc(C(=O)NC2CCCCC2)cc1 | |
| 3875,CHEMBL4759463,4205.0,CC1CCCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1 | |
| 2978,CHEMBL4205764,4210.0,Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4F)cc3)ccc12.[Br-] | |
| 2495,CHEMBL4079608,4228.0,N#CCCN1N=C(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)OCC1=O | |
| 53,CHEMBL255700,4240.0,C#CCNCc1ccnc2c(O)cccc12 | |
| 862,CHEMBL2058425,4260.0,C/N=C1/N/C(=C\c2c[nH]c3c(Br)cccc23)C(=O)N1C | |
| 4773,CHEMBL5410682,4270.0,N#C/C(=C\C=C\c1ccc(O)c(O)c1)C(=O)N1CCCCC1 | |
| 4283,CHEMBL179617,4280.0,O=C1c2ccccc2C(=O)c2cnccc21 | |
| 3183,CHEMBL4476259,4280.0,c1cc(-c2noc(C3CC3)n2)ccc1C1=NCCN1 | |
| 4222,CHEMBL5191497,4280.0,COc1ccccc1N1CCN(CCCCOc2cc3c4c(nccc4c2)-c2ccccc2C3=O)CC1 | |
| 1056,CHEMBL2204772,4280.0,N#Cc1ccc(Sc2ccc(Cl)cc2)cc1 | |
| 3068,CHEMBL4283733,4290.0,CCN(CCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1)Cc1ccccc1 | |
| 338,CHEMBL1221929,4300.0,Cc1ccc2oc(=O)c(-c3ccccc3Br)cc2c1 | |
| 4006,CHEMBL4862202,4300.0,C#CCNC1CCc2c(SCCc3cccc(F)c3)cccc21 | |
| 4109,CHEMBL4868157,4300.0,CCN(CCCCOc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2O)cc1)Cc1ccccc1N(C)C | |
| 4542,CHEMBL5270248,4300.0,Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCC1CCN(Cc3ccccc3F)CC1)O2 | |
| 1889,CHEMBL3989843,4300.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 829,CHEMBL1950709,4300.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)cc1 | |
| 900,CHEMBL2058412,4300.0,CN1C(=N)N/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O | |
| 4335,CHEMBL257990,4300.0,N[C@H]1C[C@@H]1c1ccccc1 | |
| 2543,CHEMBL4063824,4300.0,O=C1CCc2ccc(OCCCCCCN3CCN(Cc4ccccc4)CC3)cc2N1 | |
| 4259,CHEMBL92401,4320.0,CC(C)NNC(=O)c1ccncc1 | |
| 3753,CHEMBL92401,4320.0,CC(C)NNC(=O)c1ccncc1 | |
| 2480,CHEMBL92401,4320.0,CC(C)NNC(=O)c1ccncc1 | |
| 243,CHEMBL599148,4330.0,Cc1ccc(-c2cc(=O)c3ccc(F)cc3o2)cc1 | |
| 4944,CHEMBL126,4336.0,CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | |
| 920,CHEMBL2062881,4340.0,O=c1ccoc2cccc(OCc3ccc(Br)cc3)c12 | |
| 2756,CHEMBL4170002,4340.0,Cc1c2c(nn1-c1ccc(/C=N/NC(=S)NCN3CCOCC3)cc1)-c1ccccc1S(=O)(=O)N2C | |
| 4614,CHEMBL5434275,4350.0,O=C(Nc1ccc2[nH]ncc2c1)c1ccc(-c2cc(F)cc(F)c2)cc1 | |
| 5453,CHEMBL6053109,4350.0,FC1(CNC2CC2c2ccccc2)CCN(CCCC2CCCCC2)CC1 | |
| 2473,CHEMBL4074119,4360.0,CCCCCCCC1OC(=O)c2cc(N3N=C(C)CC3=O)ccc21 | |
| 5018,CHEMBL5625134,4360.0,[2H]C1OC(=O)c2cc(N3N=C(C)CC3=O)ccc21 | |
| 1714,CHEMBL191083,4370.0,CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1 | |
| 3031,CHEMBL4248510,4372.0,C[C@H](Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)N(C)CC(=O)O | |
| 4776,CHEMBL5400279,4380.0,N#C/C(=C\C=C\c1ccc(O)c(O)c1)C(=O)NCCc1ccccc1 | |
| 123,CHEMBL469782,4390.0,COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1OC | |
| 2544,CHEMBL4091608,4400.0,O=C1CCc2ccc(OCCCCCCN3CCc4ccccc4C3)cc2N1 | |
| 261,CHEMBL60720,4410.0,O=C1CC(c2ccc(F)cc2)Oc2ccccc21 | |
| 2016,CHEMBL3734992,4430.0,Cc1ccc2oc(=O)c(-c3cccc(OC(=O)N(C)C)c3)cc2c1 | |
| 2946,CHEMBL4216733,4437.0,C#CCN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(F)c1 | |
| 4984,CHEMBL5591458,4460.0,[O-]/[N+](=C\c1ccc2cccc(O)c2n1)Cc1ccccc1 | |
| 1113,CHEMBL2333933,4460.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCNc2c3c(nc4ccccc24)CCCC3)cc1 | |
| 3918,CHEMBL4763130,4480.0,c1csc(-c2cnc3c4cccnc4nn3c2)c1 | |
| 2196,CHEMBL3781364,4490.0,COc1cccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c1OC | |
| 1826,CHEMBL3586614,4500.0,CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1.Cl | |
| 705,CHEMBL1830130,4500.0,Cc1cccc(NC(=O)/C=C/c2ccccc2)c1 | |
| 358,CHEMBL495714,4510.0,COc1ccc(-c2csc(N/N=C3/CCCC(C)C3)n2)cc1 | |
| 3098,CHEMBL4286877,4520.0,Cc1ccc(NC(=O)c2coc3ccc(/C=C/C(=O)O)cc3c2=O)cc1C | |
| 677,CHEMBL1830830,4520.0,O=C(NNc1ccccc1)c1cc2ccccc2oc1=O | |
| 4043,CHEMBL4851258,4520.0,C#CCNC1CCc2c(SCCc3ccc(C)cc3)cccc21 | |
| 126,CHEMBL526897,4520.0,O=C(NNc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O | |
| 1446,CHEMBL3218146,4530.0,CC1CCCC/C1=N\Nc1nc(-c2ccc3ccccc3c2)cs1 | |
| 4774,CHEMBL5421285,4550.0,N#C/C(=C\C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1 | |
| 4687,CHEMBL5415952,4551.0,COc1cccc(-c2cc3cc(CN[C@@H](C)C(N)=O)ccc3o2)c1 | |
| 1748,CHEMBL3417312,4560.0,O=c1ccc2ccc(OCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 2844,CHEMBL4175696,4570.0,C#CCNC1CCc2c(OCCOc3ccccc3)cccc21 | |
| 3653,CHEMBL4541785,4574.0,Nc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 | |
| 549,CHEMBL1766626,4590.0,O=C1c2c(Cl)cc(Cl)cc2OCC1Cc1ccc(Cl)cc1 | |
| 4045,CHEMBL4858339,4590.0,C#CCNC1CCc2c(SCCc3ccc(OC)cc3)cccc21 | |
| 2945,CHEMBL4208341,4594.0,C#CCN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC)c1 | |
| 4108,CHEMBL4857775,4600.0,CCN(CCCCOc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2O)cc1)Cc1ccccc1OC | |
| 5329,CHEMBL5817986,4600.0,O=C(Nc1ccccc1)c1ccc(C2CC2NCC2CC2)cc1 | |
| 3472,CHEMBL4454566,4600.0,CON(C)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2OC(=O)N(C)OC)c1 | |
| 3270,CHEMBL4451978,4603.4,C#CCN1CCC(CCc2ccccc2)CC1 | |
| 3394,CHEMBL4537471,4620.0,COc1ccc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1.Cl | |
| 1462,CHEMBL3218162,4630.0,C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1cccs1 | |
| 3099,CHEMBL4284580,4660.0,O=C(O)/C=C/c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 | |
| 1530,CHEMBL3261201,4680.0,Cc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O | |
| 2646,CHEMBL4066908,4700.0,CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC | |
| 4673,CHEMBL5428671,4700.0,O=C(/C=C/c1c(F)cccc1Br)c1ccccc1O | |
| 2755,CHEMBL4162079,4720.0,Cc1c2c(nn1-c1ccc(/C=N/NC(=S)NCc3ccccc3)cc1)-c1ccccc1S(=O)(=O)N2C | |
| 4846,CHEMBL5572092,4751.0,NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(Br)c1 | |
| 1352,CHEMBL3093227,4760.0,CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(CC)c1=O | |
| 1465,CHEMBL3218166,4760.0,C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1cccnc1 | |
| 1053,CHEMBL2204775,4770.0,N#Cc1ccc(SC2CCCCC2)cc1 | |
| 1440,CHEMBL3218140,4780.0,CCCC/C(CC)=N\Nc1nc(-c2ccccc2)c(C)s1 | |
| 3481,CHEMBL4538762,4800.0,O=C(/C=C/c1cccc(OCCCCCN2CCc3ccccc3C2)c1)c1ccccc1O | |
| 5331,CHEMBL6053137,4800.0,O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C2CC2NC2CCS(=O)(=O)CC2)cc1 | |
| 165,CHEMBL460269,4800.0,N[C@@H]1C[C@]1(F)c1ccc(Cl)cc1 | |
| 5053,CHEMBL5639776,4803.0,COc1cc(Cl)cc2oc(-c3ccc(OCC(C)C)cc3)cc(=O)c12 | |
| 3523,CHEMBL4520948,4810.0,FC(F)(F)Cc1cc2c(N[C@H]3CC[C@H](CN[C@@H]4C[C@H]4c4ccccc4)CC3)ncnc2s1 | |
| 4712,CHEMBL5423186,4829.0,O=C(Nc1ccc(O)cc1)c1coc2ccc(O)cc2c1=O | |
| 2947,CHEMBL4211764,4855.0,C#CCN(CCCOc1ccc2ccc(=O)oc2c1)Cc1ccc(F)c(F)c1 | |
| 1044,CHEMBL2203920,4890.0,O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCC1 | |
| 1867,CHEMBL3613270,4890.0,O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(F)c1 | |
| 342,CHEMBL1221982,4890.0,COc1cc(-c2cc3cc(C)cc(Br)c3oc2=O)cc(OC)c1OC | |
| 164,CHEMBL447729,4900.0,N[C@H]1C[C@]1(F)c1ccc(F)cc1 | |
| 1713,CHEMBL3989843,4900.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 5337,CHEMBL5767136,4900.0,Cc1cc(NC(=O)c2cccc(C3CC3NCC3CCOCC3)c2)sn1 | |
| 3468,CHEMBL4565177,4900.0,O=C(/C=C/c1cccc(OC(=O)N(c2ccccc2)c2ccccc2)c1)c1ccccc1O | |
| 925,CHEMBL2088311,4900.0,Cn1c(=O)c2c(nc(CSc3cccc(Br)c3)n2C)n(C)c1=O | |
| 4989,CHEMBL5597896,4930.0,C#CCOc1cccc(-c2cc(/C=C/c3ccccc3)ncn2)c1 | |
| 4005,CHEMBL4871606,4950.0,C#CCNC1CCc2c(SCc3ccc4ccccc4c3)cccc21 | |
| 4042,CHEMBL4861804,4960.0,C#CCNC1CCc2c(SCCc3cccc(C)c3)cccc21 | |
| 1349,CHEMBL3093232,4960.0,Cn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2)n(C)c1=O | |
| 132,CHEMBL471228,4980.0,COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)c(C)c3oc2=O)cc1OC | |
| 3548,CHEMBL673,5000.0,C#CCN(C)Cc1ccccc1 | |
| 4576,CHEMBL5281685,5000.0,Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1 | |
| 2734,CHEMBL210730,5000.0,O=C(Nc1nc2ccccc2[nH]1)c1ccccc1 | |
| 2894,CHEMBL4213878,5003.0,COc1cccc(-c2ccc(CCN)cc2)c1.Cl | |
| 4683,CHEMBL5404106,5005.0,C[C@H](NCc1ccc2oc(-c3ccccc3F)cc2c1)C(N)=O | |
| 1422,CHEMBL3133250,5010.0,COc1cc(/C=C/c2ccc(OCCCN(C)Cc3ccccc3)cc2)cc(OC)c1 | |
| 5230,CHEMBL5941884,5010.0,Fc1ccccc1COc1ccc([C@H]2C[C@@H]2NCC2CCNCC2)cc1 | |
| 5424,CHEMBL5941884,5010.0,Fc1ccccc1COc1ccc([C@H]2C[C@@H]2NCC2CCNCC2)cc1 | |
| 3369,CHEMBL165,5010.0,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 | |
| 5400,CHEMBL5941884,5010.0,Fc1ccccc1COc1ccc([C@H]2C[C@@H]2NCC2CCNCC2)cc1 | |
| 2691,CHEMBL8706,5020.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2550,CHEMBL8706,5020.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 423,CHEMBL1253925,5025.0,COc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1 | |
| 3272,CHEMBL4457115,5048.7,C#CCN1CCC(/C=C/c2cccc(F)c2)CC1 | |
| 300,CHEMBL1213778,5070.0,COc1cccc(-c2csc(NN=C(C)C)n2)c1 | |
| 5010,CHEMBL5629989,5070.0,CCCCC1OC(=O)c2cc(N3N=C(c4ccc(N(C)C)cc4O)CC3=O)ccc21 | |
| 1154,CHEMBL2376890,5080.0,O=C(Nc1cc2ccccc2oc1=O)OCCBr | |
| 2386,CHEMBL3982296,5080.0,CN(Cc1ccccc1)c1ccc2nc(-c3ccc(Cl)cc3)oc2n1 | |
| 5170,CHEMBL3982296,5080.0,CN(Cc1ccccc1)c1ccc2nc(-c3ccc(Cl)cc3)oc2n1 | |
| 1893,CHEMBL3629473,5090.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3cc(C)ccc3oc2=O)cc1 | |
| 4237,CHEMBL5202250,5098.0,COc1cc2c(cc1OC)CN(c1cc(F)cc(F)c1)CC2 | |
| 1848,CHEMBL3605362,5100.0,COc1ccc2c(c1)c1c[n+](C)ccc1n2CCCCCCCCCn1c2ccc(OC)cc2c2c[n+](C)ccc21.[I-].[I-] | |
| 158,CHEMBL462630,5100.0,COc1ccc([C@@]2(F)C[C@@H]2N)cc1 | |
| 3245,CHEMBL4517651,5100.0,C#CCNC1CCc2c(OCCc3cc(NC(=O)c4ccc(F)cc4)ccc3Cl)cccc21 | |
| 4020,CHEMBL4865811,5110.0,C#CCNC1CCc2c(NCc3cccc(C(F)(F)F)c3)cccc21 | |
| 3828,CHEMBL4761179,5130.0,CCN(CC)C(=O)Oc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC | |
| 269,CHEMBL344504,5140.0,COc1ccc2c(=O)cc(-c3ccc(F)cc3)oc2c1 | |
| 659,CHEMBL1823545,5160.0,COc1ccc(C2OC(c3ccccc3)=NN2C(C)=O)cc1 | |
| 708,CHEMBL1830133,5160.0,O=C(/C=C/C=C/c1ccccc1)Nc1ccccc1 | |
| 3686,CHEMBL4533245,5200.0,C#CCN(C)CCc1ccc(Cc2cn(C)nn2)cc1 | |
| 3475,CHEMBL4468771,5200.0,O=C(/C=C/c1cccc(OC(=O)N2CCOCC2)c1)c1ccccc1OC(=O)N1CCOCC1 | |
| 3114,CHEMBL4287970,5200.0,COc1cc2oc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)cc(=O)c2cc1OC | |
| 1869,CHEMBL1328072,5210.0,O=C(/C=C/c1ccccc1Cl)Nc1cccc(O)c1 | |
| 883,CHEMBL2058426,5217.0,C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C | |
| 1096,CHEMBL2313292,5220.0,Cn1c(=O)c2c(c3cc(OCc4ccccc4)ccc3n2C)n(C)c1=O | |
| 2813,CHEMBL4174105,5236.0,C#CCNCc1cn(-c2cc(NC(=S)NCC)ncn2)cn1 | |
| 2476,CHEMBL4103010,5240.0,CCCCCCC1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21 | |
| 1752,CHEMBL3417308,5280.0,O=c1ccc2ccc(OCCCCCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 1433,CHEMBL1421247,5280.0,CC(C)=NNc1nc(-c2ccccc2)c(C)s1 | |
| 4124,CHEMBL4875785,5300.0,Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 | |
| 3823,CHEMBL4793075,5300.0,CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1OC | |
| 3480,CHEMBL4456222,5300.0,O=C(/C=C/c1cccc(OCCCCN2CCc3ccccc3C2)c1)c1ccccc1O | |
| 5109,CHEMBL3651107,5330.0,Brc1cccc(CN[C@H]2CC2c2ccccc2)n1 | |
| 1955,CHEMBL3651107,5330.0,Brc1cccc(CN[C@H]2CC2c2ccccc2)n1 | |
| 2614,CHEMBL4093982,5330.0,O=c1cc(C(F)(F)F)c2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2o1 | |
| 2974,CHEMBL4206334,5350.0,COc1ccc(-c2cc3cccc(C)c3oc2=O)nn1 | |
| 2851,CHEMBL4172280,5380.0,C#CCNC1CCc2c(OCCCOc3ccc(C(C)C)cc3)cccc21 | |
| 162,CHEMBL468597,5400.0,N[C@H]1C[C@]1(F)c1ccc(C(F)(F)F)cc1 | |
| 1917,CHEMBL3651118,5400.0,N#Cc1cccc(CN[C@H]2CC2c2ccccc2)c1 | |
| 5120,CHEMBL3651118,5400.0,N#Cc1cccc(CN[C@H]2CC2c2ccccc2)c1 | |
| 4048,CHEMBL4864153,5410.0,C#CCNC1CCc2c(OCc3cccc(C(F)(F)F)c3)cccc21 | |
| 3866,CHEMBL4743721,5412.0,NC(=O)[C@@H]1COCCN1Cc1ccc(OCc2cccc(F)c2)cc1 | |
| 3588,CHEMBL499847,5440.0,O=c1ccc2c(ccc3ccoc32)o1 | |
| 433,CHEMBL1255020,5477.0,Cc1ccc(-c2csc(NN=C3CCC(C)CC3)n2)cc1 | |
| 3740,CHEMBL4645356,5500.0,CC(C)=CCc1c(C)c(C=O)c(O)c(CC=C(C)C)c1O | |
| 3540,CHEMBL4465226,5500.0,Cc1ccc(O)c2c1CCOC2=O | |
| 1574,CHEMBL3360730,5520.0,Cc1ccc2oc(=O)c(-c3ccccc3[N+](=O)[O-])cc2c1 | |
| 2846,CHEMBL4173417,5520.0,C#CCNC1CCc2c(OCCOc3cccc(NC(C)=O)c3)cccc21 | |
| 727,CHEMBL1835226,5520.0,CC(=O)COc1ccc2oc(=O)c(-c3ccc(C)cc3)cc2c1 | |
| 2939,CHEMBL4212732,5530.0,C#CCN(CCOc1ccc2ccc(=O)oc2c1)Cc1cccc(F)c1 | |
| 5009,CHEMBL5624890,5530.0,CCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)cc(Cl)c4O)CC3=O)ccc21 | |
| 534,CHEMBL1642685,5550.0,Cl.Nc1ccc(CCCCc2ccccc2)cc1 | |
| 1647,CHEMBL3330337,5550.0,Cl.N[C@]1(c2ccccc2)C[C@H]1c1ccccc1 | |
| 3306,CHEMBL4471686,5554.5,C#CCN1CCC(CCc2ccc(C(N)=O)cc2)CC1 | |
| 188,CHEMBL372943,5570.0,Cc1cc(=O)oc2cc(OC3CCCC3=O)ccc12 | |
| 5221,CHEMBL6036780,5600.0,Clc1ccc(-c2ccc([C@H]3C[C@@H]3NCCC3CCOCC3)cc2)cc1 | |
| 5391,CHEMBL6036780,5600.0,Clc1ccc(-c2ccc([C@H]3C[C@@H]3NCCC3CCOCC3)cc2)cc1 | |
| 5415,CHEMBL6036780,5600.0,Clc1ccc(-c2ccc([C@H]3C[C@@H]3NCCC3CCOCC3)cc2)cc1 | |
| 2656,CHEMBL4089274,5600.0,C#CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC | |
| 4282,CHEMBL298398,5620.0,O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21 | |
| 2619,CHEMBL4061479,5640.0,O=c1cc(C(F)(F)F)c2ccc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)cc2o1 | |
| 2935,CHEMBL4210766,5643.0,C#CCN(CCOc1ccc2ccc(=O)oc2c1)Cc1ccc(C)cc1 | |
| 704,CHEMBL1830129,5650.0,O=C(/C=C/c1ccccc1)Nc1ccccc1 | |
| 2028,CHEMBL3735436,5670.0,Cc1ccc2oc(=O)c(-c3c[nH]c4ccccc34)cc2c1 | |
| 943,CHEMBL2088319,5670.0,Cn1c(=O)c2c(nc(CCSc3cccc(Cl)c3)n2C)n(C)c1=O | |
| 1592,CHEMBL3297796,5680.0,O=C(SCc1ccco1)c1cc2cc(Br)c(Br)cc2oc1=O | |
| 4387,CHEMBL5220624,5690.0,C/C(=N\NCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O)c1cccs1 | |
| 3916,CHEMBL4752356,5700.0,CS(=O)(=O)c1ccc(-c2cnc3c4cccnc4nn3c2)cc1 | |
| 5336,CHEMBL5916677,5700.0,NC1CC1c1cccc(C(=O)Nc2ccc(F)cc2)c1 | |
| 2044,CHEMBL1257051,5700.0,Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1 | |
| 1282,CHEMBL2426045,5700.0,C#CCNCCCOc1cccc(C(=O)NCc2ccccc2)c1 | |
| 4395,CHEMBL5220045,5730.0,C#CCN1CCN(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)CC1 | |
| 3971,CHEMBL4785539,5735.0,C#CCN(C)CCCCCOc1ccc(C=O)c(OC)c1 | |
| 537,CHEMBL1642686,5740.0,Nc1cccc(/C=C/c2ccccc2)c1 | |
| 2893,CHEMBL4208814,5757.0,COc1ccc(-c2ccc(CCN)cc2)cc1.Cl | |
| 1762,CHEMBL3417298,5770.0,COc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12 | |
| 932,CHEMBL2088299,5780.0,Cn1c(=O)c2c(nc(COc3ccccc3)n2C)n(C)c1=O | |
| 1245,CHEMBL2417771,5780.0,Cc1cccc(C2CC(c3ccc(O)cc3)=NN2C)c1 | |
| 1887,CHEMBL3989843,5800.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 4078,CHEMBL8706,5800.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 4174,CHEMBL5084419,5800.0,O=c1[nH]nc(/C=C/c2ccc(O)c(O)c2)o1 | |
| 3526,CHEMBL3989843,5800.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 1351,CHEMBL3093228,5870.0,CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)c(OC)c2)n(CC)c1=O | |
| 2841,CHEMBL4163111,5870.0,C#CCNC1CCc2c(OCCc3cccc(Cl)c3)cccc21 | |
| 1863,CHEMBL3613274,5880.0,O=C(/C=C/c1ccccc1C(F)(F)F)Oc1ccccc1 | |
| 3930,CHEMBL4792421,5880.0,COc1cc2c(cc1OC)/C(=C/c1ccc(O)c(N3CCCCC3)c1)OC2=O | |
| 1424,CHEMBL3989843,5900.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 1298,CHEMBL1255743,5900.0,Cl.N[C@@H]1C[C@H]1c1ccccc1 | |
| 2536,CHEMBL4094559,5900.0,O=C1CCc2ccc(OCCCCCN3CCc4ccccc4C3)cc2N1 | |
| 2658,CHEMBL4076402,5900.0,C#CCN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 4671,CHEMBL594854,5900.0,COc1ccccc1/C=C/C(=O)c1ccccc1O | |
| 2206,CHEMBL2288402,5940.0,CN(C)c1ccc(/C=C2\Oc3cc(O)cc(O)c3C2=O)cc1 | |
| 1505,CHEMBL3220513,5950.0,O=C(Nc1cc2ccccc2oc1=O)c1ccc(Cl)c(Cl)c1 | |
| 913,CHEMBL2062874,5960.0,CC(=O)c1c(O)cccc1OCc1cccc(Br)c1 | |
| 2287,CHEMBL3950869,5960.0,CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2 | |
| 1870,CHEMBL3613268,5980.0,O=C(/C=C/c1ccccc1C(F)(F)F)Nc1cccc(O)c1 | |
| 1467,CHEMBL3219194,5990.0,C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1c[nH]c2ccccc12 | |
| 3156,CHEMBL4295095,5990.0,O=c1[nH]c(SCCCc2ccccc2)nc2ccccc12 | |
| 5106,CHEMBL3651103,6000.0,Clc1ccc(CN[C@H]2CC2c2ccccc2)cn1 | |
| 5382,CHEMBL6038994,6000.0,O=C(NC1CCC(F)(F)CC1)c1ccc(C2CC2NCC2CC2)s1 | |
| 5111,CHEMBL3651109,6000.0,Fc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 | |
| 858,CHEMBL2058702,6000.0,C/N=C1\NC(=O)/C(=C/c2c[nH]c3ccccc23)N1 | |
| 2515,CHEMBL4080226,6000.0,COc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | |
| 5464,CHEMBL6038994,6000.0,O=C(NC1CCC(F)(F)CC1)c1ccc(C2CC2NCC2CC2)s1 | |
| 1708,CHEMBL3989843,6000.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 5312,CHEMBL6038994,6000.0,O=C(NC1CCC(F)(F)CC1)c1ccc(C2CC2NCC2CC2)s1 | |
| 5294,CHEMBL6038994,6000.0,O=C(NC1CCC(F)(F)CC1)c1ccc(C2CC2NCC2CC2)s1 | |
| 5303,CHEMBL6038994,6000.0,O=C(NC1CCC(F)(F)CC1)c1ccc(C2CC2NCC2CC2)s1 | |
| 1439,CHEMBL3218139,6000.0,CCCCC/C(C)=N\Nc1nc(-c2ccccc2)c(C)s1 | |
| 5439,CHEMBL6038994,6000.0,O=C(NC1CCC(F)(F)CC1)c1ccc(C2CC2NCC2CC2)s1 | |
| 1908,CHEMBL3651109,6000.0,Fc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 | |
| 5245,CHEMBL6038994,6000.0,O=C(NC1CCC(F)(F)CC1)c1ccc(C2CC2NCC2CC2)s1 | |
| 2281,CHEMBL3818992,6000.0,O=C(/C=C/c1ccc(O)c(O)c1)NCCC1CCN(Cc2ccccc2)CC1 | |
| 1967,CHEMBL3651103,6000.0,Clc1ccc(CN[C@H]2CC2c2ccccc2)cn1 | |
| 3518,CHEMBL4437554,6050.0,FC(F)(F)Cc1cc2c(N[C@H]3CC[C@@H](N[C@@H]4C[C@H]4c4ccccc4)CC3)ncnc2s1 | |
| 628,CHEMBL1823807,6070.0,O=C1NC(=O)/C(=C\c2cccc(Br)c2)S1 | |
| 4138,CHEMBL4865552,6070.0,CC(=O)NC[C@@H]1OC(=O)N2Cc3cc(-c4ccc(C#N)nc4)c(F)cc3O[C@@H]12 | |
| 2944,CHEMBL4213274,6078.0,C#CCN(CCCOc1ccc2ccc(=O)oc2c1)Cc1ccc(OC)cc1 | |
| 2435,CHEMBL4063688,6090.0,COc1ccccc1CN(C)CCCOc1cc(O)c2c(=O)c3ccccc3sc2c1 | |
| 5332,CHEMBL5854588,6100.0,CN(C(=O)c1cccc(C2CC2N)c1)c1ccccc1 | |
| 2681,CHEMBL4098208,6100.0,CC(=O)c1ccc(OCCCCCN2CCCCC2)cc1O | |
| 1928,CHEMBL3651111,6100.0,FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)nc1 | |
| 2645,CHEMBL4094393,6100.0,CN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 2477,CHEMBL4084286,6100.0,CCCCCCCC1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21 | |
| 5113,CHEMBL3651111,6100.0,FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)nc1 | |
| 2749,CHEMBL4174892,6110.0,Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(-n2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)cc1 | |
| 924,CHEMBL2088310,6120.0,Cn1c(=O)c2c(nc(CSc3cccc(Cl)c3)n2C)n(C)c1=O | |
| 1475,CHEMBL3219201,6140.0,C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)C1CCCCC1 | |
| 2516,CHEMBL3235456,6200.0,O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1 | |
| 5011,CHEMBL5624840,6200.0,CCCCC1OC(=O)c2cc(N3N=C(c4cc(N(C)C)ccc4O)CC3=O)ccc21 | |
| 1746,CHEMBL3989843,6210.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 2838,CHEMBL4165497,6210.0,C#CCNC1CCc2c(OCc3ccc4ccccc4c3)cccc21 | |
| 1105,CHEMBL2333928,6210.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 | |
| 2750,CHEMBL4170413,6210.0,Cc1c2c(nn1-c1ccc(/C=N/NC(=S)Nc3ccccc3Cl)cc1)-c1ccccc1S(=O)(=O)N2C | |
| 1608,CHEMBL3319267,6220.0,O=C(Nc1ccc(Cl)c(O)c1)c1ccc2cn[nH]c2c1 | |
| 3261,CHEMBL4575225,6221.5,C#CCN1CCC(/C=C\c2ccc(F)cc2)CC1 | |
| 1464,CHEMBL3218165,6230.0,C/C(=N\Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1 | |
| 2843,CHEMBL4166555,6240.0,C#CCNC1CCc2c(SCc3ccccc3)cccc21 | |
| 3073,CHEMBL4287088,6240.0,CN1CCN(CCCCCCOc2ccc(/C=C3\COc4ccccc4C3=O)cc2)CC1 | |
| 4607,CHEMBL5393927,6240.0,COc1ccc(C(=O)Nc2c(O)ccc3c(C)cc(=O)oc23)cc1 | |
| 3474,CHEMBL4448924,6300.0,O=C(/C=C/c1cccc(OC(=O)N(c2ccccc2)c2ccccc2)c1)c1ccccc1OC(=O)N(c1ccccc1)c1ccccc1 | |
| 2659,CHEMBL4104698,6300.0,C#CCN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC | |
| 5014,CHEMBL5625098,6340.0,CCCCCCC1OC(=O)c2cc(N3N=C(c4cc(F)ccc4O)CC3=O)ccc21 | |
| 536,CHEMBL69011,6340.0,Nc1ccc(/C=C/c2ccccc2)cc1 | |
| 5451,CHEMBL6018472,6340.0,FC1(CNC2CC2c2ccccc2)CCN(CCCc2ccccc2)CC1 | |
| 3863,CHEMBL4781503,6345.0,CC1(C)C[C@@H](C(N)=O)N(Cc2ccc(OCc3cccc(F)c3)cc2F)C1 | |
| 539,CHEMBL1761757,6370.0,O=c1oc2ccccc2cc1-c1cccs1 | |
| 1046,CHEMBL118703,6390.0,O=C(/C=C/c1ccc2c(c1)OCO2)N1CCOCC1 | |
| 1354,CHEMBL3093224,6390.0,CCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(CC)c1=O | |
| 3992,CHEMBL4166555,6400.0,C#CCNC1CCc2c(SCc3ccccc3)cccc21 | |
| 2524,CHEMBL4095608,6400.0,O=C1CCc2ccc(OCCCCN3CCCCC3)cc2N1 | |
| 168,CHEMBL455782,6400.0,N[C@H]1C[C@]1(F)c1ccccc1 | |
| 842,CHEMBL2029535,6400.0,CC(C)(C)c1ccc(OC/C(F)=C\CN)cc1 | |
| 3483,CHEMBL4567417,6400.0,O=C(/C=C/c1cccc(OCCCCN2CCC(Cc3ccccc3)CC2)c1)c1ccccc1O | |
| 4019,CHEMBL4864153,6410.0,C#CCNC1CCc2c(OCc3cccc(C(F)(F)F)c3)cccc21 | |
| 2721,CHEMBL4100623,6420.0,O=c1c(/C=N/c2cc3ccccc3cc2O)coc2ccccc12 | |
| 856,CHEMBL2029550,6430.0,C[C@H](NC(=O)c1ccc(OC/C(F)=C\CN)cc1)c1ccccc1 | |
| 2027,CHEMBL3735661,6490.0,Cc1ccc2oc(=O)c(-c3cccc4ccccc34)cc2c1 | |
| 2875,CHEMBL4210018,6500.0,COc1cccc(/C=N/c2ccc(OCc3ccccc3)cc2)c1O | |
| 1587,CHEMBL3297791,6500.0,O=C(Sc1ccc(Br)cc1)c1cc2ccccc2oc1=O | |
| 5358,CHEMBL4111141,6500.0,N[C@@H]1CCN(C2CCC(N[C@H]3C[C@@H]3c3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC2)C1 | |
| 2655,CHEMBL4061108,6500.0,C#CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 5197,CHEMBL4111141,6500.0,N[C@@H]1CCN(C2CCC(N[C@H]3C[C@@H]3c3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC2)C1 | |
| 2413,CHEMBL4111141,6500.0,N[C@@H]1CCN(C2CCC(N[C@H]3C[C@@H]3c3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC2)C1 | |
| 5008,CHEMBL5629975,6500.0,CCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)cc(Br)c4O)CC3=O)ccc21 | |
| 5270,CHEMBL4111141,6500.0,N[C@@H]1CCN(C2CCC(N[C@H]3C[C@@H]3c3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC2)C1 | |
| 3137,CHEMBL4295126,6500.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3cccc(F)c3)CC2)cc(C(C)(C)C)c1O | |
| 2535,CHEMBL4074011,6500.0,O=C1CCc2ccc(OCCCCCN3CCN(Cc4ccccc4)CC3)cc2N1 | |
| 3970,CHEMBL4792337,6520.0,C#CCN(C)CCCCCOc1ccc(C(C)=O)cc1OC | |
| 2927,CHEMBL3989843,6540.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 1480,CHEMBL3219205,6570.0,Cc1sc(N/N=C/c2ccc3c(c2)OCO3)nc1-c1ccccc1 | |
| 3934,CHEMBL4749146,6600.0,O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 | |
| 3824,CHEMBL4779514,6600.0,CCN(CC)C(=O)Oc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1OC | |
| 1155,CHEMBL2376887,6630.0,CC(C)OC(=O)Nc1cc2ccccc2oc1=O | |
| 709,CHEMBL1830134,6650.0,Cc1cccc(NC(=O)/C=C/C=C/c2ccccc2)c1 | |
| 5199,CHEMBL4107028,6650.0,N[C@H]1CC[C@H](N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 5360,CHEMBL4107028,6650.0,N[C@H]1CC[C@H](N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 2415,CHEMBL4107028,6650.0,N[C@H]1CC[C@H](N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 5272,CHEMBL4107028,6650.0,N[C@H]1CC[C@H](N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 239,CHEMBL582494,6690.0,Cc1ccc(-c2cc(=S)c3ccccc3o2)cc1 | |
| 3133,CHEMBL4288282,6700.0,COc1ccc(CN2CCC(CCNC(=O)/C=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc1 | |
| 2362,CHEMBL3884004,6700.0,CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OC(=O)N3CCCC3)cc2O)cc1 | |
| 45,CHEMBL2093956,6700.0,Cc1ccc([C@@]2(F)C[C@H]2N)cc1.Cl | |
| 46,CHEMBL903,6700.0,NNC(N)=O | |
| 199,CHEMBL286796,6700.0,CCOC(=O)/C=C/c1ccc(O)c(OC)c1 | |
| 3482,CHEMBL4434713,6700.0,O=C(/C=C/c1cccc(OCCCCCCN2CCc3ccccc3C2)c1)c1ccccc1O | |
| 235,CHEMBL592642,6720.0,Cc1ccc(-c2cc(=S)c3ccc(C)cc3o2)cc1 | |
| 303,CHEMBL1213775,6720.0,CCCCC/C(C)=N/Nc1nc(-c2cccc(OC)c2)cs1 | |
| 973,CHEMBL2151545,6750.0,N#Cc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1 | |
| 2868,CHEMBL4207498,6780.0,Oc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)c(O)c1 | |
| 312,CHEMBL1213842,6780.0,COc1cccc(-c2csc(N/N=C/c3ccco3)n2)c1 | |
| 2230,CHEMBL3797878,6790.0,O=C(Cc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O)c1ccccc1 | |
| 2397,CHEMBL4111997,6800.0,OC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 5342,CHEMBL5951670,6800.0,OC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 3381,CHEMBL4445345,6800.0,Cc1cc(=O)oc2ccc(OC/C=C/CCn3cnc4c(N5CCCCC5)ncnc43)cc12 | |
| 3820,CHEMBL4741070,6800.0,COc1cc(/C=C/C(=O)N2CCc3ccccc3C2)ccc1OC(=O)N(C)OC | |
| 5181,CHEMBL4111997,6800.0,OC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 3646,CHEMBL44,6800.0,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 | |
| 5254,CHEMBL4111997,6800.0,OC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 2673,CHEMBL4093622,6800.0,CC(=O)c1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1O | |
| 2888,CHEMBL4210078,6806.0,Cl.NCCc1ccc(-c2ccc(F)cc2)cc1 | |
| 4592,CHEMBL44,6810.0,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 | |
| 4317,CHEMBL5182776,6810.0,CCCCC1OC(=O)c2cc(OCc3ccc(CN(CC)CC)c(O)c3)ccc21 | |
| 2867,CHEMBL4214938,6870.0,Oc1cccc(/C=N/c2ccc(OCc3ccccc3)cc2)c1O | |
| 2988,CHEMBL4216807,6890.0,Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc([N+](=O)[O-])cc4)cc3)ccc12.[Br-] | |
| 237,CHEMBL599545,6890.0,Fc1ccc(-c2cc(=S)c3ccc(F)cc3o2)cc1 | |
| 2529,CHEMBL4094660,6900.0,O=C1CCc2ccc(OCCCCN3CCc4ccccc4C3)cc2N1 | |
| 2651,CHEMBL4091683,6900.0,CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 2642,CHEMBL4066677,6900.0,CCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC | |
| 2644,CHEMBL4104552,6900.0,CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 4316,CHEMBL5193282,6900.0,CCCCC1OC(=O)c2cc(OCc3ccc(CN(C)C)c(O)c3)ccc21 | |
| 2847,CHEMBL4165494,6910.0,C#CCNC1CCc2c(OCCOc3cccc(NC(=O)CCl)c3)cccc21 | |
| 2852,CHEMBL4168915,6910.0,C#CCNC1CCc2c(OCCCOc3cc(C)c(Cl)c(C)c3)cccc21 | |
| 930,CHEMBL2088316,6910.0,Cn1c(=O)c2c(nc(CSc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 3846,CHEMBL92401,6930.0,CC(C)NNC(=O)c1ccncc1 | |
| 2936,CHEMBL4211175,6958.0,C#CCN(CCOc1ccc2ccc(=O)oc2c1)Cc1ccc(C(C)C)cc1 | |
| 391,CHEMBL1253605,6960.0,Cc1cc2cc(NC(=O)C3CCCCC3)ccc2[nH]1 | |
| 321,CHEMBL1214023,6970.0,COc1cccc(-c2csc(N/N=C(\C)c3cc4ccccc4oc3=O)n2)c1 | |
| 2765,CHEMBL4174656,6990.0,CN1c2c(nn(-c3ccc(/C=N/NC(=S)Nc4ccc(F)cc4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O | |
| 2742,CHEMBL313833,7000.0,NC1CC1c1ccccc1 | |
| 2729,CHEMBL4128696,7000.0,COc1cccc2nc(NC(=O)c3ccccc3)[nH]c12 | |
| 5459,CHEMBL1179,7000.0,N[C@@H]1C[C@H]1c1ccccc1 | |
| 4091,CHEMBL4857247,7000.0,COc1ccc(CNC2CC23CCc2ccccc23)c(Cl)c1OC | |
| 5095,CHEMBL3651092,7000.0,N#Cc1ccc(CN[C@H]2CC2c2ccccc2)cc1 | |
| 1953,CHEMBL3651092,7000.0,N#Cc1ccc(CN[C@H]2CC2c2ccccc2)cc1 | |
| 2938,CHEMBL4217683,7014.0,C#CCN(CCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC)c1 | |
| 4521,CHEMBL115452,7020.0,CC(C)=CCc1cc(C(=O)/C=C/c2ccc(O)c(O)c2)c(O)cc1O | |
| 867,CHEMBL2058703,7033.0,C/N=C1\NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | |
| 1715,CHEMBL3402194,7070.0,Brc1ccc(OCCOc2ccc3c(c2)OCO3)cc1 | |
| 1533,CHEMBL3261204,7090.0,O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc(Br)cc(Br)c2oc1=O | |
| 161,CHEMBL446059,7100.0,N[C@@H]1C[C@]1(F)c1ccc(C(F)(F)F)cc1 | |
| 3486,CHEMBL4441838,7100.0,CN(C)c1ccc(/C=C/C(=O)c2ccc(OCCCCCCN3CCc4ccccc4C3)cc2O)cc1 | |
| 1839,CHEMBL3605353,7100.0,c1ccc2c(c1)c1cnccc1n2CCCCCCn1c2ccccc2c2cnccc21 | |
| 341,CHEMBL1221981,7120.0,COc1cc(OC)cc(-c2cc3cc(C)cc(Br)c3oc2=O)c1 | |
| 2434,CHEMBL4091504,7130.0,CCN(CCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1 | |
| 2484,CHEMBL4083038,7160.0,Cn1c(C(=O)Nc2cccc(COc3ccc(OC4CCNCC4)cc3)c2)cc2sccc21 | |
| 247,CHEMBL229908,7180.0,COc1ccc(C2CC(=O)c3ccc(OC)cc3O2)cc1 | |
| 281,CHEMBL1080705,7180.0,Cc1ccc(C2=NN(C(N)=S)C(c3ccc(F)cc3)C2)cc1 | |
| 4215,CHEMBL4776765,7200.0,O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12 | |
| 3134,CHEMBL4277644,7200.0,Cc1ccccc1CN1CCC(CCNC(=O)/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 | |
| 28,CHEMBL65761,7200.0,COc1ccc(C2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1 | |
| 3937,CHEMBL4776765,7200.0,O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12 | |
| 4421,CHEMBL4776765,7200.0,O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12 | |
| 4990,CHEMBL5598412,7265.0,C#CCOc1ccc(-c2cc(/C(C)=C\c3ccccc3)ncn2)cc1 | |
| 1718,CHEMBL3400170,7290.0,c1ccc(CCCOc2ccc3c(c2)OCO3)cc1 | |
| 2523,CHEMBL4068237,7300.0,C#CCN(CCCOc1ccc2c(c1)NC(=O)CC2)Cc1ccccc1 | |
| 2371,CHEMBL3896665,7300.0,c1ccc(-c2nc3ccc(N4CCCC4)nc3s2)cc1 | |
| 5155,CHEMBL3896665,7300.0,c1ccc(-c2nc3ccc(N4CCCC4)nc3s2)cc1 | |
| 2641,CHEMBL4066289,7300.0,CN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 1373,CHEMBL3112600,7340.0,CCCCOc1ccc2oc(=O)c(CNCC)cc2c1 | |
| 4601,CHEMBL5403469,7350.0,Cc1cc(=O)oc2c(NC(=O)CC(C)(C)C)c(O)ccc12 | |
| 4999,CHEMBL5624459,7350.0,CCCCC1OC(=O)c2cc(N3N=C(c4cc(C)ccc4O)CC3=O)ccc21 | |
| 1894,CHEMBL3629475,7360.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3ccc(Cl)cc3oc2=O)cc1 | |
| 551,CHEMBL1766624,7370.0,O=C1c2ccccc2OCC1Cc1ccc(Cl)cc1 | |
| 2942,CHEMBL4208881,7381.0,C#CCN(CCCOc1ccc2ccc(=O)oc2c1)Cc1ccc(C)cc1 | |
| 4874,CHEMBL5593900,7382.0,NS(=O)(=O)c1ccc(COc2ccc3c(CN4CCOCC4)cc(=O)oc3c2)cc1 | |
| 4690,CHEMBL5438218,7391.0,COc1ccc(-c2cc3cc(CN4CC[C@H]4C(N)=O)ccc3o2)cc1 | |
| 5051,CHEMBL5639274,7392.0,C#CCOc1ccc(-c2cc(=O)c3c(OC)cc(Cl)cc3o2)cc1 | |
| 3661,CHEMBL4582189,7396.0,CN(C)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 | |
| 5144,CHEMBL3651151,7400.0,CC(N[C@H]1CC1c1ccccc1)c1ccc2c(c1)OCCO2 | |
| 3136,CHEMBL4292766,7400.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3F)CC2)cc(C(C)(C)C)c1O | |
| 1910,CHEMBL3651151,7400.0,CC(N[C@H]1CC1c1ccccc1)c1ccc2c(c1)OCCO2 | |
| 3975,CHEMBL92401,7410.0,CC(C)NNC(=O)c1ccncc1 | |
| 1586,CHEMBL3297787,7410.0,CCCCCCN(CCCCCC)C(=O)c1cc2cc(Br)cc(Br)c2oc1=O | |
| 3266,CHEMBL4572880,7411.6,C#CCN1CCCC(CCc2ccc(F)cc2)C1 | |
| 4293,CHEMBL486760,7420.0,c1ccc2c(c1)Cc1ccccc1O2 | |
| 3307,CHEMBL4468288,7440.7,C#CCN1CCC(CCc2ccc(O)cc2)CC1 | |
| 2223,CHEMBL3799207,7460.0,COn1c(-c2ccc(C)cc2)c(Br)c2cc(C#N)c(C#N)cc21 | |
| 2725,CHEMBL887,7470.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 1466,CHEMBL3218167,7480.0,C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1ccncc1 | |
| 4203,CHEMBL92401,7480.0,CC(C)NNC(=O)c1ccncc1 | |
| 4181,CHEMBL92401,7500.0,CC(C)NNC(=O)c1ccncc1 | |
| 2285,CHEMBL92401,7500.0,CC(C)NNC(=O)c1ccncc1 | |
| 3121,CHEMBL92401,7500.0,CC(C)NNC(=O)c1ccncc1 | |
| 1011,CHEMBL2177467,7500.0,CCCN(C)c1ccc(/C=C2\Cc3cc(O)c(O)cc3C2=O)cc1.Cc1ccc(S(=O)(=O)O)cc1 | |
| 3943,CHEMBL92401,7500.0,CC(C)NNC(=O)c1ccncc1 | |
| 3827,CHEMBL4787165,7520.0,CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC | |
| 1414,CHEMBL3133242,7520.0,COc1cc(/C=C/c2ccc(OCCCCCCN(C)C)cc2)cc(OC)c1 | |
| 555,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 1122,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 2112,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 618,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 513,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 2637,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 1485,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 1150,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 173,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 299,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 265,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 135,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 1232,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 149,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 964,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 750,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 368,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 294,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 745,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 2977,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 585,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 587,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 4612,CHEMBL5394729,7540.0,Cc1cc(=O)oc2c(NC(=O)c3cccnc3)c(O)ccc12 | |
| 776,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 324,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 344,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 1508,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 1513,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 2246,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 782,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 678,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 64,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 548,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 468,CHEMBL92401,7540.0,CC(C)NNC(=O)c1ccncc1 | |
| 401,CHEMBL92401,7547.0,CC(C)NNC(=O)c1ccncc1 | |
| 1450,CHEMBL3218150,7550.0,c1ccc2cc(-c3csc(NN=C4CCCCCCC4)n3)ccc2c1 | |
| 5194,CHEMBL3922755,7560.0,NC1CCC(NC2CC2c2ccc(C(F)(F)F)cc2)CC1 | |
| 2410,CHEMBL3922755,7560.0,NC1CCC(NC2CC2c2ccc(C(F)(F)F)cc2)CC1 | |
| 5355,CHEMBL3922755,7560.0,NC1CCC(NC2CC2c2ccc(C(F)(F)F)cc2)CC1 | |
| 5267,CHEMBL3922755,7560.0,NC1CCC(NC2CC2c2ccc(C(F)(F)F)cc2)CC1 | |
| 2943,CHEMBL4204002,7580.0,C#CCN(CCCOc1ccc2ccc(=O)oc2c1)Cc1ccc(C(C)C)cc1 | |
| 1767,CHEMBL92401,7590.0,CC(C)NNC(=O)c1ccncc1 | |
| 3624,CHEMBL4449829,7590.0,Cn1c(=O)c2c(nc3n2CCN(C2Cc4ccccc4C2)C3)n(C)c1=O | |
| 2472,CHEMBL4100880,7590.0,CCCCCCC1OC(=O)c2cc(N3N=C(C)CC3=O)ccc21 | |
| 2649,CHEMBL4064598,7600.0,C#CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC | |
| 2485,CHEMBL4090002,7600.0,CN1CCC(Oc2ccc(OCc3cccc(NC(=O)c4cc5sccc5n4C)c3)cc2)CC1 | |
| 2526,CHEMBL4069293,7600.0,CC(C)N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1 | |
| 3507,CHEMBL393467,7610.0,NC(=S)N/N=C/c1ccccc1F | |
| 234,CHEMBL597716,7610.0,COc1ccc2c(=S)cc(-c3ccc(C)cc3)oc2c1 | |
| 5001,CHEMBL5631053,7620.0,CCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)ccc4O)CC3=O)ccc21 | |
| 1098,CHEMBL2313290,7630.0,Cn1c(=O)c2c(c3ccc(-c4ccccc4)cc3n2C)n(C)c1=O | |
| 4324,CHEMBL5192344,7630.0,CCCCC1OC(=O)c2cc(OCc3cccc(CN4CCOCC4)c3O)ccc21 | |
| 3024,CHEMBL8706,7647.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1596,CHEMBL92401,7650.0,CC(C)NNC(=O)c1ccncc1 | |
| 4925,CHEMBL1392842,7660.0,O=C(Nc1ccccc1)c1ccc2c(c1)OCCO2 | |
| 1262,CHEMBL1269118,7670.0,O=C(/C=C/c1ccco1)c1ccc(F)cc1 | |
| 3571,CHEMBL4456999,7680.0,Cn1c(=O)[nH]c2ccc(OCc3ccc(Cl)c(Cl)c3)cc21 | |
| 1589,CHEMBL3297793,7680.0,O=C(Sc1ncccn1)c1cc2ccccc2oc1=O | |
| 86,CHEMBL472638,7680.0,NCCNC(=O)c1cc2ccccc2oc1=O | |
| 2074,CHEMBL92401,7690.0,CC(C)NNC(=O)c1ccncc1 | |
| 2282,CHEMBL3945872,7700.0,COc1cc(/C=C/C(=O)Nc2cccc(CN(C)Cc3ccccc3)c2)ccc1O | |
| 1013,CHEMBL2177465,7710.0,CCN(CC)c1ccc(/C=C2\Cc3cc(O)c(O)cc3C2=O)cc1.Cc1ccc(S(=O)(=O)O)cc1 | |
| 4030,CHEMBL4860050,7710.0,C#CCNC1CCc2c(SCc3cccc(C(F)(F)F)c3)cccc21 | |
| 945,CHEMBL2088321,7790.0,Cn1c(=O)c2c(nc(CCSc3ccc(Cl)cc3)n2C)n(C)c1=O | |
| 1542,CHEMBL92401,7800.0,CC(C)NNC(=O)c1ccncc1 | |
| 3810,CHEMBL4776936,7800.0,CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1 | |
| 4250,CHEMBL4856722,7800.0,NC1CC12CCc1ccccc12 | |
| 4087,CHEMBL4856722,7800.0,NC1CC12CCc1ccccc12 | |
| 4037,CHEMBL4862202,7810.0,C#CCNC1CCc2c(SCCc3cccc(F)c3)cccc21 | |
| 4232,CHEMBL92401,7810.0,CC(C)NNC(=O)c1ccncc1 | |
| 1407,CHEMBL92401,7820.0,CC(C)NNC(=O)c1ccncc1 | |
| 2029,CHEMBL92401,7820.0,CC(C)NNC(=O)c1ccncc1 | |
| 1676,CHEMBL92401,7820.0,CC(C)NNC(=O)c1ccncc1 | |
| 3406,CHEMBL4451426,7830.0,C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)cc3)nc(C)n2)cc1 | |
| 4878,CHEMBL5571128,7868.0,NS(=O)(=O)c1ccc(COc2ccc3c(N4CCNCC4)cc(=O)oc3c2)cc1 | |
| 2694,CHEMBL274117,7870.0,O=C1C=CC(=O)C(c2ccccc2)=C1 | |
| 2989,CHEMBL92401,7890.0,CC(C)NNC(=O)c1ccncc1 | |
| 1734,CHEMBL3407588,7900.0,C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC)c5ncccc45)CC3)ccc2n1C | |
| 5140,CHEMBL3651145,7900.0,COc1ccc(CN[C@H]2CC2c2ccccc2)c(Cl)c1OC | |
| 1582,CHEMBL3299111,7900.0,CC(C)(C)NC(=O)c1cc2ccccc2oc1=O | |
| 1952,CHEMBL3651145,7900.0,COc1ccc(CN[C@H]2CC2c2ccccc2)c(Cl)c1OC | |
| 3555,CHEMBL4553116,7920.0,C#CCNC1CCc2ccc(OCCCN3CCCCC3)cc21 | |
| 3022,CHEMBL4239451,7928.0,COC(=O)C[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C)CC(=O)O | |
| 1499,CHEMBL1325943,7960.0,Cc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1 | |
| 2102,CHEMBL92401,7970.0,CC(C)NNC(=O)c1ccncc1 | |
| 2726,CHEMBL92401,7980.0,CC(C)NNC(=O)c1ccncc1 | |
| 5107,CHEMBL3651104,8000.0,Cc1ccnc(CN[C@H]2CC2c2ccccc2)c1 | |
| 4572,CHEMBL434261,8000.0,N#CCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1 | |
| 1914,CHEMBL3651104,8000.0,Cc1ccnc(CN[C@H]2CC2c2ccccc2)c1 | |
| 3019,CHEMBL4242255,8000.0,CN(CC(=O)O)[C@H](COCc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 | |
| 4571,CHEMBL145748,8000.0,N#CCCn1nnc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1 | |
| 1978,CHEMBL3651112,8000.0,Fc1cccnc1CN[C@H]1CC1c1ccccc1 | |
| 5114,CHEMBL3651112,8000.0,Fc1cccnc1CN[C@H]1CC1c1ccccc1 | |
| 919,CHEMBL2062880,8030.0,O=c1ccoc2cccc(OCc3ccccc3)c12 | |
| 2152,CHEMBL92401,8040.0,CC(C)NNC(=O)c1ccncc1 | |
| 4839,CHEMBL5532495,8049.67,Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1F | |
| 5005,CHEMBL5624656,8050.0,CCCCC1OC(=O)c2cc(N3N=C(c4ccc(Cl)cc4O)CC3=O)ccc21 | |
| 4177,CHEMBL5078152,8050.0,C#CCn1nc(/C=C/c2ccc(OC)cc2)oc1=O | |
| 1539,CHEMBL3261211,8050.0,CCCCCCN(CCCCCC)C(=O)c1cc2ccccc2oc1=O | |
| 2227,CHEMBL3797838,8090.0,Cc1ccc(-c2cc3cc4c(cc3n2O)C(=O)NC4=O)cc1 | |
| 3409,CHEMBL4459207,8090.0,C#CCOc1ccc(-c2cc(-c3cccc(OCC#C)c3)nc(C)n2)cc1 | |
| 5122,CHEMBL3651120,8100.0,Nc1ncccc1CN[C@H]1CC1c1ccccc1 | |
| 3209,CHEMBL4556096,8100.0,O=C(/C=C/c1ccc(OCCN2CCCC2)cc1)c1ccc(OCCN2CCCC2)cc1O | |
| 1986,CHEMBL3651120,8100.0,Nc1ncccc1CN[C@H]1CC1c1ccccc1 | |
| 2533,CHEMBL4065398,8100.0,CC(C)N1CCN(CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1 | |
| 2470,CHEMBL4081930,8120.0,CCCCC1OC(=O)c2cc(N3N=C(C)CC3=O)ccc21 | |
| 4988,CHEMBL5597283,8152.0,C#CCOc1cccc(-c2cc(/C(C)=C\c3ccccc3)nc(N)n2)c1 | |
| 4396,CHEMBL396778,8160.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 2665,CHEMBL4081393,8200.0,C#CCN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 2250,CHEMBL3806180,8230.0,O=C1/C(=C/c2cccnc2)COc2ccccc21 | |
| 2792,CHEMBL92401,8240.0,CC(C)NNC(=O)c1ccncc1 | |
| 2934,CHEMBL4205890,8298.0,C#CCN(CCOc1ccc2ccc(=O)oc2c1)Cc1ccccc1 | |
| 5160,CHEMBL2418210,8300.0,c1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1 | |
| 2537,CHEMBL4084335,8300.0,C#CCN(CCCCCOc1ccc2c(c1)NC(=O)CC2)Cc1ccccc1 | |
| 2662,CHEMBL3547058,8300.0,CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 3213,CHEMBL4466366,8300.0,O=C(/C=C/c1ccc(OCCCN2CCCC2)cc1)c1ccc(OCCCN2CCCC2)cc1O | |
| 3809,CHEMBL4777412,8300.0,CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1 | |
| 2280,CHEMBL3965783,8300.0,O=C(/C=C/c1ccc(O)cc1O)NCCC1CCN(Cc2ccccc2)CC1 | |
| 2376,CHEMBL2418210,8300.0,c1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1 | |
| 2640,CHEMBL4077879,8300.0,CCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 5013,CHEMBL5630370,8320.0,CCCCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)ccc4O)CC3=O)ccc21 | |
| 2286,CHEMBL3932083,8320.0,CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2 | |
| 2887,CHEMBL4214996,8340.0,Cl.NCCc1ccc(-c2ccccc2Cl)cc1 | |
| 3376,CHEMBL92401,8350.0,CC(C)NNC(=O)c1ccncc1 | |
| 2087,CHEMBL3764276,8390.0,O=c1ccc2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1 | |
| 1872,CHEMBL3613264,8390.0,O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccccc1 | |
| 2643,CHEMBL4086653,8400.0,COc1ccccc1CN(C)CCN1C(=O)c2ccccc2C1=O | |
| 4615,CHEMBL5402353,8410.0,COc1cc(-c2cccc(C(=O)Nc3ccc4[nH]ncc4c3)c2)cc(OC)c1OC | |
| 928,CHEMBL2088314,8420.0,COc1cccc(SCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | |
| 3299,CHEMBL4525062,8444.7,C#CCN1CCC(/C=C\c2ccc(S(C)(=O)=O)cc2)CC1 | |
| 668,CHEMBL1823554,8460.0,CC(=O)N1N=C(c2ccccc2)O[C@@H]1c1ccc(C)cc1 | |
| 5277,CHEMBL4112191,8480.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3ccc4cn[nH]c4c3)cc2)CC1 | |
| 2420,CHEMBL4112191,8480.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3ccc4cn[nH]c4c3)cc2)CC1 | |
| 5365,CHEMBL5812889,8480.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3ccc4cc[nH]c4c3)cc2)CC1 | |
| 5204,CHEMBL4112191,8480.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3ccc4cn[nH]c4c3)cc2)CC1 | |
| 4838,CHEMBL5542541,8481.67,Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4c(c3)OCO4)nn2)cc1F | |
| 4375,CHEMBL5218952,8500.0,C#CCN1CCC(CCc2cccc(OC(=O)N(C)CC)c2)CC1 | |
| 2532,CHEMBL4078982,8500.0,CCN(CC)CCCCCOc1ccc2c(c1)NC(=O)CC2 | |
| 3129,CHEMBL4283390,8500.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O | |
| 3132,CHEMBL92401,8500.0,CC(C)NNC(=O)c1ccncc1 | |
| 522,CHEMBL1642677,8520.0,O=C1Nc2cc(-c3ccccc3)ccc2C1=O | |
| 1112,CHEMBL2333934,8550.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 | |
| 1942,CHEMBL3651136,8600.0,COc1ccc(CN[C@H]2CC2c2ccccc2)cc1F | |
| 4262,CHEMBL5170410,8600.0,CCN(CCCCOc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1OC)Cc1ccccc1 | |
| 4182,CHEMBL5200969,8600.0,COc1cc(/C=C/C(=O)N2CCc3ccccc3C2)ccc1OCCCCN(CNCc1ccccc1)CNCc1ccccc1 | |
| 5133,CHEMBL3651136,8600.0,COc1ccc(CN[C@H]2CC2c2ccccc2)cc1F | |
| 2539,CHEMBL4092092,8600.0,CCN(CC)CCCCCCOc1ccc2c(c1)NC(=O)CC2 | |
| 2861,CHEMBL4218690,8600.0,Oc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1Cl | |
| 3067,CHEMBL4278574,8610.0,CN(CCCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1)c1ccccc1 | |
| 4116,CHEMBL4858292,8620.0,C#CCN(C)C1=CC(=O)c2ccccc2C1=O | |
| 676,CHEMBL1830828,8620.0,O=C(O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O | |
| 2789,CHEMBL4159126,8630.0,COc1cccc(OCc2ccc(Br)cc2)c1 | |
| 3142,CHEMBL4282558,8700.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3cccc(Cl)c3)CC2)cc(C(C)(C)C)c1O | |
| 5158,CHEMBL3967344,8700.0,Fc1ccc(-c2nc3ccc(N4CCCC4)nc3o2)cc1 | |
| 2374,CHEMBL3967344,8700.0,Fc1ccc(-c2nc3ccc(N4CCCC4)nc3o2)cc1 | |
| 2391,CHEMBL2418199,8720.0,c1ccc(-c2nc3ccc(NC4CCCCC4)nc3o2)cc1 | |
| 5175,CHEMBL2418199,8720.0,c1ccc(-c2nc3ccc(NC4CCCCC4)nc3o2)cc1 | |
| 870,CHEMBL2058699,8750.0,CSC1=NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | |
| 4041,CHEMBL4866427,8780.0,C#CCNC1CCc2c(SCCc3ccc(C(F)(F)F)cc3)cccc21 | |
| 2969,CHEMBL4210805,8800.0,COc1ccc2oc(=O)c(-c3ccc(Cl)nn3)cc2c1 | |
| 3751,CHEMBL8706,8850.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2478,CHEMBL8706,8850.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1438,CHEMBL3218138,8850.0,C=CCC/C(C)=N\Nc1nc(-c2ccccc2)c(C)s1 | |
| 4258,CHEMBL8706,8870.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 116,CHEMBL448696,8890.0,CN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1 | |
| 395,CHEMBL1253606,8890.0,O=C1Cc2cc(OC(=O)c3ccccc3)ccc2O1 | |
| 5334,CHEMBL5873859,8900.0,NC1CC1c1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 | |
| 2657,CHEMBL4085625,8900.0,CC(C)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 | |
| 4104,CHEMBL4850978,8900.0,CCN(CCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1 | |
| 3826,CHEMBL4792013,8900.0,COc1cc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC(=O)N(C)C | |
| 3135,CHEMBL4284895,8900.0,Cc1ccc(CN2CCC(CCNC(=O)/C=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc1 | |
| 200,CHEMBL551075,8900.0,COc1cc(O)ccc1O | |
| 2327,CHEMBL92401,8960.0,CC(C)NNC(=O)c1ccncc1 | |
| 1809,CHEMBL3416425,8980.0,Cl.NC1CC1c1ccc(NC(=O)c2ccccc2)cc1 | |
| 2185,CHEMBL3546846,9000.0,N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 | |
| 884,CHEMBL512332,9017.0,C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C | |
| 3195,CHEMBL4475172,9020.0,c1ncn(Cc2ccc(-c3noc(-c4ccc(C5=NCCN5)cc4)n3)cc2)n1 | |
| 4186,CHEMBL5188541,9060.0,COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3.[Br-] | |
| 2530,CHEMBL4074152,9100.0,C#CCN(CCCCOc1ccc2c(c1)NC(=O)CC2)Cc1ccccc1 | |
| 4616,CHEMBL5417092,9100.0,N#Cc1ccc(-c2cccc(C(=O)Nc3ccc4[nH]ncc4c3)c2)cc1 | |
| 2666,CHEMBL4099414,9100.0,C#CCN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC | |
| 4609,CHEMBL5436279,9110.0,COc1ccc(C(=O)Nc2c(O)ccc3c(C)cc(=O)oc23)cc1OC | |
| 1896,CHEMBL3629466,9170.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3ccccc3oc2=O)cc1 | |
| 3737,CHEMBL4641877,9200.0,CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)cc(O)cc1O | |
| 2608,CHEMBL4063174,9210.0,O=c1ccc2ccc(OCCN3CCCCC3)cc2o1 | |
| 4327,CHEMBL5197243,9220.0,O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3NCC3CNC3)ccc21 | |
| 107,CHEMBL472069,9230.0,O=C(Nc1c(F)cccc1F)c1cc2ccccc2oc1=O | |
| 3373,CHEMBL4591420,9230.0,CC(C)=CCc1c(O)cc([C@@H](Oc2ccc(/C=C/c3cc(O)c4c(c3)OC(C)(C)CC4)cc2)[C@@H](C)c2ccc(O)cc2)cc1O | |
| 771,CHEMBL1934042,9240.0,COc1ccc(/C=N/Nc2nc(-c3ccc(F)cc3)cs2)cc1 | |
| 5002,CHEMBL5631106,9250.0,CCCCC1OC(=O)c2cc(N3N=C(c4cc(Br)ccc4O)CC3=O)ccc21 | |
| 5004,CHEMBL5630198,9260.0,CCCCC1OC(=O)c2cc(N3N=C(c4cc([N+](=O)[O-])ccc4O)CC3=O)ccc21 | |
| 779,CHEMBL1934675,9260.0,COc1ccc(-c2c(O)c3ccccc3oc2=O)cc1Cl | |
| 3140,CHEMBL4281066,9300.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(F)c(F)c3)CC2)cc(C(C)(C)C)c1O | |
| 4544,CHEMBL5278774,9300.0,CCOc1ccc([N+](=O)[O-])c(N/N=C/c2ccc(O)cc2)n1 | |
| 4392,CHEMBL5219373,9300.0,C#CCNCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O | |
| 1678,CHEMBL3394544,9334.0,O=c1oc2cc(NCc3ccccc3O)ccc2c2c1CCC2 | |
| 3293,CHEMBL4462585,9352.5,C#CCN1CCC(/C=C\c2cccc(C(F)(F)F)c2)CC1 | |
| 180,CHEMBL520061,9360.0,COc1c(OCC(C)=O)ccc2c1oc(=O)c1ccccc12 | |
| 2528,CHEMBL4080020,9400.0,O=C1CCc2ccc(OCCCCN3CCN(Cc4ccccc4)CC3)cc2N1 | |
| 2653,CHEMBL4069776,9400.0,CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC | |
| 4252,CHEMBL5196914,9410.0,CC1(C)C(N[C@@H]2C[C@H]2c2ccccc2)CCC1N[C@@H]1C[C@H]1c1ccccc1 | |
| 435,CHEMBL1254935,9446.0,CC1CCC(=NNc2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 | |
| 4686,CHEMBL5403156,9495.0,COc1ccccc1-c1cc2cc(CN[C@@H](C)C(N)=O)ccc2o1 | |
| 3485,CHEMBL4573947,9500.0,COc1ccccc1/C=C/C(=O)c1ccc(OCCCCN2CCc3ccccc3C2)cc1O | |
| 1956,CHEMBL3651138,9500.0,c1ccc(C2C[C@@H]2NCc2cccc3c2OCCCO3)cc1 | |
| 3813,CHEMBL4800310,9500.0,CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N(CC)Cc2ccccc2)cc1OC | |
| 5135,CHEMBL3651138,9500.0,c1ccc(C2C[C@@H]2NCc2cccc3c2OCCCO3)cc1 | |
| 1757,CHEMBL3417303,9510.0,O=c1ccc2ccc(OCCCCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 660,CHEMBL1823547,9530.0,CC(=O)N1N=C(c2ccccc2)OC1c1ccc(F)cc1 | |
| 348,CHEMBL1243213,9550.0,C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc(Cl)cc3)cs2)C1 | |
| 2084,CHEMBL442687,9570.0,O=c1oc2cc(O)ccc2s1 | |
| 118,CHEMBL499266,9590.0,CC(C)CNC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O | |
| 763,CHEMBL1927679,9600.0,Cn1c(=O)c2c(nc(NCCCCc3ccccc3)n2C)n(C)c1=O | |
| 5129,CHEMBL3651128,9600.0,COc1ccc(F)cc1CN[C@H]1CC1c1ccccc1 | |
| 1919,CHEMBL3651128,9600.0,COc1ccc(F)cc1CN[C@H]1CC1c1ccccc1 | |
| 2940,CHEMBL4205441,9625.0,C#CCN(CCOc1ccc2ccc(=O)oc2c1)Cc1ccc(F)c(F)c1 | |
| 3516,CHEMBL4569986,9630.0,FC(F)(F)Cc1cc2c(N3CCC(CN[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1 | |
| 351,CHEMBL1243057,9650.0,CC1CCC/C(=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1 | |
| 3083,CHEMBL4280044,9680.0,Cc1cccc2cc(-c3ccccc3Br)oc12 | |
| 3998,CHEMBL4875936,9680.0,C#CCNC1CCc2c(SCc3ccc(C(F)(F)F)cc3)cccc21 | |
| 2392,CHEMBL972,9700.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3210,CHEMBL4451613,9700.0,CCN(CC)CCOc1ccc(/C=C/C(=O)c2ccc(OCCN(CC)CC)cc2O)cc1 | |
| 5176,CHEMBL972,9700.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 5132,CHEMBL3651135,9800.0,COc1ccc(CN[C@H]2CC2c2ccccc2)cc1Cl | |
| 1939,CHEMBL3651146,9800.0,c1ccc(C2C[C@@H]2NCc2ccc3[nH]ccc3c2)cc1 | |
| 1944,CHEMBL3651135,9800.0,COc1ccc(CN[C@H]2CC2c2ccccc2)cc1Cl | |
| 3822,CHEMBL4759959,9800.0,COc1cc(/C=C/C(=O)N2CCc3ccccc3C2)ccc1OC(=O)N(C)C | |
| 1856,CHEMBL3605370,9800.0,COc1ccc2c(c1)c1c(n2CCCCCCCCCn2c3c(c4cc(OC)ccc42)CN(C)CC3)CCN(C)C1 | |
| 3141,CHEMBL4293155,9800.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3Cl)CC2)cc(C(C)(C)C)c1O | |
| 5141,CHEMBL3651146,9800.0,c1ccc(C2C[C@@H]2NCc2ccc3[nH]ccc3c2)cc1 | |
| 2647,CHEMBL4091015,9800.0,COc1ccccc1CN(C)CCCN1C(=O)c2ccccc2C1=O | |
| 390,CHEMBL1254550,9830.0,Cc1cc2cc(NC(=O)/C=C/c3cccc(Cl)c3)ccc2[nH]1 | |
| 2388,CHEMBL3954605,9860.0,CNc1ccc2nc(-c3cccc(F)c3)oc2n1 | |
| 5172,CHEMBL3954605,9860.0,CNc1ccc2nc(-c3cccc(F)c3)oc2n1 | |
| 4175,CHEMBL5076731,9870.0,C#CCn1nc(/C=C/c2ccccc2)oc1=O | |
| 520,CHEMBL1642675,9910.0,O=C1Nc2cc(Oc3ccccc3)ccc2C1=O | |
| 4264,CHEMBL4790416,9910.14,C#CCOc1ccc(-c2cc(-c3ccc(OCCN4CCOCC4)cc3)nc(N)n2)cc1 | |
| 518,CHEMBL1642673,9930.0,O=C1Nc2cc(CCc3ccccc3)ccc2C1=O | |
| 3204,CHEMBL4566582,9980.0,c1ccc(OCc2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1 | |
| 1492,CHEMBL3219621,10000.0,c1ccc(/N=N/c2ccccn2)cc1 | |
| 163,CHEMBL446771,10000.0,N[C@@H]1C[C@]1(F)c1ccc(F)cc1 | |
| 5084,CHEMBL3652428,10000.0,Cc1cc(OC(F)(F)F)ccc1-c1ccc2cc(-n3ccnc3)ccc2n1 | |
| 1334,CHEMBL3093219,10000.0,CCCn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n(CCC)c1=O | |
| 1397,CHEMBL3121780,10000.0,C#CCCCOc1ccc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(=O)oc2c1 | |
| 5085,CHEMBL3652429,10000.0,CS(=O)(=O)c1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 5083,CHEMBL3652427,10000.0,FC(F)(F)Oc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 1962,CHEMBL3652419,10000.0,c1cn(-c2ccc3nc(-c4ccc5c(c4)OCCO5)ncc3c2)cn1 | |
| 1961,CHEMBL3652425,10000.0,Fc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 1960,CHEMBL3652414,10000.0,COc1ccc(-c2ncc3cc(-n4cnc(C)c4)ccc3n2)cc1 | |
| 1949,CHEMBL3652421,10000.0,c1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 1709,CHEMBL1085949,10000.0,Cl.N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1 | |
| 5067,CHEMBL3652411,10000.0,Cc1nccn1-c1ccc2nc(-c3ccccc3)ncc2c1 | |
| 1966,CHEMBL3652420,10000.0,c1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ccc3c2)cn1 | |
| 1964,CHEMBL3652427,10000.0,FC(F)(F)Oc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 1926,CHEMBL3651091,10000.0,Fc1ccc(CN[C@H]2CC2c2ccccc2)cc1 | |
| 1937,CHEMBL3652428,10000.0,Cc1cc(OC(F)(F)F)ccc1-c1ccc2cc(-n3ccnc3)ccc2n1 | |
| 1941,CHEMBL3652415,10000.0,COc1ccccc1-c1ncc2cc(-n3cnc(C)c3)ccc2n1 | |
| 5514,CHEMBL5954147,10000.0,NC/C(=C/F)COc1ccc2c(n1)CCN(C1CC1)C2=O | |
| 1922,CHEMBL3652423,10000.0,COc1ccccc1-c1ccc2cc(-n3ccnc3)ccc2n1 | |
| 1920,CHEMBL3652416,10000.0,Cc1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ncc3c2)cn1 | |
| 1906,CHEMBL3652422,10000.0,COc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 3621,CHEMBL4549506,10000.0,Cn1c(=O)c2c(nc3n2CCN(Cc2csc(-c4ccc(C(F)(F)F)cc4)n2)C3)n(C)c1=O | |
| 3620,CHEMBL4554778,10000.0,Cn1c(=O)c2c(nc3n2CCN(Cc2csc(-c4ccc(Cl)cc4)n2)C3)n(C)c1=O | |
| 3644,CHEMBL4444119,10000.0,Cn1c(=O)c2c(nc3n2CCN(c2ccccc2)C3)n(C)c1=O | |
| 3631,CHEMBL4456413,10000.0,Cn1c(=O)c2c(nc3n2CCN(CCc2cccc(F)c2F)C3)n(C)c1=O | |
| 3632,CHEMBL4464931,10000.0,Cn1c(=O)c2c(nc3n2CCN(CCc2cccc(C(F)(F)F)c2)C3)n(C)c1=O | |
| 3630,CHEMBL4552824,10000.0,Cn1c(=O)c2c(nc3n2CCN(CCc2cc(C(F)(F)F)ccc2F)C3)n(C)c1=O | |
| 3635,CHEMBL4469103,10000.0,Cn1c(=O)c2c(nc3n2CCN(CCc2cccc(Cl)c2)C3)n(C)c1=O | |
| 1945,CHEMBL3652413,10000.0,Cc1cncn1-c1ccc2nc(-c3ccccc3)ncc2c1 | |
| 1931,CHEMBL3652424,10000.0,c1cn(-c2ccc3nc(-c4ccoc4)ccc3c2)cn1 | |
| 3637,CHEMBL4461040,10000.0,Cn1c(=O)c2c(nc3n2CCN(CCc2ccccc2F)C3)n(C)c1=O | |
| 3619,CHEMBL4470777,10000.0,Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCn2c(nc3c2c(=O)n(C)c(=O)n3C)C1 | |
| 2980,CHEMBL4217755,10000.0,Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(F)cc4)cc3)ccc12.[Br-] | |
| 1913,CHEMBL3652411,10000.0,Cc1nccn1-c1ccc2nc(-c3ccccc3)ncc2c1 | |
| 5103,CHEMBL3651100,10000.0,Fc1ccccc1CN[C@H]1CC1c1ccccc1 | |
| 1985,CHEMBL2179398,10000.0,c1ccc(-c2ncc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 1971,CHEMBL3652417,10000.0,c1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ncc3c2)cn1 | |
| 1972,CHEMBL3652429,10000.0,CS(=O)(=O)c1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 1359,CHEMBL3093312,10000.0,C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(OC)c2)n(C)c1=O | |
| 1358,CHEMBL3093313,10000.0,C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(OC)cc2)n(C)c1=O | |
| 1973,CHEMBL3652418,10000.0,c1cn(-c2ccc3nc(-c4ccc5occc5c4)ncc3c2)cn1 | |
| 5076,CHEMBL3652420,10000.0,c1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ccc3c2)cn1 | |
| 5071,CHEMBL3652415,10000.0,COc1ccccc1-c1ncc2cc(-n3cnc(C)c3)ccc2n1 | |
| 5075,CHEMBL3652419,10000.0,c1cn(-c2ccc3nc(-c4ccc5c(c4)OCCO5)ncc3c2)cn1 | |
| 5069,CHEMBL3652413,10000.0,Cc1cncn1-c1ccc2nc(-c3ccccc3)ncc2c1 | |
| 5070,CHEMBL3652414,10000.0,COc1ccc(-c2ncc3cc(-n4cnc(C)c4)ccc3n2)cc1 | |
| 1337,CHEMBL3093214,10000.0,Cn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(Cc3ccccc3)CC2)n(C)c1=O | |
| 5081,CHEMBL3652425,10000.0,Fc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 5068,CHEMBL3652412,10000.0,Cc1cn(-c2ccc3nc(-c4ccccc4)ncc3c2)cn1 | |
| 5094,CHEMBL3651091,10000.0,Fc1ccc(CN[C@H]2CC2c2ccccc2)cc1 | |
| 5080,CHEMBL3652424,10000.0,c1cn(-c2ccc3nc(-c4ccoc4)ccc3c2)cn1 | |
| 5079,CHEMBL3652423,10000.0,COc1ccccc1-c1ccc2cc(-n3ccnc3)ccc2n1 | |
| 1357,CHEMBL3093315,10000.0,C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccs2)n(C)c1=O | |
| 1356,CHEMBL3093325,10000.0,CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(CC)c1=O | |
| 5072,CHEMBL3652416,10000.0,Cc1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ncc3c2)cn1 | |
| 1355,CHEMBL3093326,10000.0,CCn1c(=O)c2c(nc3n2CCCN3c2ccc(O)cc2)n(CC)c1=O | |
| 1363,CHEMBL3093331,10000.0,C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Br)c2)n(C)c1=O | |
| 5078,CHEMBL3652422,10000.0,COc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 5077,CHEMBL3652421,10000.0,c1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 5066,CHEMBL2179398,10000.0,c1ccc(-c2ncc3cc(-n4ccnc4)ccc3n2)cc1 | |
| 5074,CHEMBL3652418,10000.0,c1cn(-c2ccc3nc(-c4ccc5occc5c4)ncc3c2)cn1 | |
| 5073,CHEMBL3652417,10000.0,c1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ncc3c2)cn1 | |
| 4427,CHEMBL5272826,10000.0,O=C(OCc1ccc(Cl)cc1)c1coc2ccccc2c1=O | |
| 1335,CHEMBL3093218,10000.0,CCCn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(c3ccccc3)CC2)n(CCC)c1=O | |
| 1348,CHEMBL3093233,10000.0,Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O | |
| 1339,CHEMBL3093240,10000.0,Cn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(c3ccccc3)CC2)n(C)c1=O | |
| 1347,CHEMBL3093234,10000.0,Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)c(Cl)c2)n(C)c1=O | |
| 1362,CHEMBL3093333,10000.0,C#CCn1c(=O)c2c(nc3n2CCCN3c2ccc(C(C)C)cc2)n(C)c1=O | |
| 1987,CHEMBL3652412,10000.0,Cc1cn(-c2ccc3nc(-c4ccccc4)ncc3c2)cn1 | |
| 1979,CHEMBL3651100,10000.0,Fc1ccccc1CN[C@H]1CC1c1ccccc1 | |
| 893,CHEMBL404232,10017.0,CN1C(=N)N(C)/C(=C/c2c[nH]c3ccccc23)C1=O | |
| 4524,CHEMBL317221,10040.0,COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O)c1 | |
| 680,CHEMBL1830809,10060.0,CCOC(=O)c1cc2cc(O)ccc2oc1=O | |
| 2394,CHEMBL4115421,10070.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 5339,CHEMBL4115421,10070.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 5178,CHEMBL4115421,10070.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 5251,CHEMBL4115421,10070.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 | |
| 1415,CHEMBL3133241,10090.0,CCN(CC)CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1 | |
| 5164,CHEMBL2418206,10100.0,Fc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 3173,CHEMBL4535515,10100.0,NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1 | |
| 2527,CHEMBL4098050,10100.0,O=C1CCc2ccc(OCCCCN3CCN(c4ccccn4)CC3)cc2N1 | |
| 2380,CHEMBL2418206,10100.0,Fc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 | |
| 5219,CHEMBL5947838,10120.0,c1ccc([C@H]2C[C@@H]2NCCC2CCNCC2)cc1 | |
| 5389,CHEMBL5947838,10120.0,c1ccc([C@H]2C[C@@H]2NCCC2CCNCC2)cc1 | |
| 5413,CHEMBL5947838,10120.0,c1ccc([C@H]2C[C@@H]2NCCC2CCNCC2)cc1 | |
| 2871,CHEMBL4207105,10140.0,Oc1cc(O)c(/C=N/c2ccc(OCc3ccccc3)cc2)c(O)c1 | |
| 2556,CHEMBL4070319,10151.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)nc2ccccc21 | |
| 1895,CHEMBL3629474,10160.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3cc(F)ccc3oc2=O)cc1 | |
| 5033,CHEMBL5646872,10170.0,C#CCOc1ccc(-c2cc(=O)c3c(OC)cc(F)cc3o2)cc1 | |
| 3402,CHEMBL3291021,10200.0,C#CCN(C)Cc1ccc(O)c2ncccc12 | |
| 3462,CHEMBL4445756,10200.0,CC(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1O | |
| 2695,CHEMBL8320,10200.0,O=C1C=CC(=O)C=C1 | |
| 2239,CHEMBL3805270,10210.0,O=C1/C(=C/c2c[nH]cn2)COc2cc(Cl)cc(Cl)c21 | |
| 2848,CHEMBL4169974,10220.0,C#CCNC1CCc2c(OCCCOc3ccccc3)cccc21 | |
| 3944,CHEMBL4779214,10300.0,C#CCN1CCC(COC(=O)Nc2ccccc2)CC1 | |
| 4670,CHEMBL241861,10300.0,O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1O | |
| 3799,CHEMBL4647293,10300.0,COC(=O)C(C)c1ccc(-c2ccc(NCc3cc(N(C)C)ccc3O)cc2)c(F)c1 | |
| 2221,CHEMBL3798540,10300.0,N#Cc1cc2cc(-c3ccccc3)n(O)c2cc1C#N | |
| 3651,CHEMBL4446827,10300.0,COc1ccc2c(c1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 | |
| 2560,CHEMBL4074578,10333.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3cc(O)cc(O)c3)cc2)nc2ccccc21 | |
| 1584,CHEMBL3297785,10350.0,CC(C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O | |
| 2253,CHEMBL3806014,10400.0,COc1ccc2c(c1)OC/C(=C\c1cnc(N(C)C)nc1)C2=O | |
| 5130,CHEMBL3651129,10400.0,COc1ccc(CN[C@H]2CC2c2ccccc2)c(F)c1 | |
| 1641,CHEMBL3330331,10400.0,Cl.N[C@@]1(c2ccccc2)C[C@H]1c1ccccc1 | |
| 2650,CHEMBL4086843,10400.0,CC(C)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 | |
| 1988,CHEMBL3651129,10400.0,COc1ccc(CN[C@H]2CC2c2ccccc2)c(F)c1 | |
| 5454,CHEMBL5902769,10410.0,CS(=O)(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1 | |
| 1243,CHEMBL2417773,10440.0,CN1N=C(c2ccc(O)cc2)CC1c1ccccc1Cl | |
| 1581,CHEMBL472081,10460.0,CC(C)NC(=O)c1cc2ccccc2oc1=O | |
| 5007,CHEMBL5624777,10480.0,CCCCC1OC(=O)c2cc(N3N=C(c4cccc(Br)c4O)CC3=O)ccc21 | |
| 2850,CHEMBL4161656,10490.0,C#CCNC1CCc2c(OCCCOc3ccc(CC)cc3)cccc21 | |
| 3552,CHEMBL4553116,10495.0,C#CCNC1CCc2ccc(OCCCN3CCCCC3)cc21 | |
| 3045,CHEMBL4292257,10500.0,C[C@@H]1[C@H](NCc2ccc(Cl)cc2)[C@H]1c1ccccc1 | |
| 3742,CHEMBL4638347,10500.0,CC(C)=CCC/C(C)=C/Cc1c(C)cc(O)c(O)c1O | |
| 641,CHEMBL1823805,10510.0,CN1C(=O)/C(=C\c2ccccc2)SC1=S | |
| 2235,CHEMBL3805911,10510.0,CN(C)c1ccc(/C=C2\COc3cc(Cl)cc(Cl)c3C2=O)cn1 | |
| 2417,CHEMBL3920987,10560.0,N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 5362,CHEMBL3920987,10560.0,N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 5274,CHEMBL3920987,10560.0,N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 5201,CHEMBL3920987,10560.0,N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 1529,CHEMBL3261200,10560.0,O=C(NCCCN1CCOCC1)c1cc2cc(Br)cc(Br)c2oc1=O | |
| 190,CHEMBL488916,10600.0,Cc1cc(=O)oc2c(C)c(OC3CCCC3=O)ccc12 | |
| 2240,CHEMBL3806278,10620.0,COc1ccc2c(c1)OC/C(=C\c1c[nH]cn1)C2=O | |
| 4545,CHEMBL5275847,10640.0,CCOc1ccc([N+](=O)[O-])c(N/N=C/c2ccco2)n1.Cl | |
| 1012,CHEMBL2177466,10700.0,CCN(C)c1ccc(/C=C2\Cc3cc(O)c(O)cc3C2=O)cc1.Cc1ccc(S(=O)(=O)O)cc1 | |
| 3479,CHEMBL4574317,10700.0,O=C(/C=C/c1cccc(OCCCN2CCc3ccccc3C2)c1)c1ccccc1O | |
| 595,CHEMBL1529697,10705.0,Cn1c(=O)c2c(nc(Oc3ccccc3)n2C)n(C)c1=O | |
| 2877,CHEMBL4211040,10710.0,COc1ccc(O)c(/C=N/c2ccc(OCc3ccccc3)cc2)c1 | |
| 2012,CHEMBL3734880,10710.0,Cc1ccc2oc(=O)c(-c3cccc(OCCCCBr)c3)cc2c1 | |
| 3086,CHEMBL4292614,10730.0,Cc1cccc2cc(-c3ccccc3)oc12 | |
| 2212,CHEMBL3787128,10800.0,CN1CCN(c2ccc(/C=C3\Oc4cc(O)cc(O)c4C3=O)cc2)CC1 | |
| 4184,CHEMBL5184096,10800.0,O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2ccccc12 | |
| 4094,CHEMBL4863690,10800.0,CCN(CCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1OC | |
| 820,CHEMBL1950701,10800.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(F)c1 | |
| 1469,CHEMBL3219197,10840.0,C/C(=N\Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc2ccccc2oc1=O | |
| 4009,CHEMBL4860189,10840.0,C#CCNC1CCc2c(SCCc3ccc(Cl)cc3)cccc21 | |
| 2881,CHEMBL4217065,10840.0,Oc1c(Br)cc(Br)cc1/C=N/c1ccc(OCc2ccccc2)cc1 | |
| 1447,CHEMBL3218147,10840.0,CC1CCC/C(=N\Nc2nc(-c3ccc4ccccc4c3)cs2)C1 | |
| 4848,CHEMBL5569915,10850.0,Cc1c(Cl)c(=O)oc2cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)ccc12 | |
| 4082,CHEMBL4851520,10850.0,CN1CCN(C(=O)CN[C@@H]2C[C@H]2c2ccc(F)nc2)CC1 | |
| 4389,CHEMBL5219309,10860.0,C#CCNCCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O | |
| 4991,CHEMBL5596371,10892.0,C#CCOc1ccc(-c2cc(/C=C\c3ccccc3)ncn2)cc1 | |
| 1014,CHEMBL2177464,10900.0,CN(C)c1ccc(/C=C2\Cc3cc(O)c(O)cc3C2=O)cc1.Cc1ccc(S(=O)(=O)O)cc1 | |
| 2790,CHEMBL4169774,10900.0,COc1cccc(OCc2cccc(C)c2)c1 | |
| 4548,CHEMBL5272839,10960.0,Cc1ccc(C2=NO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 | |
| 1306,CHEMBL972,10960.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 849,CHEMBL2029543,10960.0,NC/C=C(/F)COc1ccc(C(=O)N2CCCC2)cc1 | |
| 3422,CHEMBL4455144,10970.0,C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)c(OCC)c3)nc(C)n2)cc1 | |
| 625,CHEMBL1823815,11000.0,O=C(/C=C1/SC(=O)NC1=O)Nc1cccc(O)c1 | |
| 337,CHEMBL1222341,11000.0,O=C(CC1SC(=O)NC1=O)Nc1cccc(O)c1 | |
| 1827,CHEMBL8706,11000.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1202,CHEMBL2392121,11000.0,CC(=O)Nc1nc(CCc2ccc(Cc3c[nH]c(N)n3)cc2)cs1.Cl | |
| 5097,CHEMBL3651094,11000.0,c1ccc(C2C[C@@H]2NCc2ccccn2)cc1 | |
| 1963,CHEMBL3651094,11000.0,c1ccc(C2C[C@@H]2NCc2ccccn2)cc1 | |
| 339,CHEMBL1221930,11050.0,Cc1cc(Br)c2oc(=O)c(-c3ccccc3)cc2c1 | |
| 1106,CHEMBL2333927,11070.0,C#CCN(C)[C@H](C)Cc1ccc(OCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 | |
| 2975,CHEMBL4218045,11100.0,COc1ccc2oc(=O)c(-c3ccc(OC)nn3)cc2c1 | |
| 3138,CHEMBL4284475,11100.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O | |
| 4121,CHEMBL4868945,11100.0,O=C(Nc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc2c1=O | |
| 3416,CHEMBL4520073,11130.0,C#CCOc1ccccc1-c1cc(-c2ccccc2OCC#C)nc(N)n1 | |
| 1057,CHEMBL2204771,11200.0,N#Cc1ccc(Sc2ccccc2)cc1 | |
| 3687,CHEMBL4586575,11200.0,C#CCN(C)Cc1cn(CCc2ccccc2)nn1 | |
| 4781,CHEMBL5430903,11200.0,Cc1cc(C)c(C(=O)/C=C/c2nc(C)c(C)nc2C)cc1C | |
| 3268,CHEMBL4437278,11229.4,C#CCN1CCCC(CCc2cc(F)c(F)cc2F)C1 | |
| 3838,CHEMBL4798359,11230.0,COc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1 | |
| 4049,CHEMBL4865811,11270.0,C#CCNC1CCc2c(NCc3cccc(C(F)(F)F)c3)cccc21 | |
| 2541,CHEMBL4072417,11300.0,O=C1CCc2ccc(OCCCCCCN3CCN(c4ccccn4)CC3)cc2N1 | |
| 2664,CHEMBL4061100,11300.0,COc1ccccc1CN(C)CCCCCCN1C(=O)c2ccccc2C1=O | |
| 907,CHEMBL2058152,11333.0,N=C1NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | |
| 241,CHEMBL17052,11340.0,COc1ccc2c(=O)cc(-c3ccc(C)cc3)oc2c1 | |
| 4887,CHEMBL5592619,11360.0,O=C1O[C@@H](CNS(=O)(=O)C2CC2)CN1c1ccc(N2CCOCC2)c(F)c1 | |
| 3961,CHEMBL4794012,11414.0,C#CCN(C)CCCOc1ccc2c(c1)OCCC2=O | |
| 5015,CHEMBL5624646,11430.0,CCCCCCCC1OC(=O)c2cc(N3N=C(c4ccccc4O)CC3=O)ccc21 | |
| 1651,CHEMBL3330341,11500.0,Cl.N[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1 | |
| 1448,CHEMBL3218148,11530.0,CC1CCC(=NNc2nc(-c3ccc4ccccc4c3)cs2)CC1 | |
| 4026,CHEMBL4868937,11550.0,C#CCNC1CCc2c(SCc3cccc(F)c3)cccc21 | |
| 818,CHEMBL1172318,11550.0,O=C1/C(=C/c2ccccc2O)Oc2cc(O)ccc21 | |
| 2654,CHEMBL4096975,11600.0,COc1ccccc1CN(C)CCCCN1C(=O)c2ccccc2C1=O | |
| 896,CHEMBL2058416,11633.0,C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C | |
| 2674,CHEMBL4092686,11700.0,CC(=O)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1O | |
| 3460,CHEMBL4550348,11700.0,CCN(CC)CCOc1ccc(C(C)=O)c(O)c1 | |
| 2663,CHEMBL4089264,11700.0,CCN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC | |
| 3128,CHEMBL4291237,11700.0,CC(C)(C)c1cc(/C=C/C(=O)NCC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O | |
| 823,CHEMBL1950703,11700.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(F)cc1F | |
| 3171,CHEMBL4561346,11700.0,NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 | |
| 3284,CHEMBL4546068,11745.1,C#CCN1CCC(/C=C\c2ccc(Cl)cc2)CC1 | |
| 619,CHEMBL1814071,11780.0,O=C(Nc1ccc([N+](=O)[O-])cc1)c1coc2ccccc2c1=O | |
| 2296,CHEMBL3291019,11800.0,C#CCN(Cc1ccc(O)c2ncccc12)C(C#N)CCC1CCN(Cc2ccccc2)CC1 | |
| 1495,CHEMBL510349,11810.0,O=c1oc2ccccc2cc1-c1ccccc1 | |
| 3274,CHEMBL4449614,11830.4,C#CCN1CCC(/C=C/c2ccccc2F)CC1 | |
| 1699,CHEMBL3398525,11900.0,N#Cc1cc2c(Br)c(-c3ccccc3)n(O)c2cc1C#N | |
| 441,CHEMBL1076880,11956.0,COc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1 | |
| 4088,CHEMBL4861378,12000.0,COc1ccccc1CNC1CC12CCc1ccccc12 | |
| 2679,CHEMBL4067057,12000.0,CC(=O)c1ccc(OCCCCN2CCN(c3ccccn3)CC2)cc1O | |
| 2291,CHEMBL326294,12070.0,O=C1Nc2ccccc2C1=O | |
| 4110,CHEMBL4868189,12100.0,CN(C)c1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2O)cc1 | |
| 184,CHEMBL488063,12120.0,COc1c(OCC(C)=O)ccc2c3c(c(=O)oc12)CCCC3 | |
| 1204,CHEMBL2402067,12160.0,COc1cc(/C=C/c2ccc(NCc3cc(N(C)C)ccc3O)cc2)cc(OC)c1 | |
| 2553,CHEMBL4089483,12162.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3cccn3C)cc2)nc2ccccc21 | |
| 1412,CHEMBL3133244,12190.0,COc1cc(/C=C/c2ccc(OCCCCCCN3CCCC3)cc2)cc(OC)c1 | |
| 2661,CHEMBL4096963,12200.0,CCN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 | |
| 2687,CHEMBL4072178,12200.0,CC(=O)c1ccc(OCCCCCCN2CCCC2)cc1O | |
| 3821,CHEMBL4745075,12200.0,COc1cc(/C=C/C(=O)N2CCc3ccccc3C2)ccc1OC(=O)N(c1ccccc1)c1ccccc1 | |
| 3407,CHEMBL4548899,12260.0,C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)cc3)nc(-c3ccccc3)n2)cc1 | |
| 1808,CHEMBL3416426,12290.0,Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 | |
| 2786,CHEMBL4176565,12300.0,COc1cccc(OCc2cccc(F)c2)c1 | |
| 1684,CHEMBL3394538,12320.0,Cc1cc(=O)[nH]c2cc(/N=C/c3ccccc3O)ccc12 | |
| 5006,CHEMBL5629924,12350.0,CCCCC1OC(=O)c2cc(N3N=C(c4ccc(Br)cc4O)CC3=O)ccc21 | |
| 4268,CHEMBL5189120,12400.0,CNCc1cc(=O)oc2c(O)c(O)ccc12 | |
| 525,CHEMBL326294,12400.0,O=C1Nc2ccccc2C1=O | |
| 3013,CHEMBL4228361,12400.0,CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccc(N(C)C)cc1 | |
| 2815,CHEMBL4174653,12435.0,C#CCN(C)CCc1cn(-c2cc(NC(=S)NCC)ncn2)cn1 | |
| 2251,CHEMBL3806133,12440.0,O=C1/C(=C/c2ccncc2)COc2ccccc21 | |
| 3144,CHEMBL4292349,12500.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc(C(C)(C)C)c1O | |
| 3139,CHEMBL4291697,12500.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(F)cc3F)CC2)cc(C(C)(C)C)c1O | |
| 4603,CHEMBL5396287,12560.0,Cc1cc(=O)oc2c(NC(=O)c3ccccc3)c(O)ccc12 | |
| 2660,CHEMBL4080466,12600.0,CC(C)N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1 | |
| 2088,CHEMBL3763819,12600.0,O=c1ccc2ccc(OCCCNC3CCN(Cc4ccccc4)CC3)cc2o1 | |
| 3484,CHEMBL4457588,12600.0,O=C(/C=C/c1ccc(F)cc1)c1ccc(OCCCN2CCc3ccccc3C2)cc1O | |
| 4672,CHEMBL2375419,12600.0,O=C(/C=C/c1ccccc1F)c1ccccc1O | |
| 1449,CHEMBL3218149,12610.0,c1ccc2cc(-c3csc(NN=C4CCCCCC4)n3)ccc2c1 | |
| 2559,CHEMBL4084849,12615.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3cccc(OC)c3)cc2)nc2ccccc21 | |
| 1643,CHEMBL3330333,12700.0,Cl.N[C@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1 | |
| 3223,CHEMBL4476091,12700.0,O=C(/C=C/c1ccccc1)c1ccc(OCCCCCCN2CCCC2)cc1O | |
| 4221,CHEMBL5189809,12720.0,O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCN(c5ccccc5Cl)CC4)cc1c23 | |
| 4386,CHEMBL5220446,12730.0,C/C(=N\NCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O)c1ccncc1 | |
| 5448,CHEMBL5770418,12780.0,COC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1 | |
| 4590,CHEMBL28,12800.0,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 | |
| 528,CHEMBL1351571,12800.0,Nc1ccc(OCc2ccccc2)cc1 | |
| 3452,CHEMBL4522546,12800.0,CC(=O)c1ccc(OCCCCN2CCc3ccccc3C2)cc1O | |
| 267,CHEMBL28,12800.0,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 | |
| 994,CHEMBL2151670,12820.0,Fc1ccc(-c2csc(N/N=C\c3cccc4ccccc34)n2)cc1 | |
| 894,CHEMBL2058418,12833.0,C/N=C1\NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C | |
| 284,CHEMBL1081382,12840.0,Cc1ccc(C2CC(c3ccc(Cl)cc3)=NN2C(N)=S)cc1 | |
| 2965,CHEMBL4206008,12850.0,COc1cccc2cc(-c3ccc(Br)nn3)c(=O)oc12 | |
| 2471,CHEMBL4099927,12860.0,CCCCCC1OC(=O)c2cc(N3N=C(C)CC3=O)ccc21 | |
| 244,CHEMBL477846,12940.0,O=c1cc(-c2ccccc2)oc2cc(F)ccc12 | |
| 187,CHEMBL487050,12980.0,COc1c(OCC(C)=O)ccc2c3c(c(=O)oc12)CCC3 | |
| 5098,CHEMBL3639499,13000.0,c1ccc(C2C[C@@H]2NCc2cccnc2)cc1 | |
| 330,CHEMBL568150,13000.0,O=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1 | |
| 160,CHEMBL468852,13000.0,Cc1ccc([C@@]2(F)C[C@@H]2N)cc1 | |
| 1975,CHEMBL3639499,13000.0,c1ccc(C2C[C@@H]2NCc2cccnc2)cc1 | |
| 637,CHEMBL568150,13000.0,O=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1 | |
| 201,CHEMBL561746,13000.0,Cc1ccc(C2(F)CC2N)cc1 | |
| 1594,CHEMBL3297871,13090.0,O=C(SCc1ccco1)c1cc2cc([N+](=O)[O-])ccc2oc1=O | |
| 4103,CHEMBL4854252,13100.0,CCN(CCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1 | |
| 759,CHEMBL1927673,13100.0,Cn1c(=O)c2c(nc(SC3CCCCC3)n2C)n(C)c1=O | |
| 2667,CHEMBL4070797,13100.0,CC(C)N1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1 | |
| 2279,CHEMBL3818089,13100.0,COc1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3)CC2)ccc1O | |
| 74,CHEMBL496279,13120.0,CC1CCCC/C1=N/Nc1nc(-c2ccc(Cl)cc2)cs1 | |
| 371,CHEMBL1242936,13120.0,CC1CCCC/C1=N\Nc1nc(-c2ccc(Cl)cc2)cs1 | |
| 419,CHEMBL1242936,13126.0,CC1CCCC/C1=N\Nc1nc(-c2ccc(Cl)cc2)cs1 | |
| 4888,CHEMBL5590251,13150.0,CC(C)(C)c1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1 | |
| 4783,CHEMBL91,13151.0,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | |
| 2377,CHEMBL2418207,13200.0,Clc1ccccc1-c1nc2ccc(N3CCCCC3)nc2o1 | |
| 3009,CHEMBL4228401,13200.0,COc1cc2sn(CCCCCCN(C)Cc3ccccc3)c(=O)c2cc1OC | |
| 5161,CHEMBL2418207,13200.0,Clc1ccccc1-c1nc2ccc(N3CCCCC3)nc2o1 | |
| 4519,CHEMBL494083,13200.0,CC(C)=CCC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O | |
| 3143,CHEMBL4281727,13200.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(Br)cc3)CC2)cc(C(C)(C)C)c1O | |
| 3825,CHEMBL4759355,13300.0,COc1cc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC(=O)N(c1ccccc1)c1ccccc1 | |
| 4111,CHEMBL4863869,13300.0,COc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2O)cc1 | |
| 540,CHEMBL1761758,13300.0,O=c1oc2ccccc2cc1-c1ccsc1 | |
| 813,CHEMBL3145271,13320.0,Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1cccnc1 | |
| 4584,CHEMBL5270139,13400.0,CC(N)C[Se]c1ccc(F)cc1 | |
| 2474,CHEMBL4062746,13450.0,CCCCC1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21 | |
| 1524,CHEMBL1388493,13460.0,O=C(NCCCN1CCOCC1)c1cc2ccccc2oc1=O | |
| 1739,CHEMBL3407587,13500.0,OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 | |
| 2973,CHEMBL4205833,13500.0,COc1ccc(-c2cc3ccc(C)cc3oc2=O)nn1 | |
| 4236,CHEMBL5188627,13500.0,COc1cc2c(cc1OC)CN(c1ccc(F)cc1)CC2 | |
| 3453,CHEMBL4457307,13500.0,CC(=O)c1ccc(OCCCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 2966,CHEMBL4210287,13540.0,Cc1ccc2oc(=O)c(-c3ccc(Cl)nn3)cc2c1 | |
| 2339,CHEMBL8706,13568.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3311,CHEMBL8706,13568.4,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3119,CHEMBL4285912,13600.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cccc(O)c2[nH]1 | |
| 3926,CHEMBL8706,13600.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1210,CHEMBL2409543,13633.0,C/C(=N\Nc1nc(C)cs1)c1cccnc1 | |
| 461,CHEMBL1253302,13700.0,CNC(=S)N1CCC(c2ccc(OC)cc2)=N1 | |
| 4100,CHEMBL4857021,13700.0,CCN(CCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccc(N(C)C)cc1 | |
| 3011,CHEMBL4228676,13700.0,COc1ccccc1CN(C)CCCCCCn1sc2cc(OC)c(OC)cc2c1=O | |
| 1310,CHEMBL2396876,13710.0,COc1ccc2c(c1)C=C(/C=C/C(=O)c1ccccc1OC)CO2 | |
| 104,CHEMBL470020,13740.0,Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(C)c1 | |
| 2237,CHEMBL3806053,13760.0,O=C1/C(=C/c2ccc[nH]2)COc2ccccc21 | |
| 3417,CHEMBL4554961,13780.0,C#CCOc1ccccc1-c1cc(-c2ccccc2OCC#C)nc(-c2ccccc2)n1 | |
| 3461,CHEMBL4447173,13800.0,CCN(CCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1 | |
| 5134,CHEMBL3651137,13800.0,COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1 | |
| 3361,CHEMBL4530916,13800.0,NCc1ccc(C/N=C2/C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1 | |
| 1947,CHEMBL3651137,13800.0,COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1 | |
| 3456,CHEMBL4438605,13800.0,COc1cc2c(cc1OC)CN(CCCOc1ccc(C(C)=O)c(O)c1)CC2 | |
| 4234,CHEMBL4438605,13800.0,COc1cc2c(cc1OC)CN(CCCOc1ccc(C(C)=O)c(O)c1)CC2 | |
| 3145,CHEMBL4278260,13900.0,CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(C#N)cc3)CC2)cc(C(C)(C)C)c1O | |
| 3754,CHEMBL4632987,13900.0,O=C(/C=C/c1cccc(Br)c1)c1cc(O)c(O)c([N+](=O)[O-])c1 | |
| 1954,CHEMBL3651096,14000.0,Cc1cccc(CN[C@H]2CC2c2ccccc2)n1 | |
| 1904,CHEMBL3651126,14000.0,COc1cc(F)c(CN[C@H]2CC2c2ccccc2)c(F)c1 | |
| 5100,CHEMBL3651096,14000.0,Cc1cccc(CN[C@H]2CC2c2ccccc2)n1 | |
| 5128,CHEMBL3651126,14000.0,COc1cc(F)c(CN[C@H]2CC2c2ccccc2)c(F)c1 | |
| 2353,CHEMBL3905844,14000.0,COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(O)c(CN3CCCCC3)c1)CO2 | |
| 3421,CHEMBL4456862,14010.0,C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)c(OCC)c3)nc(N)n2)cc1 | |
| 3395,CHEMBL4439360,14080.0,Cl.O=C(CCN1CCOCC1)c1cc2cc(Br)c(O)c(Br)c2oc1=O | |
| 3039,CHEMBL4239406,14086.0,C[C@H](Cc1ccc(OCc2ccccc2C#N)cc1)N(C)CC(=O)O | |
| 1205,CHEMBL2402160,14090.0,CN(C)c1ccc(O)c(CNc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)c1 | |
| 3049,CHEMBL4289408,14100.0,Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 | |
| 3367,CHEMBL4441047,14130.0,ClCc1ccc(CNC23OC4C5C6CC(C7C6C4C72)C53)cc1 | |
| 604,CHEMBL1806766,14130.0,CC(C)CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C | |
| 3275,CHEMBL4437755,14159.5,C#CCN1CCC(CCc2ccccc2F)CC1 | |
| 3931,CHEMBL8706,14190.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3437,CHEMBL4434728,14200.0,CC(=O)c1ccc(OCCCCCCCCCCN2CCC(c3ccccc3)CC2)cc1O | |
| 1841,CHEMBL3605355,14200.0,c1ccc2c(c1)c1cnccc1n2CCCCCCCCn1c2ccccc2c2cnccc21 | |
| 1411,CHEMBL3133245,14210.0,COc1cc(/C=C/c2ccc(OCCCCCCN3CCCCC3)cc2)cc(OC)c1 | |
| 3028,CHEMBL4245184,14219.0,C[C@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)N(C)CC(=O)O | |
| 899,CHEMBL2058414,14267.0,CN1C(=N)N/C(=C\c2c[nH]c3c(Br)cccc23)C1=O | |
| 5088,CHEMBL8706,14300.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2706,CHEMBL4062159,14300.0,Cc1ccc(/N=C/c2coc3ccccc3c2=O)c(O)c1 | |
| 1916,CHEMBL8706,14300.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3413,CHEMBL4543829,14440.0,C#CCOc1ccc(-c2cc(-c3ccccc3OCC#C)nc(-c3ccccc3)n2)cc1 | |
| 679,CHEMBL149463,14450.0,CC(=O)c1cc2ccccc2oc1=O | |
| 728,CHEMBL1835227,14470.0,Cc1ccc(-c2cc3cc(OC4CCCC4)ccc3oc2=O)cc1 | |
| 1890,CHEMBL3629470,14500.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3c(OC)cccc3oc2=O)cc1 | |
| 2703,CHEMBL4105296,14500.0,O=c1c(/C=N/c2cccc(Cl)c2O)coc2ccccc12 | |
| 1463,CHEMBL3218163,14530.0,C/C(=N\Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccs1 | |
| 2820,CHEMBL4172923,14574.0,Fc1ccc(-c2csc(N/N=C/c3ccc(N4CCOCC4)cc3)n2)cc1 | |
| 4294,CHEMBL5187434,14600.0,C#CCNC1CCc2ccccc2C1 | |
| 2791,CHEMBL4174265,14600.0,COc1cccc(OCc2ccc(C)cc2)c1 | |
| 1409,CHEMBL3133247,14600.0,COc1cc(/C=C/c2ccc(OCCCCCCN3CCC(O)CC3)cc2)cc(OC)c1 | |
| 1132,CHEMBL2332179,14610.0,COc1ccc(/C=C/C=C/C(=O)c2ccccc2O)cc1OC | |
| 2098,CHEMBL3764762,14700.0,Cc1c(Cl)c(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12 | |
| 1540,CHEMBL3261212,14710.0,CC(C)(C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O | |
| 1507,CHEMBL972,14800.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3922,CHEMBL4778686,14800.0,c1cnc2c(c1)nn1cc(-c3ccsc3)cnc21 | |
| 684,CHEMBL1830808,14810.0,CCOC(=O)c1cc2cccc(O)c2oc1=O | |
| 3455,CHEMBL4450361,14900.0,CCN(CCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1 | |
| 4090,CHEMBL4851339,15000.0,COc1ccc(CNC2CC23CCc2ccccc23)cc1OC | |
| 1404,CHEMBL502,15000.0,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | |
| 5228,CHEMBL5855095,15050.0,c1ccc2cc(C3CC3NC3CCNCC3)ccc2c1 | |
| 5422,CHEMBL5855095,15050.0,c1ccc2cc(C3CC3NC3CCNCC3)ccc2c1 | |
| 5398,CHEMBL5855095,15050.0,c1ccc2cc(C3CC3NC3CCNCC3)ccc2c1 | |
| 3802,CHEMBL4636637,15100.0,COC(=O)C(C)c1ccc(-c2ccc(NCc3nc(C)c(C)nc3C)cc2)c(F)c1 | |
| 2675,CHEMBL4071909,15100.0,CC(=O)c1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1O | |
| 4216,CHEMBL5199817,15140.0,O=C1c2ccccc2-c2nccc3cc(OCCCN4CCN(c5ccccc5Cl)CC4)cc1c23 | |
| 2295,CHEMBL502,15200.0,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | |
| 3447,CHEMBL4513777,15200.0,CC(=O)c1ccc(OCCCCCN2CCc3ccccc3C2)cc1O | |
| 2680,CHEMBL4080179,15200.0,CC(=O)c1ccc(OCCCCN2CCN(c3ncccn3)CC2)cc1O | |
| 1595,CHEMBL3298602,15210.0,O=C(Sc1ccc(Br)cc1)c1cc2cc(C(F)(F)F)ccc2oc1=O | |
| 2070,CHEMBL3740100,15210.0,O=C1COc2cc(OCc3ccccc3)ccc21 | |
| 2878,CHEMBL4217025,15300.0,Oc1ccc(F)cc1/C=N/c1ccc(OCc2ccccc2)cc1 | |
| 1403,CHEMBL3127968,15300.0,C=CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C | |
| 4385,CHEMBL5220267,15340.0,C#CCN1CCN(CCNc2ccc(/C=C3/SC(=O)NC3=O)cc2)CC1 | |
| 2428,CHEMBL3920789,15360.0,NC1CCC(N[C@H]2C[C@]2(F)c2ccccc2)CC1 | |
| 5373,CHEMBL3920789,15360.0,NC1CCC(N[C@H]2C[C@]2(F)c2ccccc2)CC1 | |
| 5285,CHEMBL3920789,15360.0,NC1CCC(N[C@H]2C[C@]2(F)c2ccccc2)CC1 | |
| 5212,CHEMBL3920789,15360.0,NC1CCC(N[C@H]2C[C@]2(F)c2ccccc2)CC1 | |
| 1048,CHEMBL1492484,15390.0,S=C(c1ccc2c(c1)OCO2)N1CCCCC1 | |
| 1321,CHEMBL3093181,15400.0,O=C1/C(=C/c2ccc(Cl)cc2)COc2cc(OCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccc21 | |
| 3735,CHEMBL887,15400.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 682,CHEMBL1411619,15400.0,COc1ccc2cc(C(C)=O)c(=O)oc2c1 | |
| 3215,CHEMBL4473461,15400.0,O=C(/C=C/c1ccc(OCCCCN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(OCCCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 4891,CHEMBL5571604,15450.0,O=C1O[C@H](Cn2ccnn2)CN1c1ccc(N2CCOCC2)c(F)c1 | |
| 2872,CHEMBL4211982,15460.0,Cc1cccc(/C=N/c2ccc(OCc3ccccc3)cc2)c1O | |
| 456,CHEMBL1253262,15470.0,COc1ccc(C2=NN(C(N)=S)CC2)cc1 | |
| 2685,CHEMBL4082669,15500.0,CC(=O)c1ccc(OCCCCCN2CCN(c3ncccn3)CC2)cc1O | |
| 1982,CHEMBL3651119,15500.0,COc1ccccc1CN[C@H]1CC1c1ccccc1 | |
| 5121,CHEMBL3651119,15500.0,COc1ccccc1CN[C@H]1CC1c1ccccc1 | |
| 2787,CHEMBL4162510,15600.0,COc1cccc(OCc2ccc(F)cc2)c1 | |
| 4494,CHEMBL5274181,15600.0,Cc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(-c5ccccc5)cc(=O)c4c3)nn2)cc1 | |
| 4493,CHEMBL5270783,15600.0,O=C(CCCCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)Nc1ccc(F)cc1 | |
| 4505,CHEMBL5275592,15600.0,O=C(NCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)c1ccc(Cl)cc1 | |
| 4492,CHEMBL5284016,15600.0,O=C(CCCCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)Nc1ccccc1 | |
| 4509,CHEMBL5266055,15600.0,O=C(CCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)Nc1ccccc1 | |
| 4508,CHEMBL5275566,15600.0,Cc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(-c5ccccc5)cc(=O)c4c3)nn2)cc1 | |
| 4507,CHEMBL5279254,15600.0,O=C(NCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)c1ccccc1 | |
| 4510,CHEMBL5274447,15600.0,O=C(CCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)Nc1ccc(F)cc1 | |
| 4491,CHEMBL5267147,15600.0,O=C(CCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)Nc1ccc(Cl)cc1 | |
| 4506,CHEMBL5274866,15600.0,Cc1ccc(C(=O)NCc2cn(Cc3ccc4oc(-c5ccccc5)cc(=O)c4c3)nn2)cc1 | |
| 5171,CHEMBL3908858,15700.0,CNc1ccc2nc(-c3ccccc3)sc2n1 | |
| 2387,CHEMBL3908858,15700.0,CNc1ccc2nc(-c3ccccc3)sc2n1 | |
| 3451,CHEMBL4577772,15700.0,COc1cc2c(cc1OC)CN(CCCCOc1ccc(C(C)=O)c(O)c1)CC2 | |
| 3420,CHEMBL4567714,15710.0,C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)c(OC)c3)nc(-c3ccccc3)n2)cc1 | |
| 2785,CHEMBL4165948,15800.0,COc1cccc(OCc2ccccc2)c1 | |
| 3445,CHEMBL4440788,15800.0,CC(=O)c1ccc(OCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 3812,CHEMBL4762548,15900.0,CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)c(OC)c1 | |
| 2678,CHEMBL4088328,15900.0,CC(=O)c1ccc(OCCCCN2CCN(Cc3ccccc3)CC2)cc1O | |
| 600,CHEMBL1806757,15915.0,Cn1c(=O)c2c(nc(OCC3CCCC3)n2C)n(C)c1=O | |
| 1431,CHEMBL3218131,15960.0,CCCCC/C(C)=N\Nc1nc(-c2ccc3ccccc3c2)cs1 | |
| 5102,CHEMBL3651099,16000.0,Fc1cccc(CN[C@H]2CC2c2ccccc2)c1 | |
| 1936,CHEMBL3651099,16000.0,Fc1cccc(CN[C@H]2CC2c2ccccc2)c1 | |
| 1590,CHEMBL3297794,16010.0,CCCCSC(=O)c1cc2ccccc2oc1=O | |
| 623,CHEMBL1823802,16060.0,Cc1cc(CC2SC(=O)NC2=O)cc(C)c1O | |
| 1672,CHEMBL3394514,16090.0,Cc1ccc(C2=NN(C(=O)Cn3ccnc3)C(c3cc(Cl)ccc3O)C2)cc1 | |
| 3454,CHEMBL4473610,16100.0,CCN(CC)CCCOc1ccc(C(C)=O)c(O)c1 | |
| 3549,CHEMBL4470661,16100.0,CCc1ccc(O)c2c1C[C@@H](C)OC2=O | |
| 4012,CHEMBL4866427,16130.0,C#CCNC1CCc2c(SCCc3ccc(C(F)(F)F)cc3)cccc21 | |
| 1420,CHEMBL3133307,16190.0,COc1cc(/C=C/c2ccc(OCCCCCN(C)Cc3ccccc3)cc2)cc(OC)c1 | |
| 4600,CHEMBL5438522,16270.0,C=CC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12 | |
| 1410,CHEMBL3133246,16290.0,COc1cc(/C=C/c2ccc(OCCCCCCN3CCCCC3C)cc2)cc(OC)c1 | |
| 3816,CHEMBL4747710,16300.0,CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCCCC2)cc1OC | |
| 3800,CHEMBL4643921,16300.0,COC(=O)C(C)c1ccc(-c2ccc(NCc3cc(NC(C)=O)ccc3O)cc2)c(F)c1 | |
| 2373,CHEMBL3933437,16300.0,Clc1cccc(-c2nc3ccc(N4CCCC4)nc3o2)c1 | |
| 5157,CHEMBL3933437,16300.0,Clc1cccc(-c2nc3ccc(N4CCCC4)nc3o2)c1 | |
| 285,CHEMBL1080446,16330.0,NC(=S)N1N=C(c2ccc(Cl)cc2)CC1c1ccc(F)cc1 | |
| 3072,CHEMBL4295009,16400.0,CN1CCN(CCCCOc2ccc(/C=C3\COc4ccccc4C3=O)cc2)CC1 | |
| 3580,CHEMBL4515085,16400.0,Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3cnc(CN)s3)c2)cc1 | |
| 3053,CHEMBL4278916,16520.0,C#CCn1ccc2cc(OC(=O)N(CC)CC)ccc21 | |
| 177,CHEMBL504356,16530.0,COc1c2occc2cc2cc(N)c(=O)oc12 | |
| 120,CHEMBL470612,16540.0,N#Cc1c(F)c(F)c(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)c(F)c1F | |
| 3801,CHEMBL4648532,16600.0,COC(=O)C(C)c1ccc(-c2ccc(NCc3ccccn3)cc2)c(F)c1 | |
| 3450,CHEMBL4542187,16600.0,CCN(CCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1 | |
| 1307,CHEMBL2396879,16670.0,COc1cc(OC)cc(C(=O)/C=C/C2=Cc3cc(Br)ccc3OC2)c1 | |
| 3457,CHEMBL4465978,16700.0,CC(=O)c1ccc(OCCCN2CCc3ccccc3C2)cc1O | |
| 3818,CHEMBL4756176,16700.0,COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC(=O)N(C)C | |
| 2684,CHEMBL4067550,16700.0,CC(=O)c1ccc(OCCCCCN2CCN(c3ccccn3)CC2)cc1O | |
| 4581,CHEMBL5285077,16700.0,Cc1ccccc1[Se]CC(C)N | |
| 886,CHEMBL2058423,16767.0,C/N=C1/N/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1C | |
| 462,CHEMBL1253303,16770.0,CNC(=S)N1CCC(c2ccc(C)cc2)=N1 | |
| 766,CHEMBL1927683,16800.0,CN(CCc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C | |
| 535,CHEMBL1521156,16800.0,Nc1ccc(Oc2ccc(Cl)cc2)cc1 | |
| 3211,CHEMBL4538061,16800.0,O=C(/C=C/c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 1807,CHEMBL3416427,16810.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 | |
| 588,CHEMBL1777849,16870.0,O=c1oc2c(O)cc(Br)cc2cc1-c1ccc(O)cc1 | |
| 5238,CHEMBL6004482,16930.0,O=S1(=O)CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 5408,CHEMBL6004482,16930.0,O=S1(=O)CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 5432,CHEMBL6004482,16930.0,O=S1(=O)CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 3583,CHEMBL4573381,17000.0,Cc1ccc(-c2cccc(S(=O)(=O)c3cnc(CN)s3)c2)cc1.Cl | |
| 2856,CHEMBL4216610,17000.0,Oc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1 | |
| 2865,CHEMBL4210376,17000.0,Oc1c(Cl)cc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1Cl | |
| 2531,CHEMBL4103245,17000.0,O=C1CCc2ccc(OCCCCCN3CCCCC3)cc2N1 | |
| 202,CHEMBL126,17000.0,CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | |
| 5099,CHEMBL3651095,17000.0,c1ccc(C2C[C@@H]2NCc2ccncc2)cc1 | |
| 5446,CHEMBL4597447,17000.0,Cc1ccc(-c2cccc(S(=O)(=O)c3cnc(CN)s3)c2)cc1 | |
| 1909,CHEMBL3651095,17000.0,c1ccc(C2C[C@@H]2NCc2ccncc2)cc1 | |
| 1283,CHEMBL2426044,17000.0,C#CCNCCCOc1cccc(C(=O)NC(C)C)c1 | |
| 5511,CHEMBL4597447,17000.0,Cc1ccc(-c2cccc(S(=O)(=O)c3cnc(CN)s3)c2)cc1 | |
| 5471,CHEMBL4597447,17000.0,Cc1ccc(-c2cccc(S(=O)(=O)c3cnc(CN)s3)c2)cc1 | |
| 5374,CHEMBL4109558,17130.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3cccc(N4CCNCC4)c3)cc2)CC1 | |
| 5213,CHEMBL4109558,17130.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3cccc(N4CCNCC4)c3)cc2)CC1 | |
| 5286,CHEMBL4109558,17130.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3cccc(N4CCNCC4)c3)cc2)CC1 | |
| 2429,CHEMBL4109558,17130.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3cccc(N4CCNCC4)c3)cc2)CC1 | |
| 3562,CHEMBL4569728,17170.0,O=C1Cc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2N1 | |
| 3208,CHEMBL4575664,17200.0,O=C(/C=C/c1ccc(OCCN2CCCCC2)cc1)c1ccc(OCCN2CCCCC2)cc1O | |
| 3186,CHEMBL4575015,17200.0,N#Cc1ccc(C2=NCCN2c2cnccn2)cc1 | |
| 3438,CHEMBL4582111,17300.0,CC(=O)c1ccc(OCCCCCCCCCCN2CCN(Cc3ccccc3)CC2)cc1O | |
| 185,CHEMBL488073,17300.0,CC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 | |
| 4611,CHEMBL5436440,17340.0,Cc1cc(=O)oc2c(NC(=O)c3ccco3)c(O)ccc12 | |
| 1583,CHEMBL3261213,17440.0,CCC(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O | |
| 687,CHEMBL1830811,17510.0,CCOC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O | |
| 762,CHEMBL1927677,17600.0,Cn1c(=O)c2c(nc(NCCc3ccccc3)n2C)n(C)c1=O | |
| 2822,CHEMBL4169527,17615.0,Fc1ccc(-c2csc(N/N=C/c3ccc(N4CCOCC4)cc3)n2)c(F)c1 | |
| 2972,CHEMBL4202589,17620.0,COc1ccc(-c2cc3cc(C)ccc3oc2=O)nn1 | |
| 3829,CHEMBL4790953,17680.0,O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2ccccc2c1=O | |
| 3410,CHEMBL4472217,17690.0,C#CCOc1ccc(-c2cc(-c3cccc(OCC#C)c3)nc(-c3ccccc3)n2)cc1 | |
| 681,CHEMBL1830795,17720.0,CC(=O)c1cc2cc(Cl)ccc2oc1=O | |
| 5045,CHEMBL5647192,17740.0,C#CCOc1ccc(-c2cc(=O)c3c(Cl)cc(OC)cc3o2)cc1 | |
| 686,CHEMBL1830824,17780.0,O=C(O)c1cc2cc(I)cc(I)c2oc1=O | |
| 2699,CHEMBL4091051,17800.0,O=C1C=CC(=O)C(C2CCCC2)=C1 | |
| 927,CHEMBL2088313,17900.0,Cc1cccc(SCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | |
| 688,CHEMBL1830800,17970.0,O=C(c1ccccc1)c1cc2cc(O)ccc2oc1=O | |
| 2519,CHEMBL4078101,18000.0,O=C1CCc2ccc(OCCCN3CCN(c4ccccn4)CC3)cc2N1 | |
| 1491,CHEMBL3219620,18000.0,Nc1ccc(NCc2ccccn2)cc1 | |
| 157,CHEMBL468854,18000.0,COc1ccc([C@@]2(F)C[C@H]2N)cc1 | |
| 5450,CHEMBL5845060,18010.0,O=C(CCC1CCCCC1)N1CCC(F)(CNC2CC2c2ccccc2)CC1 | |
| 2849,CHEMBL4177430,18010.0,C#CCNC1CCc2c(OCCCOc3cccc(I)c3)cccc21 | |
| 4382,CHEMBL5219831,18070.0,O=C1NC(=O)/C(=C\c2ccc(OCCN3CCN(Cc4ccccc4)CC3)cc2)S1 | |
| 693,CHEMBL379350,18070.0,CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1 | |
| 3412,CHEMBL4446207,18070.0,C#CCOc1ccc(-c2cc(-c3ccccc3OCC#C)nc(C)n2)cc1 | |
| 3393,CHEMBL4463853,18110.0,COc1ccc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1.Cl | |
| 1102,CHEMBL2333931,18110.0,C#CCN(CCCCCCNc1c2c(nc3ccccc13)CCCC2)[C@H](C)Cc1ccc(OC)cc1 | |
| 457,CHEMBL1253263,18140.0,Cc1ccc(C2=NN(C(N)=S)CC2)cc1 | |
| 5119,CHEMBL3651117,18200.0,C1=Nc2ccccc2C1CN[C@H]1CC1c1ccccc1 | |
| 3080,CHEMBL4285710,18200.0,CCN(CC)CCCOc1cccc(/C=C2\COc3ccccc3C2=O)c1 | |
| 1948,CHEMBL3651117,18200.0,C1=Nc2ccccc2C1CN[C@H]1CC1c1ccccc1 | |
| 282,CHEMBL1080706,18260.0,Cc1ccc(C2=NN(C(N)=S)C(c3cccs3)C2)cc1 | |
| 105,CHEMBL511967,18270.0,Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1C | |
| 2542,CHEMBL4099350,18300.0,O=C1CCc2ccc(OCCCCCCN3CCC(N4CCCC4)CC3)cc2N1 | |
| 1311,CHEMBL2396880,18300.0,COc1cc(/C=C/C(=O)C2=Cc3cc(OC)ccc3OC2)cc(OC)c1 | |
| 2256,CHEMBL3805904,18330.0,Nc1ncc(/C=C2\COc3ccccc3C2=O)cn1 | |
| 2418,CHEMBL4110665,18350.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(C3CC3)cc2)CC1 | |
| 5202,CHEMBL4110665,18350.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(C3CC3)cc2)CC1 | |
| 5363,CHEMBL4110665,18350.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(C3CC3)cc2)CC1 | |
| 5275,CHEMBL4110665,18350.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(C3CC3)cc2)CC1 | |
| 929,CHEMBL2088315,18400.0,CCOc1cccc(SCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | |
| 3184,CHEMBL4517523,18400.0,Br.c1ccc(-n2cc(C3=NCCN3)c(-c3cccs3)n2)cc1 | |
| 2562,CHEMBL4065952,18489.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3cccc(OC)c3OC)cc2)nc2ccccc21 | |
| 3224,CHEMBL4443141,18500.0,O=C(/C=C/c1ccc(OCCCCCCN2CCCC2)cc1)c1ccccc1O | |
| 1017,CHEMBL2177457,18550.0,CCN(CC)c1ccc(/C=C2\Cc3cc(OC)c(O)cc3C2=O)cc1.Cl | |
| 1558,CHEMBL193373,18600.0,O=C1CCCc2ccccc21 | |
| 2517,CHEMBL4062293,18600.0,CCN(CC)CCCOc1ccc2c(c1)NC(=O)CC2 | |
| 5236,CHEMBL5989800,18690.0,Brc1ccc([C@H]2C[C@@H]2NC2CCOCC2)cc1 | |
| 5430,CHEMBL5989800,18690.0,Brc1ccc([C@H]2C[C@@H]2NC2CCOCC2)cc1 | |
| 5406,CHEMBL5989800,18690.0,Brc1ccc([C@H]2C[C@@H]2NC2CCOCC2)cc1 | |
| 3459,CHEMBL4572109,18700.0,CC(=O)c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 325,CHEMBL326294,18750.0,O=C1Nc2ccccc2C1=O | |
| 1486,CHEMBL326294,18750.0,O=C1Nc2ccccc2C1=O | |
| 369,CHEMBL326294,18750.0,O=C1Nc2ccccc2C1=O | |
| 965,CHEMBL326294,18750.0,O=C1Nc2ccccc2C1=O | |
| 1517,CHEMBL326294,18750.0,O=C1Nc2ccccc2C1=O | |
| 691,CHEMBL326294,18750.0,O=C1Nc2ccccc2C1=O | |
| 295,CHEMBL326294,18750.0,O=C1Nc2ccccc2C1=O | |
| 400,CHEMBL326294,18754.0,O=C1Nc2ccccc2C1=O | |
| 150,CHEMBL450771,18760.0,CC(C)=CCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1 | |
| 3008,CHEMBL4227568,18800.0,CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccc(N(C)C)cc1 | |
| 2522,CHEMBL4087905,18800.0,O=C1CCc2ccc(OCCCN3CCc4ccccc4C3)cc2N1 | |
| 389,CHEMBL1254471,18820.0,Cc1cc2cc(NC(=O)/C=C/c3ccccc3)ccc2[nH]1 | |
| 848,CHEMBL2029542,18990.0,CN(C)C(=O)c1ccc(OC/C(F)=C\CN)cc1 | |
| 44,CHEMBL542118,19000.0,Cl.NC1CC1c1ccccc1 | |
| 18,CHEMBL304241,19000.0,CC(=O)N1N=C(c2ccc(O)cc2)CC1c1cccc(C)c1 | |
| 1712,CHEMBL3401327,19000.0,Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 | |
| 152,CHEMBL1179,19000.0,N[C@@H]1C[C@H]1c1ccccc1 | |
| 203,CHEMBL554831,19000.0,NC1CC1(F)c1ccccc1 | |
| 167,CHEMBL466769,19000.0,N[C@@H]1C[C@]1(F)c1ccccc1 | |
| 169,CHEMBL467794,19000.0,N[C@@H]1C[C@@H]1c1ccccc1 | |
| 1541,CHEMBL3261213,19060.0,CCC(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O | |
| 102,CHEMBL469818,19070.0,Cc1cccc(Cl)c1NC(=O)c1cc2ccccc2oc1=O | |
| 2883,CHEMBL4204543,19150.0,Oc1ccc2ccccc2c1/C=N/c1ccc(OCc2ccccc2)cc1 | |
| 3278,CHEMBL4563067,19162.8,C#CCN1CCC(/C=C\c2ccc(C)cc2)CC1 | |
| 1804,CHEMBL3416431,19170.0,Cl.N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 | |
| 2970,CHEMBL4218157,19170.0,COc1ccc2cc(-c3ccc(Cl)nn3)c(=O)oc2c1 | |
| 2520,CHEMBL4096153,19200.0,O=C1CCc2ccc(OCCCN3CCC(N4CCCC4)CC3)cc2N1 | |
| 2705,CHEMBL4063972,19200.0,O=c1c(/C=N/c2cc(Cl)ccc2O)coc2ccccc12 | |
| 3006,CHEMBL4226833,19200.0,COc1ccccc1CN(C)CCCCn1sc2cc(OC)c(OC)cc2c1=O | |
| 2788,CHEMBL4173198,19300.0,COc1cccc(OCc2cccc(Br)c2)c1 | |
| 667,CHEMBL1823549,19360.0,CC(=O)N1N=C(c2ccccc2)OC1c1ccc(C)cc1 | |
| 661,CHEMBL1823549,19360.0,CC(=O)N1N=C(c2ccccc2)OC1c1ccc(C)cc1 | |
| 3007,CHEMBL4226245,19400.0,CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1OC | |
| 764,CHEMBL1927680,19400.0,Cn1c(=O)c2c(nc(NCCc3ccccn3)n2C)n(C)c1=O | |
| 3440,CHEMBL4463319,19400.0,CC(=O)c1ccc(OCCCCCCCCCN2CCc3ccccc3C2)cc1O | |
| 3832,CHEMBL4793623,19460.0,Cc1ccc2occ(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1 | |
| 293,CHEMBL972,19600.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 323,CHEMBL972,19600.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3938,CHEMBL4780719,19600.0,O=c1ccoc2ccc(OCCCCN3CCCC3)cc12 | |
| 3012,CHEMBL4228589,19600.0,CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1N(C)C | |
| 343,CHEMBL972,19600.0,C#CCN(C)[C@H](C)Cc1ccccc1 | |
| 3004,CHEMBL4227620,19700.0,COc1cc2sn(CCCCN(C)Cc3ccccc3)c(=O)c2cc1OC | |
| 3738,CHEMBL4648339,19700.0,CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C=O)c1C | |
| 3835,CHEMBL4757560,19730.0,O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2cc(Br)ccc2c1=O | |
| 1318,CHEMBL3093168,19730.0,COc1ccc(/C=C2\COc3cc(OCCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)cc1OC | |
| 3458,CHEMBL4467682,19800.0,CC(=O)c1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1O | |
| 5489,CHEMBL5775295,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(C(=O)NCC(F)(F)F)(CC2)CC3)cc1 | |
| 5506,CHEMBL5895179,20000.0,CC(CN1C(=O)CCC1(C)C)CS(=O)(=O)c1ccc(OC/C(=C/F)CN)cc1 | |
| 5508,CHEMBL5780209,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CN2CCCCC2=O)cc1 | |
| 5507,CHEMBL5760524,20000.0,CC1(C)CC(=O)N(CS(=O)(=O)c2ccc(OC/C(=C/F)CN)cc2)C1 | |
| 5475,CHEMBL5918877,20000.0,N#CC1(CS(=O)(=O)c2ccc(OC/C(=C/F)CN)cc2F)CCOCC1 | |
| 5488,CHEMBL5891598,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(C(=O)NC4CCC4)(CC2)CC3)cc1 | |
| 5497,CHEMBL5895406,20000.0,CC1CCN(C23CCC(CS(=O)(=O)c4ccc(OC/C(=C/F)CN)cc4)(CC2)CC3)C1=O | |
| 5509,CHEMBL5772296,20000.0,CC(C)(C)C(=O)NC12CCC(CS(=O)(=O)c3ccc(OC/C(=C/F)CN)cc3)(CC1)C2 | |
| 5479,CHEMBL5760329,20000.0,CO[C@H]1CC[C@@H](CS(=O)(=O)c2ccc(OC/C(=C/F)CN)cc2)CC1 | |
| 5484,CHEMBL5869849,20000.0,CC1(CS(=O)(=O)c2ccc(OC/C(=C/F)CN)cc2)CCN(C(=O)C2(C(F)(F)F)CC2)CC1 | |
| 5482,CHEMBL5845697,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)COCC2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)cc1 | |
| 5483,CHEMBL5869743,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 | |
| 5474,CHEMBL5828442,20000.0,CC1(C)CO[C@@H](CS(=O)(=O)c2ccc(OC/C(=C/F)CN)cc2)CO1 | |
| 5473,CHEMBL5886041,20000.0,CC1(C)CO[C@H](CS(=O)(=O)c2ccc(OC/C(=C/F)CN)cc2)CO1 | |
| 204,CHEMBL3989843,20000.0,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| 4308,CHEMBL5180307,20000.0,O=C1CSc2cc(O)ccc2N1 | |
| 153,CHEMBL511601,20000.0,N[C@]1(c2ccccc2)C[C@]1(F)c1ccccc1 | |
| 5505,CHEMBL6032166,20000.0,CCN(CC(C)(C)CS(=O)(=O)c1ccc(OC/C(=C/F)CN)cc1)C(=O)C(C)C | |
| 5504,CHEMBL5973948,20000.0,CC(C)C(=O)N(C)CC(C)(C)CS(=O)(=O)c1ccc(OC/C(=C/F)CN)cc1 | |
| 5486,CHEMBL5848507,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(C(=O)N4CCCC4)(CC2)CC3)cc1 | |
| 5485,CHEMBL5999718,20000.0,CC1(CS(=O)(=O)c2ccc(OC/C(=C/F)CN)cc2)CCN(C(=O)C2(C)CCC2)CC1 | |
| 5476,CHEMBL5782023,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)C[C@H]2CC[C@H](O)CC2)cc1 | |
| 5477,CHEMBL5817720,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(O)(CC2)CC3)cc1 | |
| 5478,CHEMBL5779845,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(C4(O)CC4)(CC2)CC3)cc1 | |
| 5481,CHEMBL5747879,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)COCC2CCOCC2)cc1 | |
| 5498,CHEMBL6008605,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(NC(=O)C4CC4(F)F)(CC2)CC3)cc1 | |
| 5499,CHEMBL5928392,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(NC(=O)C4(C(F)(F)F)CC4)(CC2)CC3)cc1 | |
| 5480,CHEMBL6041881,20000.0,COCS(=O)(=O)c1ccc(OC/C(=C/F)CN)cc1 | |
| 5500,CHEMBL6029123,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CCC3)c(C(F)(F)F)c2)cc1 | |
| 5487,CHEMBL6018169,20000.0,CN(C)C(=O)C12CCC(CS(=O)(=O)c3ccc(OC/C(=C/F)CN)cc3)(CC1)CC2 | |
| 1771,CHEMBL3415807,20000.0,C#CCNCC(=C)c1ccccc1.Cl | |
| 5065,CHEMBL3786182,20000.0,O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 | |
| 20,CHEMBL65252,20000.0,COc1ccc(C2CC(c3ccc(O)cc3)=NN2C(C)=O)c(OC)c1 | |
| 5492,CHEMBL5954455,20000.0,CC(C)(C)NC(=O)C12CCC(CS(=O)(=O)c3ccc(OC/C(=C/F)CN)cc3)(CC1)CC2 | |
| 5491,CHEMBL6007518,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(C(=O)NC4CC(F)(F)C4)(CC2)CC3)cc1 | |
| 5490,CHEMBL6010887,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(C(=O)NCC4CC4)(CC2)CC3)cc1 | |
| 5493,CHEMBL6053270,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(C(=O)N4CCC4)(CC2)CC3)cc1 | |
| 5496,CHEMBL5939663,20000.0,CC(C)C(=O)NC12CCC(CS(=O)(=O)c3ccc(OC/C(=C/F)CN)cc3)(CC1)CC2 | |
| 5495,CHEMBL5840199,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(NC(=O)C4CC4)(CC2)CC3)cc1 | |
| 5494,CHEMBL5891545,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(C(=O)NC4CC4)(CC2)CC3)cc1 | |
| 5503,CHEMBL6027963,20000.0,NC/C(=C\F)COc1ccc(S(=O)(=O)CC23CCC(NC(=O)C4CCC4)(CC2)CC3)cc1 | |
| 5501,CHEMBL5871790,20000.0,CC(C)(C)C(=O)NC12CCC(CS(=O)(=O)c3ccc(OC/C(=C/F)CN)cc3)(CC1)CC2 | |
| 5502,CHEMBL5772011,20000.0,CC1(C(=O)NC23CCC(CS(=O)(=O)c4ccc(OC/C(=C/F)CN)cc4)(CC2)CC3)CC1 | |
| 1891,CHEMBL3629471,20010.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3cccc(C)c3oc2=O)cc1 | |
| 3844,CHEMBL4286799,20030.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 | |
| 3418,CHEMBL4454141,20030.0,C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)c(OC)c3)nc(N)n2)cc1 | |
| 1682,CHEMBL3394540,20080.0,Cc1cc(=O)oc2cc(NCc3ccccc3O)ccc12 | |
| 1246,CHEMBL2417770,20080.0,Cc1ccccc1C1CC(c2ccc(O)cc2)=NN1C | |
| 3005,CHEMBL4225991,20100.0,CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1 | |
| 3010,CHEMBL4224820,20100.0,CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1 | |
| 3392,CHEMBL4571403,20120.0,COc1ccc2cc(C(=O)CCN3CCCCC3)c(=O)oc2c1.Cl | |
| 1531,CHEMBL3261202,20170.0,COc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O | |
| 2238,CHEMBL3806027,20200.0,O=C1/C(=C/c2c[nH]cn2)COc2ccccc21 | |
| 3569,CHEMBL8706,20270.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 4023,CHEMBL8706,20270.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2534,CHEMBL4086828,20300.0,O=C1CCc2ccc(OCCCCCN3CCN(c4ccccn4)CC3)cc2N1 | |
| 3252,CHEMBL8706,20300.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3525,CHEMBL4558443,20350.0,Fc1ccc([C@@H]2C[C@H]2NC[C@H]2CC[C@H](Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1F | |
| 2072,CHEMBL3740394,20510.0,O=C1COc2cc(OCCCc3ccccc3)ccc21 | |
| 558,CHEMBL1766613,20690.0,COc1cc(/C=C2\COc3ccccc3C2=O)cc(OC)c1OC | |
| 2689,CHEMBL4087146,20700.0,CC(=O)c1ccc(OCCCCCCN2CCN(c3ccccn3)CC2)cc1O | |
| 865,CHEMBL2058705,20700.0,C/N=C1\NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | |
| 1593,CHEMBL3297870,20710.0,O=C(Sc1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O | |
| 5423,CHEMBL5818855,20790.0,c1ccc([C@H]2C[C@@H]2NCC2CCNC2)cc1 | |
| 5399,CHEMBL5818855,20790.0,c1ccc([C@H]2C[C@@H]2NCC2CCNC2)cc1 | |
| 5229,CHEMBL5818855,20790.0,c1ccc([C@H]2C[C@@H]2NCC2CCNC2)cc1 | |
| 2931,CHEMBL8706,20800.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1851,CHEMBL3605365,20800.0,CCC[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](CCC)ccc21.[I-].[I-] | |
| 3448,CHEMBL4592043,20800.0,CC(=O)c1ccc(OCCCCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 4112,CHEMBL8706,20800.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 760,CHEMBL1927674,20900.0,Cn1c(=O)c2c(nc(SC3CCCC3)n2C)n(C)c1=O | |
| 2762,CHEMBL4164321,20900.0,CN1c2c(nn(-c3ccc(/C=N/NC(=S)Nc4cccc(Cl)c4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O | |
| 3543,CHEMBL4593138,21000.0,Cc1cc(-c2ccc(N)cc2)c(O)c2c1C[C@@H](C)OC2=O | |
| 4426,CHEMBL5267972,21000.0,COc1ccc2[nH]cc(CCNC(=O)CN(CCCCC3CCN(Cc4ccccc4)CC3)C(=O)c3cc(=O)c4ccccc4o3)c2c1 | |
| 1123,CHEMBL326294,21070.0,O=C1Nc2ccccc2C1=O | |
| 3419,CHEMBL4450296,21080.0,C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)c(OC)c3)nc(C)n2)cc1 | |
| 3391,CHEMBL4466943,21100.0,COc1ccc2cc(C(=O)CCN(C)C)c(=O)oc2c1.Cl | |
| 1803,CHEMBL3416432,21200.0,Cl.N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 | |
| 3038,CHEMBL4245697,21267.0,C[C@H](Cc1ccc(OCc2cccc(C#N)c2)cc1)N(C)CC(=O)O | |
| 1741,CHEMBL3407585,21300.0,C=CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 | |
| 3808,CHEMBL4750360,21300.0,CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1 | |
| 4585,CHEMBL5280535,21300.0,CC(N)C[Se]c1ccc(N(C)C)cc1 | |
| 2719,CHEMBL4062468,21400.0,Cc1ccc(/N=C/c2coc3ccc(C)cc3c2=O)c(O)c1 | |
| 2048,CHEMBL3739915,21450.0,O=C1CCOc2cc(OCCCc3ccccc3)ccc21 | |
| 2475,CHEMBL4104567,21500.0,CCCCCC1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21 | |
| 1532,CHEMBL3261203,21550.0,Cc1cccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)c1 | |
| 130,CHEMBL519678,21560.0,COc1cc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc(OC)c1 | |
| 553,CHEMBL1766620,21590.0,COc1ccc(Cc2coc3ccccc3c2=O)cc1 | |
| 5131,CHEMBL3651134,21600.0,COc1ccc(CN[C@H]2CC2c2ccccc2)cc1C | |
| 3207,CHEMBL4476735,21600.0,O=C(/C=C/c1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 3441,CHEMBL4524259,21600.0,CC(=O)c1ccc(OCCCCCCCCCN2CCN(Cc3ccccc3)CC2)cc1O | |
| 1934,CHEMBL3651134,21600.0,COc1ccc(CN[C@H]2CC2c2ccccc2)cc1C | |
| 3439,CHEMBL4519989,21600.0,CC(=O)c1ccc(OCCCCCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 689,CHEMBL1830810,21630.0,CCOC(=O)c1cc2cc(OC)ccc2oc1=O | |
| 4384,CHEMBL5218996,21670.0,C#CCN1CCN(CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)CC1 | |
| 3814,CHEMBL4756054,21800.0,COc1cc(/C=C/C(=O)N2CCCCC2)ccc1OC(=O)N(c1ccccc1)c1ccccc1 | |
| 2521,CHEMBL4059592,21800.0,O=C1CCc2ccc(OCCCN3CCN(Cc4ccccc4)CC3)cc2N1 | |
| 347,CHEMBL1243212,21900.0,CC1CCC/C(=N/Nc2nc(-c3ccc(Cl)cc3)cs2)C1 | |
| 4641,CHEMBL1089,21900.0,NNCCc1ccccc1 | |
| 4280,CHEMBL40275,21900.0,O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21 | |
| 3524,CHEMBL4550942,21980.0,FC(F)(F)Cc1cc2c(N[C@H]3CC[C@H](CN[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1 | |
| 640,CHEMBL1823814,22000.0,O=C(/C=C1/SC(=O)NC1=O)Nc1ccccc1 | |
| 205,CHEMBL557213,22000.0,CCNC(=S)N1N=C(c2ccc(OC)cc2)CC1c1cccs1 | |
| 336,CHEMBL1222283,22000.0,O=C(CC1SC(=O)NC1=O)Nc1ccccc1 | |
| 3026,CHEMBL4249803,22044.0,C[C@H](Cc1ccc(OCc2ccncc2)cc1)N(C)CC(=O)O | |
| 4383,CHEMBL5219449,22090.0,O=C1NC(=O)/C(=C\c2ccc(NCCN3CCN(Cc4ccccc4)CC3)cc2)S1 | |
| 3414,CHEMBL4455630,22090.0,C#CCOc1cccc(-c2cc(-c3cccc(OCC#C)c3)nc(N)n2)c1 | |
| 3443,CHEMBL4533011,22100.0,CCN(CC)CCCCCCOc1ccc(C(C)=O)c(O)c1 | |
| 3411,CHEMBL4449439,22120.0,C#CCOc1ccc(-c2cc(-c3ccccc3OCC#C)nc(N)n2)cc1 | |
| 5458,CHEMBL5951483,22140.0,FC1(CNC2CC2c2ccccc2)CCN(c2ccccc2)CC1 | |
| 3449,CHEMBL4460654,22200.0,CCN(CC)CCCCOc1ccc(C(C)=O)c(O)c1 | |
| 4032,CHEMBL4877328,22270.0,C#CCNC1CCc2c(SCc3ccc(Cl)cc3Cl)cccc21 | |
| 1372,CHEMBL3113647,22300.0,CCCOc1ccc2oc(=O)c(CN3CCCC3)cc2c1 | |
| 926,CHEMBL2088312,22300.0,Cn1c(=O)c2c(nc(CSc3cccc(F)c3)n2C)n(C)c1=O | |
| 1897,CHEMBL3629467,22350.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3cccc(OC)c3oc2=O)cc1 | |
| 103,CHEMBL511966,22450.0,Cc1ccc(C)c(NC(=O)c2cc3ccccc3oc2=O)c1 | |
| 3071,CHEMBL4292421,22700.0,CN1CCN(CCCOc2ccc(/C=C3\COc4ccccc4C3=O)cc2)CC1 | |
| 2968,CHEMBL4205924,22710.0,Cc1cccc2cc(-c3ccc(Cl)nn3)c(=O)oc12 | |
| 3463,CHEMBL4458892,22800.0,CC(=O)c1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 1538,CHEMBL3261210,22800.0,O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O | |
| 3833,CHEMBL4749888,22820.0,O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2ccc(Br)cc2c1=O | |
| 1468,CHEMBL3219195,22900.0,C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1cccc2ccccc12 | |
| 5468,CHEMBL5934359,23000.0,Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)sc2C)s1 | |
| 5249,CHEMBL5934359,23000.0,Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)sc2C)s1 | |
| 5298,CHEMBL5934359,23000.0,Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)sc2C)s1 | |
| 4260,CHEMBL502,23000.0,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | |
| 5307,CHEMBL5934359,23000.0,Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)sc2C)s1 | |
| 5316,CHEMBL5934359,23000.0,Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)sc2C)s1 | |
| 5386,CHEMBL5928124,23000.0,Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)sc2C)s1 | |
| 5443,CHEMBL5934359,23000.0,Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)sc2C)s1 | |
| 1850,CHEMBL3605364,23100.0,OCC[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](CCO)ccc21.[I-].[I-] | |
| 2697,CHEMBL4100724,23200.0,O=C1C=CC(=O)C(Cc2ccccc2)=C1 | |
| 3819,CHEMBL4740081,23200.0,CCN(CC)C(=O)Oc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC | |
| 283,CHEMBL1080707,23210.0,NC(=S)N1N=C(c2ccc(F)cc2)CC1c1cccs1 | |
| 4000,CHEMBL4857349,23270.0,C#CCNC1CCc2c(SCc3cccc(Cl)c3)cccc21 | |
| 923,CHEMBL2088309,23400.0,Cn1c(=O)c2c(nc(CSc3ccccc3)n2C)n(C)c1=O | |
| 4,CHEMBL160347,23400.0,COc1cc(Br)c2oc(C3CCNCC3)cc2c1 | |
| 3436,CHEMBL4562783,23400.0,CCN(CCCCCCCCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1 | |
| 2097,CHEMBL3764609,23400.0,Cc1c(C)c2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2oc1=O | |
| 529,CHEMBL1642680,23400.0,Nc1cccc(OCc2ccccc2)c1 | |
| 3415,CHEMBL4591817,23440.0,C#CCOc1cccc(-c2cc(-c3cccc(OCC#C)c3)nc(-c3ccccc3)n2)c1 | |
| 683,CHEMBL568385,23460.0,CCOC(=O)c1cc2ccc(OC)cc2oc1=O | |
| 4231,CHEMBL1917529,23470.0,O=C1c2ccccc2-c2nccc3cc(O)cc1c23 | |
| 714,CHEMBL1830139,23500.0,O=C(C/C=C/c1ccccc1)Nc1cccc(Cl)c1 | |
| 912,CHEMBL86905,23500.0,O=Cc1coc2ccccc2c1=O | |
| 2876,CHEMBL4212598,23570.0,COc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)c(O)c1 | |
| 4376,CHEMBL5220219,23600.0,C#CCN1CCC(CCc2cccc(OC(=O)Nc3ccccc3)c2)CC1 | |
| 5139,CHEMBL3651142,23800.0,COc1cc(C)c(CN[C@H]2CC2c2ccccc2)cc1C | |
| 1924,CHEMBL3651142,23800.0,COc1cc(C)c(CN[C@H]2CC2c2ccccc2)cc1C | |
| 685,CHEMBL1830801,23840.0,CCN(CC)c1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1 | |
| 3177,CHEMBL4464419,23900.0,Cc1nn(Cc2nc(-c3cccc(C4=NCCN4)c3)no2)c(=O)c2ccccc12 | |
| 3550,CHEMBL4438912,24000.0,C[C@H]1Cc2cccc(O)c2C(=O)O1 | |
| 170,CHEMBL509322,24000.0,NC[C@@]1(c2ccccc2)C[C@@H]1F | |
| 1968,CHEMBL3651122,24000.0,COc1ccc(CN[C@H]2CC2c2ccccc2)cc1OC | |
| 5124,CHEMBL3651122,24000.0,COc1ccc(CN[C@H]2CC2c2ccccc2)cc1OC | |
| 629,CHEMBL1823811,24050.0,N=C1NC(=O)C(Cc2ccccc2)S1 | |
| 2735,CHEMBL4130319,24090.0,COc1cc2c(cc1OC)[C@@H]1[C@H](C)c3ccc(OC)c(OC)c3CN1CC2 | |
| 4183,CHEMBL5174092,24140.0,C=CCc1ccc(OC(=O)/C=C/c2ccc(O)c(O)c2)c(OC)c1 | |
| 1153,CHEMBL2376891,24300.0,O=C(Nc1cc2ccccc2oc1=O)Oc1ccccc1 | |
| 879,CHEMBL541474,24333.0,O=C1NC(=S)N/C1=C\c1c[nH]c2ccccc12 | |
| 765,CHEMBL1927681,24400.0,Cn1c(=O)c2c(nc(NCCc3cccc(Cl)c3)n2C)n(C)c1=O | |
| 2187,CHEMBL3781124,24400.0,CN1CCN(c2ccc(C(=O)Nc3ccc([C@H]4C[C@@H]4N)cc3)cc2)CC1.Cl.Cl | |
| 2873,CHEMBL4209609,24430.0,Cc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)c(O)c1 | |
| 51,CHEMBL536060,24500.0,C=C(CNN)c1ccc(Cl)cc1.Cl | |
| 4566,CHEMBL5283462,24500.0,CCSc1nc(-c2ccc(C)cc2)n2nc(C)cc2n1 | |
| 872,CHEMBL1173331,24500.0,CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 | |
| 2874,CHEMBL4214517,24620.0,Cc1ccc(O)c(/C=N/c2ccc(OCc3ccccc3)cc2)c1 | |
| 2879,CHEMBL4208742,24800.0,Oc1ccc(Cl)cc1/C=N/c1ccc(OCc2ccccc2)cc1 | |
| 2540,CHEMBL4064374,24900.0,CC(C)N1CCN(CCCCCCOc2ccc3c(c2)NC(=O)CC3)CC1 | |
| 3561,CHEMBL4562753,24940.0,O=C1Cc2cc(OCc3ccc(F)cc3)ccc2N1 | |
| 2203,CHEMBL3786192,25000.0,c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 | |
| 5062,CHEMBL1232461,25000.0,CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21 | |
| 26,CHEMBL303594,25000.0,CC(=O)N1N=C(c2ccc(O)cc2)CC1c1cccc(Cl)c1 | |
| 4595,CHEMBL5285044,25000.0,COc1ccc(/C=C2\COc3cc(OCCN4CCCCC4)ccc3C2=O)cc1 | |
| 2204,CHEMBL3785523,25000.0,CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1 | |
| 206,CHEMBL562142,25000.0,COc1ccc(C2CC(c3ccccc3)=NN2C(C)=O)cc1OC | |
| 2866,CHEMBL4214391,25130.0,Oc1ccccc1/C=N/c1ccc(OCc2ccccc2)cc1 | |
| 1591,CHEMBL3297795,25180.0,O=C(Sc1ccc(Br)cc1)c1cc2cc(Br)c(Br)cc2oc1=O | |
| 2561,CHEMBL4093551,25235.0,C#CCn1c(-c2ccc(C(=O)N/N=C/c3cc(OC)cc(OC)c3)cc2)nc2ccccc21 | |
| 5138,CHEMBL3651141,25300.0,COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1C | |
| 1935,CHEMBL3651141,25300.0,COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1C | |
| 4639,CHEMBL5434825,25300.0,C#CCN(C)CCCOc1cc(NC=O)c(Cl)cc1Cl | |
| 4126,CHEMBL396778,25300.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 906,CHEMBL2058153,25333.0,N=C1NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | |
| 84,CHEMBL472081,25360.0,CC(C)NC(=O)c1cc2ccccc2oc1=O | |
| 4886,CHEMBL5575301,25400.0,CCCCS(=O)(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | |
| 5403,CHEMBL5942463,25500.0,c1ccc([C@H]2C[C@@H]2NCC2CNC2)cc1 | |
| 5233,CHEMBL5942463,25500.0,c1ccc([C@H]2C[C@@H]2NCC2CNC2)cc1 | |
| 5427,CHEMBL5942463,25500.0,c1ccc([C@H]2C[C@@H]2NCC2CNC2)cc1 | |
| 1763,CHEMBL3417297,25730.0,CCOc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12 | |
| 885,CHEMBL2058424,25733.0,C/N=C1/N/C(=C\c2c[nH]c3cc(Br)ccc23)C(=O)N1C | |
| 4014,CHEMBL4851258,25780.0,C#CCNC1CCc2c(SCCc3ccc(C)cc3)cccc21 | |
| 3435,CHEMBL4584479,25800.0,CC(=O)c1ccc(OCCCCCCCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 3650,CHEMBL242341,25800.0,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 | |
| 864,CHEMBL2058706,26000.0,C/N=C1\NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | |
| 2518,CHEMBL4084007,26100.0,CC(C)N1CCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1 | |
| 3945,CHEMBL4781081,26100.0,O=C(Nc1ccccc1)OCC1CCN(Cc2ccccc2)CC1 | |
| 3841,CHEMBL4762012,26130.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccc(Br)cc2c1=O | |
| 897,CHEMBL2058415,26333.0,C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C | |
| 5222,CHEMBL6002079,26470.0,c1ccc([C@H]2C[C@@H]2NC2CCCNC2)cc1 | |
| 5416,CHEMBL6002079,26470.0,c1ccc([C@H]2C[C@@H]2NC2CCCNC2)cc1 | |
| 5392,CHEMBL6002079,26470.0,c1ccc([C@H]2C[C@@H]2NC2CCCNC2)cc1 | |
| 3741,CHEMBL4648682,26500.0,CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(O)c(C(=O)O)c1C | |
| 2686,CHEMBL4099142,26600.0,CC(=O)c1ccc(OCCCCCCN2CCCCC2)cc1O | |
| 3027,CHEMBL4240968,26607.0,C[C@H](Cc1ccc(OCc2ccccn2)cc1)N(C)CC(=O)O | |
| 3487,CHEMBL4473943,26700.0,O=C(CCc1cccc(OCCCCN2CCc3ccccc3C2)c1)c1ccccc1O | |
| 1250,CHEMBL2417766,26800.0,CN1N=C(c2ccc(O)cc2)CC1c1ccccc1 | |
| 2683,CHEMBL4090497,26800.0,CC(=O)c1ccc(OCCCCCN2CCN(Cc3ccccc3)CC2)cc1O | |
| 72,CHEMBL496281,26810.0,CC1CCCC/C1=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 | |
| 375,CHEMBL1242965,26810.0,CC1CCCC/C1=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 | |
| 415,CHEMBL1242965,26811.0,CC1CCCC/C1=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 | |
| 887,CHEMBL2058422,26833.0,C/N=C1/N/C(=C\c2c[nH]c3cccc(Br)c23)C(=O)N1C | |
| 3444,CHEMBL4460888,26900.0,CC(=O)c1ccc(OCCCCCCN2CCc3ccccc3C2)cc1O | |
| 331,CHEMBL1222279,27000.0,COc1ccccc1/C=C1\SC(=O)N(CCN)C1=O | |
| 1711,CHEMBL3401326,27000.0,Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 | |
| 643,CHEMBL1222279,27000.0,COc1ccccc1/C=C1\SC(=O)N(CCN)C1=O | |
| 694,CHEMBL1830799,27110.0,O=C(c1ccccc1)c1cc2cccc(O)c2oc1=O | |
| 4889,CHEMBL2337836,27310.0,O=C1O[C@@H](CNS(=O)(=O)c2cccs2)CN1c1ccc(N2CCOCC2)c(F)c1 | |
| 4675,CHEMBL2386670,27500.0,COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1O | |
| 2205,CHEMBL3786420,27500.0,Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl | |
| 4172,CHEMBL5077732,27600.0,O=c1[nH]nc(/C=C/c2ccc3c(c2)OCO3)o1 | |
| 5027,CHEMBL5646639,27620.0,C#CCOc1ccc(-c2cc(=O)c3c(F)cc(OC)cc3o2)cc1 | |
| 905,CHEMBL2058154,27800.0,N=C1NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | |
| 2194,CHEMBL3781885,27800.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)c(N3CCOCC3)c2)cc1 | |
| 245,CHEMBL16312,27870.0,COc1ccc(-c2cc(=O)c3ccccc3o2)cc1 | |
| 3442,CHEMBL4560409,27900.0,CC(=O)c1ccc(OCCCCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O | |
| 5379,CHEMBL6044125,28000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1 | |
| 1907,CHEMBL3651097,28000.0,c1ccc(C2C[C@@H]2NCc2nccs2)cc1 | |
| 5436,CHEMBL6044125,28000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1 | |
| 5291,CHEMBL6044125,28000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1 | |
| 5309,CHEMBL6044125,28000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1 | |
| 5300,CHEMBL6044125,28000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1 | |
| 5242,CHEMBL6044125,28000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1 | |
| 5101,CHEMBL3651097,28000.0,c1ccc(C2C[C@@H]2NCc2nccs2)cc1 | |
| 5461,CHEMBL6044125,28000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1 | |
| 1648,CHEMBL3330338,28100.0,Cl.N[C@]1(Cc2ccccc2)C[C@H]1c1ccccc1 | |
| 181,CHEMBL488072,28130.0,CC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C | |
| 3368,CHEMBL4520421,28180.0,C#CCNCc1ccc(CNC23OC4C5C6CC(C7C6C4C72)C53)cc1 | |
| 876,CHEMBL2058151,28333.0,N=C1NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | |
| 2094,CHEMBL3764408,28500.0,O=c1cc(C(F)(F)F)c2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1 | |
| 1200,CHEMBL2391738,28600.0,O=C1OCc2ccccc21 | |
| 3834,CHEMBL4782785,28640.0,COc1ccc2c(=O)c(C(=O)NC3CCN(Cc4ccccc4)CC3)coc2c1 | |
| 1016,CHEMBL2177462,28700.0,CCN(C)c1ccc(/C=C2\Cc3cc(OC)c(O)cc3C2=O)cc1.Cl | |
| 4015,CHEMBL4854062,28730.0,C#CCNC1CCc2c(SCCc3cccc(OC)c3)cccc21 | |
| 1764,CHEMBL3417296,28760.0,O=c1cc(C(F)(F)F)c2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1 | |
| 3519,CHEMBL4447074,28770.0,FC(F)(F)Cc1cc2c(N[C@H]3CC[C@H](N[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1 | |
| 3051,CHEMBL4288413,28840.0,C#CCn1ccc2cc(NC(=O)N(CC)CC)ccc21 | |
| 2184,CHEMBL4299324,29000.0,CC(C)C[C@H](NC(=O)[C@H](CCCNN)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | |
| 4123,CHEMBL4865248,29000.0,Cn1cc(C(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc21 | |
| 2283,CHEMBL3970226,29000.0,CN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1 | |
| 3423,CHEMBL4469654,29030.0,C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)c(OCC)c3)nc(-c3ccccc3)n2)cc1 | |
| 3952,CHEMBL4800026,29300.0,CC(C)c1ccc(NC(=O)OC2CCCN(Cc3ccccc3)C2)cc1 | |
| 1408,CHEMBL165,29370.0,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 | |
| 287,CHEMBL1076153,29380.0,NC(=S)N1N=C(c2ccc(Cl)cc2)CC1c1ccc[nH]1 | |
| 1535,CHEMBL3261207,29420.0,Cc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O | |
| 3843,CHEMBL4798406,29460.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2cc(Br)ccc2c1=O | |
| 2745,CHEMBL4161420,29500.0,Cc1ccc(NC(=S)N/N=C/c2ccc(-n3nc4c(c3C)N(C)S(=O)(=O)c3ccccc3-4)cc2)cc1 | |
| 3446,CHEMBL4456192,29800.0,CCN(CCCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1 | |
| 4180,CHEMBL165,29900.0,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 | |
| 2183,CHEMBL4299278,30000.0,CC(C)C[C@@H](NC(=O)[C@@H](CCCNN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | |
| 2182,CHEMBL4299307,30000.0,CC(C)C[C@@H](NC(=O)[C@@H](CCCNN)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | |
| 159,CHEMBL450413,30000.0,Cc1ccc([C@@]2(F)C[C@H]2N)cc1 | |
| 27,CHEMBL294811,30000.0,CC(=O)N1N=C(c2ccc(O)cc2)CC1c1ccc(C)cc1 | |
| 207,CHEMBL562143,30000.0,CC(=O)N1N=C(c2ccc(O)cc2O)CC1c1ccccc1 | |
| 1665,CHEMBL3394525,30080.0,CC1=NN(C(=O)CN2CCC(CO)CC2)C(c2cc(Br)cc(Br)c2O)C1 | |
| 2971,CHEMBL4206431,30110.0,COc1cccc2cc(-c3ccc(Cl)nn3)c(=O)oc12 | |
| 1653,CHEMBL3394507,30170.0,O=C(CN1CCOCC1)N1N=C(c2ccc(F)cc2)CC1c1cc(Cl)ccc1O | |
| 4884,CHEMBL5075183,30290.0,O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C1CC1 | |
| 2089,CHEMBL3765760,30400.0,O=c1ccc2ccc(OCCNCCC3CCN(Cc4ccccc4)CC3)cc2o1 | |
| 888,CHEMBL2058421,30467.0,C/N=C1/N/C(=C\c2c[nH]c3ccccc23)C(=O)N1C | |
| 1501,CHEMBL3220508,30500.0,COc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1 | |
| 4017,CHEMBL4874605,30510.0,C#CCNC1CCc2c(SCCc3cccc(Br)c3)cccc21 | |
| 3259,CHEMBL4303182,30590.0,O=C(O)c1cc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)ccc1Cl | |
| 2688,CHEMBL4065727,30800.0,CC(=O)c1ccc(OCCCCCCN2CCN(Cc3ccccc3)CC2)cc1O | |
| 715,CHEMBL1830140,30900.0,O=C(C/C=C/c1ccccc1)Nc1cccc(Br)c1 | |
| 590,CHEMBL1777847,30910.0,O=c1oc2c(O)cc(Br)cc2cc1-c1ccccc1 | |
| 3842,CHEMBL4794092,30930.0,COc1ccc2c(=O)c(C(=O)NCCC3CCN(Cc4ccccc4)CC3)coc2c1 | |
| 2864,CHEMBL4209868,31000.0,COC(=O)c1cc(NC(=S)Nc2ccc3[nH]ccc3c2)ccc1O | |
| 4598,CHEMBL5400090,31050.0,Cc1cc(=O)oc2c(NC(=O)C(C)C)c(O)ccc12 | |
| 4179,CHEMBL5081072,31100.0,C#CCNC(=O)/C=C/c1ccc(O)cc1 | |
| 4596,CHEMBL5398015,31150.0,CC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12 | |
| 4784,CHEMBL104,31172.0,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | |
| 432,CHEMBL1255021,31197.0,COc1ccc(-c2csc(NN=C3CCC(C)CC3)n2)cc1 | |
| 2702,CHEMBL4081806,31500.0,O=c1c(/C=N/c2ccccc2O)coc2ccccc12 | |
| 1655,CHEMBL3394504,31550.0,O=C(CN1CCOCC1)N1N=C(c2ccc(Cl)cc2)CC1c1ccccc1O | |
| 630,CHEMBL1823808,31650.0,COc1cc(/C=C2/SC(=S)NC2=O)c(OC)cc1O | |
| 2538,CHEMBL4102298,31700.0,O=C1CCc2ccc(OCCCCCCN3CCCCC3)cc2N1 | |
| 2880,CHEMBL4203861,31740.0,Oc1ccc(Br)cc1/C=N/c1ccc(OCc2ccccc2)cc1 | |
| 3811,CHEMBL4789995,31800.0,CCN(CC)C(=O)/C=C/c1ccc(OC(=O)N(C)C)c(OC)c1 | |
| 3155,CHEMBL1489749,31800.0,O=C(CSc1nc(O)c2ccccc2n1)c1ccccc1 | |
| 4254,CHEMBL165,31800.0,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 | |
| 3817,CHEMBL4762653,31800.0,COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC(=O)N(c1ccccc1)c1ccccc1 | |
| 2093,CHEMBL3764112,31900.0,CCOc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12 | |
| 4092,CHEMBL4855475,32000.0,Fc1ccccc1CNC1CC12CCc1ccccc12 | |
| 58,CHEMBL255230,32000.0,C#CCN[C@@H]1CCc2cc(Cl)c(OC(=O)N(C)CCC)cc21 | |
| 4251,CHEMBL4855475,32000.0,Fc1ccccc1CNC1CC12CCc1ccccc12 | |
| 1810,CHEMBL3421673,32020.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 | |
| 778,CHEMBL1934673,32040.0,COc1ccc(-c2c(O)c3cc(C)ccc3oc2=O)cc1 | |
| 5405,CHEMBL5792982,32400.0,NC(=O)N1CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 5429,CHEMBL5792982,32400.0,NC(=O)N1CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 5235,CHEMBL5792982,32400.0,NC(=O)N1CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 280,CHEMBL1080196,32480.0,NC(=S)N1N=C(c2ccccc2)CC1c1ccco1 | |
| 3815,CHEMBL4748948,32500.0,COc1cc(/C=C/C(=O)N2CCCCC2)ccc1OC(=O)N(C)C | |
| 278,CHEMBL489743,32810.0,Cc1ccc(C2CC(c3ccccc3)=NN2C(N)=S)cc1 | |
| 4333,CHEMBL5201504,32880.0,O=C(c1ccccc1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21 | |
| 4501,CHEMBL5266018,32910.0,O=C(CCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)Nc1ccc(Cl)cc1 | |
| 4502,CHEMBL5282870,32910.0,O=C(CCCCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)Nc1ccc(F)cc1 | |
| 4504,CHEMBL5282177,32910.0,O=C(CCCCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)Nc1ccccc1 | |
| 4503,CHEMBL5268889,32910.0,Cc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(-c5ccc(Cl)cc5)cc(=O)c4c3)nn2)cc1 | |
| 4499,CHEMBL5266337,32910.0,Cc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(-c5ccc(Cl)cc5)cc(=O)c4c3)nn2)cc1 | |
| 4495,CHEMBL5277653,32910.0,O=C(NCc1cnnn1Cc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)c1ccccc1 | |
| 4500,CHEMBL5284386,32910.0,O=C(CCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)Nc1ccccc1 | |
| 4497,CHEMBL5272242,32910.0,Cc1ccc(C(=O)NCc2cn(Cc3ccc4oc(-c5ccc(Cl)cc5)cc(=O)c4c3)nn2)cc1 | |
| 4496,CHEMBL5291098,32910.0,O=C(NCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)c1ccc(Cl)cc1 | |
| 4498,CHEMBL5286842,32910.0,O=C(CCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)Nc1ccc(F)cc1 | |
| 2195,CHEMBL3780774,33000.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCCCC3)c(NC(=O)OCc3ccccc3)c2)cc1 | |
| 4591,CHEMBL363747,33000.0,COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1 | |
| 875,CHEMBL2058150,33000.0,N=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)N1 | |
| 4437,CHEMBL5277056,33000.0,Cc1cc(F)ncc1C(=O)Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1 | |
| 3434,CHEMBL4540746,33100.0,CCN(CCCCCCCCCCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1 | |
| 4885,CHEMBL5082239,33120.0,O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1cccs1 | |
| 712,CHEMBL1830137,33200.0,O=C(C/C=C/c1ccccc1)Nc1ccccc1 | |
| 751,CHEMBL1927665,33200.0,Cn1c(=O)c2c(nc(Sc3ccccc3)n2C)n(C)c1=O | |
| 290,CHEMBL1079383,33260.0,NC(=S)N1N=C(c2cccs2)CC1c1ccc[nH]1 | |
| 3836,CHEMBL4757818,33290.0,O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 | |
| 279,CHEMBL1080035,33290.0,NC(=S)N1N=C(c2ccccc2)CC1c1ccc(Cl)cc1 | |
| 1646,CHEMBL3330336,33300.0,CC[C@@]1(N)C[C@H]1c1ccccc1.Cl | |
| 3948,CHEMBL4792506,33300.0,O=C(Nc1ccccc1)OC1CCCN(Cc2ccccc2)C1 | |
| 1156,CHEMBL2376886,33380.0,CCOC(=O)Nc1cc2ccccc2oc1=O | |
| 821,CHEMBL537732,33400.0,COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(F)cc1 | |
| 3127,CHEMBL4279917,33500.0,CC(C)(C)c1cc(/C=C/C(=O)NC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O | |
| 1742,CHEMBL3407584,33600.0,C#CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 | |
| 2092,CHEMBL3764166,33600.0,COc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12 | |
| 898,CHEMBL508657,33833.0,C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccccc23)N1C | |
| 2091,CHEMBL3765293,33900.0,O=c1cc(Cl)c2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1 | |
| 4557,CHEMBL5275930,34000.0,COC(=O)C1=CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1C1=CCOC1=O | |
| 3578,CHEMBL4445043,34300.0,Cn1c(=O)[nH]c2cc(OCc3cccc(Cl)c3)ccc21 | |
| 5123,CHEMBL3651121,34300.0,Clc1ncccc1CN[C@H]1CC1c1ccccc1 | |
| 1943,CHEMBL3651121,34300.0,Clc1ncccc1CN[C@H]1CC1c1ccccc1 | |
| 874,CHEMBL2058409,34333.0,CN1C(=N)NC(=O)/C1=C\c1c[nH]c2c(Br)cccc12 | |
| 903,CHEMBL2058410,34333.0,CN1C(=N)N/C(=C\c2c[nH]c3ccccc23)C1=O | |
| 2247,CHEMBL326294,34390.0,O=C1Nc2ccccc2C1=O | |
| 2690,CHEMBL4077921,34600.0,CC(=O)c1ccc(OCCCCCCN2CCN(c3ncccn3)CC2)cc1O | |
| 1421,CHEMBL3133306,34610.0,COc1cc(/C=C/c2ccc(OCCCCN(C)Cc3ccccc3)cc2)cc(OC)c1 | |
| 2165,CHEMBL3770053,34670.0,CC1Oc2ccccc2C2CC(c3ccccc3)=NN2C1=O | |
| 4943,CHEMBL5572225,34779.0,O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(/C=N/N3CCOCC3)nc2)c(F)c1 | |
| 465,CHEMBL1253357,34810.0,CNC(=S)N1CC(C)C(c2ccc(Cl)cc2)=N1 | |
| 1743,CHEMBL3407583,35100.0,C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 | |
| 2290,CHEMBL3965645,35190.0,C#CCN1C(=O)C(=O)c2ccccc21 | |
| 3837,CHEMBL4755016,35290.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccccc2c1=O | |
| 5388,CHEMBL3759239,35370.0,c1ccc([C@H]2C[C@@H]2NCC2CCNCC2)cc1 | |
| 5412,CHEMBL3759239,35370.0,c1ccc([C@H]2C[C@@H]2NCC2CCNCC2)cc1 | |
| 5218,CHEMBL3759239,35370.0,c1ccc([C@H]2C[C@@H]2NCC2CCNCC2)cc1 | |
| 1526,CHEMBL3261199,35400.0,COc1ccccc1NC(=O)c1cc2ccccc2oc1=O | |
| 1974,CHEMBL3651115,35500.0,COc1cncc(CN[C@H]2CC2c2ccccc2)c1 | |
| 5117,CHEMBL3651115,35500.0,COc1cncc(CN[C@H]2CC2c2ccccc2)c1 | |
| 1901,CHEMBL3629811,35500.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3c(OC)cc(OC)cc3oc2=O)cc1 | |
| 873,CHEMBL2058408,35667.0,CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cc(Br)ccc12 | |
| 3941,CHEMBL4797429,35700.0,COc1ccc2c(c1)C(/C=C/c1n[nH]c(=O)o1)=CCC2 | |
| 4173,CHEMBL5085614,35700.0,O=c1[nH]nc(/C=C/c2ccc(O)cc2)o1 | |
| 1309,CHEMBL2396877,35860.0,COc1cccc(C(=O)/C=C/C2=Cc3cc(Br)ccc3OC2)c1 | |
| 5431,CHEMBL6009770,35960.0,c1ccc([C@H]2C[C@@H]2NC2CCN(c3ccncc3)CC2)cc1 | |
| 5407,CHEMBL6009770,35960.0,c1ccc([C@H]2C[C@@H]2NC2CCN(c3ccncc3)CC2)cc1 | |
| 5237,CHEMBL6009770,35960.0,c1ccc([C@H]2C[C@@H]2NC2CCN(c3ccncc3)CC2)cc1 | |
| 3397,CHEMBL4474002,35980.0,Cc1cc(O)cc2oc(=O)c(C(=O)CCN3CCOCC3)cc12.Cl | |
| 1710,CHEMBL3401325,36000.0,Cl.S=C(NCCCNCCCCCNCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 | |
| 3364,CHEMBL4452784,36310.0,C#CCNCc1ccc(CNC2C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1 | |
| 642,CHEMBL1821748,36480.0,CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S | |
| 4580,CHEMBL5278584,36500.0,Cc1ccc([Se]CC(C)N)cc1 | |
| 3513,CHEMBL4526830,36700.0,FC(F)(F)Cc1cc2c(N3CCC(N[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1 | |
| 4583,CHEMBL5286143,36800.0,COc1ccc([Se]CC(C)N)cc1 | |
| 2857,CHEMBL4212159,37000.0,COc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1 | |
| 3939,CHEMBL4794879,37000.0,CNc1nnc(CCc2c[nH]c3ccc(OC)cc23)o1 | |
| 154,CHEMBL469024,37000.0,N[C@H]1C[C@@]1(F)c1ccccc1 | |
| 2859,CHEMBL4217556,37000.0,CC(=O)Nc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1 | |
| 902,CHEMBL2058411,37000.0,CN1C(=N)N/C(=C\c2c[nH]c3cccc(Br)c23)C1=O | |
| 1203,CHEMBL255231,37100.0,C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21 | |
| 3055,CHEMBL255231,37100.0,C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21 | |
| 1312,CHEMBL255231,37100.0,C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21 | |
| 3749,CHEMBL255231,37100.0,C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21 | |
| 1010,CHEMBL255231,37100.0,C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21 | |
| 4606,CHEMBL5395261,37260.0,Cc1cc(=O)oc2c(NC(=O)c3ccc(Cl)cc3)c(O)ccc12 | |
| 620,CHEMBL1814073,37690.0,CCCNC(=O)c1coc2ccccc2c1=O | |
| 3115,CHEMBL4280725,37900.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)c(O)cc2o1 | |
| 1765,CHEMBL3417294,37960.0,Nc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12 | |
| 208,CHEMBL554514,38000.0,CC(=O)N1N=C(c2ccccc2)CC1c1ccccc1C | |
| 4637,CHEMBL5428315,38000.0,C#CCN(C)CCCOc1cc(C#N)c(Cl)cc1Cl | |
| 5163,CHEMBL2418208,38400.0,Clc1cccc(-c2nc3ccc(N4CCCCC4)nc3o2)c1 | |
| 2379,CHEMBL2418208,38400.0,Clc1cccc(-c2nc3ccc(N4CCCCC4)nc3o2)c1 | |
| 3542,CHEMBL461985,38500.0,Cc1ccc(O)c2c1C[C@@H](C)OC2=O | |
| 3075,CHEMBL4288571,38600.0,O=C1/C(=C/c2ccc(OCCCN3CCN(Cc4ccccc4)CC3)cc2)COc2ccccc21 | |
| 2623,CHEMBL50,38660.0,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | |
| 3544,CHEMBL4581266,38900.0,Cc1cc(-c2ccc(O)cc2)c(O)c2c1C[C@@H](C)OC2=O | |
| 1537,CHEMBL3261209,39110.0,Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1 | |
| 286,CHEMBL1080447,39370.0,NC(=S)N1N=C(c2ccc(Cl)cc2)CC1c1ccc(Cl)cc1 | |
| 3949,CHEMBL4788813,39500.0,O=C(Nc1ccccc1)OCC1CCCN(Cc2ccccc2)C1 | |
| 3181,CHEMBL4573007,39700.0,Cc1nc(-c2ccc(C3=NCCN3)cc2)no1 | |
| 5064,CHEMBL4301645,40000.0,c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1 | |
| 23,CHEMBL66639,40000.0,CC(=O)N1N=C(c2ccc(O)cc2)CC1c1ccc(Cl)cc1 | |
| 209,CHEMBL564016,40000.0,COc1ccc(C2=NN(C(C)=O)C(c3ccccc3C)C2)c(OC)c1 | |
| 1658,CHEMBL3394495,40090.0,O=C(CN1CCCCC1)N1N=C(c2ccc(Cl)cc2)CC1c1ccccc1O | |
| 4291,CHEMBL294264,40200.0,O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 | |
| 3512,CHEMBL4442317,40250.0,FC(F)(F)Cc1cc2c(N3CCC(N[C@@H]4C[C@H]4c4ccccc4)CC3)ncnc2s1 | |
| 1419,CHEMBL3132866,40290.0,COc1cc(/C=C/c2ccc(OCCCCCCN(C)Cc3ccccc3)cc2)cc(OC)c1 | |
| 1015,CHEMBL2177463,40500.0,CCCN(C)c1ccc(/C=C2\Cc3cc(OC)c(O)cc3C2=O)cc1.Cl | |
| 2101,CHEMBL3764211,40500.0,Cc1cc(=O)oc2cc(CNCCC3CCN(Cc4ccccc4)CC3)ccc12 | |
| 4330,CHEMBL5181753,40870.0,O=S(=O)(c1cccc(Cl)c1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21 | |
| 3541,CHEMBL4455693,40900.0,Cc1ccc(O)c2c1C[C@H](C)OC2=O | |
| 3390,CHEMBL4525381,41110.0,Cl.O=C(CCN1CCN(Cc2ccccc2)CC1)c1cc2ccc(O)cc2oc1=O | |
| 1674,CHEMBL3394510,41320.0,Cc1ccc(C2=NN(C(=O)Cn3ccnc3)C(c3ccccc3O)C2)cc1 | |
| 128,CHEMBL484769,41640.0,Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O | |
| 3185,CHEMBL4455290,41800.0,N#Cc1ccc(C2=NCCN2c2ccc(C(F)(F)F)cn2)cc1 | |
| 1669,CHEMBL3394518,41800.0,CC1=NN(C(=O)CN2CCOCC2)C(c2cc(Cl)ccc2O)C1 | |
| 621,CHEMBL1814055,41900.0,O=C(Nc1ccc(O)cc1)c1cc(=O)c2ccccc2o1 | |
| 19,CHEMBL62743,42000.0,CC(=O)N1N=C(c2ccc(O)cc2O)CC1c1ccc(C)cc1 | |
| 3759,CHEMBL4637888,42100.0,O=C(/C=C/c1ccsc1)c1cc(O)c(O)c([N+](=O)[O-])c1 | |
| 695,CHEMBL1830792,42130.0,CC(=O)c1cc2cccc(O)c2oc1=O | |
| 1666,CHEMBL3394523,42320.0,CC1=NN(C(=O)CN2CCN(CCO)CC2)C(c2cc(Br)cc(Br)c2O)C1 | |
| 2483,CHEMBL4086085,42500.0,CC(=O)c1ccc(CN2CCC3(CCNCC3)C2)cc1 | |
| 4309,CHEMBL103879,42600.0,COc1ccc2c(c1)SCC(=O)N2 | |
| 1811,CHEMBL3421672,42650.0,Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 | |
| 780,CHEMBL1934676,42680.0,COc1ccc(-c2c(O)c3cc(C)ccc3oc2=O)cc1Cl | |
| 1308,CHEMBL2396878,42770.0,COc1ccccc1C(=O)/C=C/C1=Cc2cc(Br)ccc2OC1 | |
| 2819,CHEMBL4176620,42908.0,N#Cc1ccc(-c2csc(N/N=C/c3ccc(N4CCOCC4)cc3)n2)cc1 | |
| 904,CHEMBL1173525,43167.0,CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccccc12 | |
| 1369,CHEMBL3108959,43300.0,COC(=O)c1ccnc(-c2cc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)ccn2)c1.Cl | |
| 3399,CHEMBL4550005,43670.0,Cc1cc(O)cc2oc(=O)c(C(=O)CCN3CCCC3)cc12.Cl | |
| 3076,CHEMBL4285329,43800.0,CCN(CC)CCOc1ccccc1/C=C1\COc2ccccc2C1=O | |
| 1656,CHEMBL3394499,44090.0,O=C(CN1CCCCC1)N1N=C(c2ccc(Cl)cc2)CC1c1cc(Cl)ccc1O | |
| 192,CHEMBL488267,44100.0,COc1cc(OCC(C)=O)cc2oc(=O)ccc12 | |
| 5338,CHEMBL3926080,44170.0,NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5177,CHEMBL3926080,44170.0,NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5250,CHEMBL5969447,44170.0,NC1CCC(NC2CC2c2ccccc2)CC1 | |
| 2393,CHEMBL3926080,44170.0,NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 773,CHEMBL1934044,44740.0,Cc1ccc(/C=N/Nc2nc(-c3ccc(F)cc3)cs2)cc1 | |
| 922,CHEMBL2062883,44800.0,O=C1CC(O)Oc2cccc(OCc3ccc(Br)cc3)c21 | |
| 2164,CHEMBL3770129,45240.0,Cc1ccc(C2=NN3C(=O)C(C)Oc4ccccc4C3C2)cc1 | |
| 5449,CHEMBL6011100,45350.0,O=C(Oc1ccccc1)N1CCC(F)(CNC2CC2c2ccccc2)CC1 | |
| 1585,CHEMBL3297786,45370.0,CCC(C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O | |
| 692,CHEMBL256699,45520.0,CCOC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O | |
| 2095,CHEMBL3764334,45600.0,O=c1cc(-c2ccccc2)c2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1 | |
| 1661,CHEMBL3394492,45610.0,Cc1ccc(C2=NN(C(=O)CN3CCCCC3)C(c3ccccc3O)C2)cc1 | |
| 4125,CHEMBL887,45700.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 1534,CHEMBL3261206,46070.0,O=C(NCCCN1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O | |
| 3579,CHEMBL4564074,46200.0,CCc1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1 | |
| 3830,CHEMBL4741196,46270.0,COc1ccc2occ(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1 | |
| 5351,CHEMBL4106910,46360.0,CC(C)(C)OC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 2406,CHEMBL4106910,46360.0,CC(C)(C)OC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5190,CHEMBL4106910,46360.0,CC(C)(C)OC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5263,CHEMBL4106910,46360.0,CC(C)(C)OC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5223,CHEMBL5987306,46780.0,c1ccc([C@H]2C[C@@H]2NC2CCNC2)cc1 | |
| 5393,CHEMBL5987306,46780.0,c1ccc([C@H]2C[C@@H]2NC2CCNC2)cc1 | |
| 5417,CHEMBL5987306,46780.0,c1ccc([C@H]2C[C@@H]2NC2CCNC2)cc1 | |
| 662,CHEMBL1823530,46820.0,CC(=O)N1N=C(c2ccncc2)OC1c1ccc(N(C)C)cc1 | |
| 3126,CHEMBL4287826,46900.0,CC(C)(C)c1cc(CCC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O | |
| 1368,CHEMBL3108958,47000.0,N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(-c3cc(C(=O)O)ccn3)c2)cc1.O=C(O)C(F)(F)F | |
| 1659,CHEMBL3394494,47360.0,O=C(CN1CCCCC1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1O | |
| 3193,CHEMBL4555242,47600.0,c1ccc(-c2ccc(-c3noc(-c4ccc(C5=NCCN5)cc4)n3)cc2)cc1 | |
| 488,CHEMBL1258275,48000.0,Brc1cccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)c1 | |
| 1899,CHEMBL3629810,48090.0,CCOc1ccc2cc(C(=O)/C=C/c3c(/C=C/c4ccc(OC)cc4)cc(OC)cc3OC)c(=O)oc2c1 | |
| 713,CHEMBL1830138,48100.0,Cc1cccc(NC(=O)C/C=C/c2ccccc2)c1 | |
| 277,CHEMBL508817,48310.0,NC(=S)N1N=C(c2ccccc2)CC1c1ccccc1 | |
| 3271,CHEMBL4450588,48912.0,C#CCN1CCC(/C=C\c2cccc(F)c2)CC1 | |
| 463,CHEMBL1253333,49440.0,CNC(=S)N1CC(C)C(c2ccc(OC)cc2)=N1 | |
| 3517,CHEMBL4593261,49510.0,Fc1ccc([C@@H]2C[C@H]2NCC2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1F | |
| 240,CHEMBL16442,49720.0,COc1ccc(-c2cc(=O)c3ccc(OC)cc3o2)cc1 | |
| 1668,CHEMBL3394520,49890.0,CC1=NN(C(=O)CN2CCCCC2)C(c2cc(Br)cc(Br)c2O)C1 | |
| 1506,CHEMBL1426944,49960.0,O=C(Nc1cc2ccccc2oc1=O)C1CCCCC1 | |
| 5268,CHEMBL3921314,50000.0,NC1CCC(NC2CC2c2ccc3ccccc3c2)CC1 | |
| 5269,CHEMBL3955397,50000.0,CC1(c2ccccc2)CC1NC1CCC(N)CC1 | |
| 5063,CHEMBL2017291,50000.0,COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12 | |
| 5196,CHEMBL3955397,50000.0,CC1(c2ccccc2)CC1NC1CCC(N)CC1 | |
| 5195,CHEMBL3921314,50000.0,NC1CCC(NC2CC2c2ccc3ccccc3c2)CC1 | |
| 5216,CHEMBL4114573,50000.0,N#Cc1cccc(Nc2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)c1 | |
| 210,CHEMBL539970,50000.0,Cc1ccc(C2=NN(c3ccccc3)CC2)cc1 | |
| 3551,CHEMBL499303,50000.0,C[C@@H]1Cc2cccc(O)c2C(=O)O1 | |
| 5280,CHEMBL4110561,50000.0,Cc1ccc(-c2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)cc1O | |
| 1905,CHEMBL3651116,50000.0,COc1ncccc1CN[C@H]1CC1c1ccccc1 | |
| 4786,CHEMBL2017291,50000.0,COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12 | |
| 2432,CHEMBL4114573,50000.0,N#Cc1cccc(Nc2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)c1 | |
| 2412,CHEMBL3955397,50000.0,CC1(c2ccccc2)CC1NC1CCC(N)CC1 | |
| 2411,CHEMBL3921314,50000.0,NC1CCC(NC2CC2c2ccc3ccccc3c2)CC1 | |
| 2423,CHEMBL4110561,50000.0,Cc1ccc(-c2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)cc1O | |
| 5118,CHEMBL3651116,50000.0,COc1ncccc1CN[C@H]1CC1c1ccccc1 | |
| 5207,CHEMBL4110561,50000.0,Cc1ccc(-c2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)cc1O | |
| 5234,CHEMBL6018761,50000.0,CC(=O)N1CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 5289,CHEMBL4114573,50000.0,N#Cc1cccc(Nc2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)c1 | |
| 1536,CHEMBL3261208,50030.0,COc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O | |
| 193,CHEMBL488266,50200.0,COc1c(O)ccc2c3c(c(=O)oc12)CCCC3 | |
| 4602,CHEMBL5403314,50330.0,Cc1cc(=O)oc2c(NC(=O)C3CCCCC3)c(O)ccc12 | |
| 1642,CHEMBL3330332,50500.0,Cl.N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1 | |
| 1902,CHEMBL3629813,50520.0,C=CCc1cc(OC)c2oc(=O)c(C(=O)/C=C/c3c(/C=C/c4ccc(OC)cc4)cc(OC)cc3OC)cc2c1 | |
| 1660,CHEMBL3394493,50580.0,O=C(CN1CCCCC1)N1N=C(c2ccccc2)CC1c1ccccc1O | |
| 458,CHEMBL1253264,50950.0,CNC(=S)N1CCC(c2ccc(F)cc2)=N1 | |
| 16,CHEMBL158946,51000.0,C/N=C1/CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 | |
| 52,CHEMBL158946,51000.0,C/N=C1/CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 | |
| 3304,CHEMBL4461235,51019.0,C#CCN1CCC(/C=C\c2ccc(C(N)=O)cc2)CC1 | |
| 892,CHEMBL2058419,51167.0,CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O | |
| 3113,CHEMBL4291296,51200.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)ccc2o1 | |
| 3648,CHEMBL4520128,52300.0,CC(C)=CCC(Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O)=C(C)C | |
| 3840,CHEMBL4756552,52450.0,Cc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1 | |
| 4597,CHEMBL5400613,52680.0,CCC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12 | |
| 1663,CHEMBL3394489,52880.0,O=C(CBr)N1N=C(c2ccc(F)cc2)CC1c1ccccc1O | |
| 3276,CHEMBL4444002,53000.5,C#CCN1CCC(/C=C\c2ccc(F)cc2Cl)CC1 | |
| 2823,CHEMBL4176733,53074.0,N#Cc1ccc(-c2csc(N/N=C/c3ccc(N4CCCC4)cc3)n2)cc1 | |
| 459,CHEMBL1253281,53380.0,CNC(=S)N1CCC(c2cccc(C)c2)=N1 | |
| 3403,CHEMBL4442213,53900.0,COc1ccc2[nH]c3nc4c(c(N)c3c2c1)CCCC4 | |
| 2338,CHEMBL3891772,53904.0,C#CCN1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1 | |
| 739,CHEMBL1835233,54030.0,COc1cc(OC)c(Br)c(-c2cc3cc(C)ccc3oc2=O)c1 | |
| 1076,CHEMBL2238457,54300.0,CC(C)(C)OC(=O)NCCCCCCNCC(N)=O | |
| 1857,CHEMBL8706,54300.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 5224,CHEMBL6061691,54330.0,c1ccc([C@H]2C[C@@H]2NC2CCC3(CCNCC3)CC2)cc1 | |
| 5418,CHEMBL6061691,54330.0,c1ccc([C@H]2C[C@@H]2NC2CCC3(CCNCC3)CC2)cc1 | |
| 5394,CHEMBL6061691,54330.0,c1ccc([C@H]2C[C@@H]2NC2CCC3(CCNCC3)CC2)cc1 | |
| 288,CHEMBL1080448,54510.0,Cc1ccc(C2CC(c3ccco3)=NN2C(N)=S)cc1 | |
| 909,CHEMBL13311,54900.0,O=c1ccoc2ccccc12 | |
| 1675,CHEMBL3394508,55100.0,O=C(CN1CCOCC1)N1N=C(c2ccc(Cl)cc2)CC1c1cc(Cl)ccc1O | |
| 1900,CHEMBL3629807,55300.0,COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2cc3ccc(Br)cc3oc2=O)cc1 | |
| 3764,CHEMBL4646711,55400.0,CC(=O)N1N=C(c2cc(O)c(O)c([N+](=O)[O-])c2)CC1c1cccc(C#N)c1 | |
| 3757,CHEMBL4638572,55800.0,O=C(/C=C/c1cccc(O)c1)c1cc(O)c(O)c([N+](=O)[O-])c1 | |
| 1670,CHEMBL3394517,55850.0,CC1=NN(C(=O)CN2CCCCC2)C(c2cc(Cl)ccc2O)C1 | |
| 639,CHEMBL1814648,56000.0,O=C1NC(=O)/C(=N\c2ccc(C(=O)O)cc2)S1 | |
| 335,CHEMBL1222282,56000.0,O=C1NC(=O)/C(=N/c2cccc(C(=O)O)c2)S1 | |
| 697,CHEMBL1830834,56120.0,O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2ccccc2oc1=O | |
| 3046,CHEMBL4278271,56200.0,C[C@@H]1[C@H](NCc2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 | |
| 2225,CHEMBL3797476,56200.0,O=C(O)c1cc2cc(-c3ccccc3)n(O)c2cc1C(=O)O | |
| 1657,CHEMBL3394497,56210.0,Cc1ccc(C2=NN(C(=O)CN3CCCCC3)C(c3cc(Cl)ccc3O)C2)cc1 | |
| 3117,CHEMBL4282527,56400.0,COc1ccc2c(=O)cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[nH]c2c1 | |
| 3572,CHEMBL4464156,56400.0,Cn1c(=O)[nH]c2ccc(OCc3ccc(Cl)cc3)cc21 | |
| 1654,CHEMBL3394505,56500.0,COc1ccc(C2=NN(C(=O)CN3CCOCC3)C(c3cc(Cl)ccc3O)C2)cc1 | |
| 3756,CHEMBL4649455,56600.0,N#Cc1ccc(/C=C/C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | |
| 2482,CHEMBL4066708,56800.0,COCc1cccc(NC(=O)c2cc3sccc3n2C)c1 | |
| 504,CHEMBL1269720,56880.0,NCc1cn(-c2ccc(C(=O)O)cc2)nn1 | |
| 4578,CHEMBL1159896,57300.0,CC(N)CSc1ccccc1 | |
| 2858,CHEMBL4208748,58000.0,S=C(Nc1ccc(Br)cc1)Nc1ccc2[nH]ccc2c1 | |
| 4564,CHEMBL2220507,58000.0,COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2 | |
| 1417,CHEMBL3133310,58310.0,CCN(CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1 | |
| 1503,CHEMBL3220511,58380.0,COc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1OC | |
| 552,CHEMBL1766622,58530.0,O=C1c2ccccc2OCC1Cc1ccccc1 | |
| 4288,CHEMBL53418,58700.0,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21 | |
| 1671,CHEMBL3394516,58910.0,O=C(CN1CCNCC1)N1N=C(c2ccc(F)cc2)CC1c1cc(Cl)ccc1O | |
| 1667,CHEMBL3394521,58940.0,CC1=NN(C(=O)CN2CCC(=O)CC2)C(c2cc(Br)cc(Br)c2O)C1 | |
| 5260,CHEMBL4113884,59090.0,NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21 | |
| 2403,CHEMBL4113884,59090.0,NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21 | |
| 5348,CHEMBL4113884,59090.0,NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21 | |
| 5187,CHEMBL4113884,59090.0,NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21 | |
| 3760,CHEMBL4634068,59200.0,O=C(/C=C/c1nccs1)c1cc(O)c(O)c([N+](=O)[O-])c1 | |
| 2336,CHEMBL3915915,59293.0,C#CCN1CCCC(CNC(=O)c2ccc3ccccc3c2)C1 | |
| 871,CHEMBL1982267,59333.0,CSC1=N/C(=C\c2c[nH]c3ccccc23)C(=O)N1 | |
| 1673,CHEMBL3394511,59400.0,O=C(Cn1ccnc1)N1N=C(c2ccccc2)CC1c1ccccc1O | |
| 1662,CHEMBL3394491,59400.0,COc1ccc(C2=NN(C(=O)CN3CCCCC3)C(c3ccccc3O)C2)cc1 | |
| 3574,CHEMBL4476196,59630.0,Cn1c(=O)[nH]c2ccc(OCCCc3ccccc3)cc21 | |
| 266,CHEMBL151,59700.0,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | |
| 4589,CHEMBL151,59700.0,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | |
| 3116,CHEMBL4294609,59900.0,O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)ccc2[nH]1 | |
| 2854,CHEMBL4218750,60000.0,S=C(Nc1ccccc1)Nc1ccc2[nH]ccc2c1 | |
| 1201,CHEMBL2326864,60000.0,CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)cs1 | |
| 4674,CHEMBL5418924,60300.0,O=C(/C=C/c1c(Br)cccc1Br)c1ccccc1O | |
| 3755,CHEMBL4645261,60600.0,N#Cc1cccc(/C=C/C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)c1 | |
| 2882,CHEMBL4208220,60930.0,O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(OCc3ccccc3)cc2)c1 | |
| 211,CHEMBL87333,61000.0,Oc1ccc(/C=C\c2cc(O)cc(O)c2)cc1 | |
| 1520,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 690,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 366,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1234,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 466,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 133,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2769,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 774,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2796,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2244,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 151,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2110,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 175,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 66,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 557,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1125,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 292,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 962,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 1483,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 322,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 264,CHEMBL8706,61350.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 403,CHEMBL8706,61356.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 122,CHEMBL469571,61490.0,Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O | |
| 3973,CHEMBL8706,62010.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 4016,CHEMBL4858339,62010.0,C#CCNC1CCc2c(SCCc3ccc(OC)cc3)cccc21 | |
| 505,CHEMBL1269721,62070.0,NCc1cn(-c2cccc(C(=O)O)c2)nn1 | |
| 1374,CHEMBL3113639,62300.0,CCCNCc1cc2ccccc2oc1=O | |
| 3758,CHEMBL4648085,62900.0,O=C(/C=C/c1cccs1)c1cc(O)c(O)c([N+](=O)[O-])c1 | |
| 2193,CHEMBL3780542,62900.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)c(NC(=O)OCc3ccccc3)c2)cc1 | |
| 3100,CHEMBL8706,63400.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3094,CHEMBL8706,63410.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 297,CHEMBL8706,63410.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 748,CHEMBL8706,63410.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3679,CHEMBL8706,63410.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 121,CHEMBL472218,63520.0,O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O | |
| 1418,CHEMBL3133308,63770.0,COc1cc(/C=C/c2ccc(OCCCCCCCN(C)Cc3ccccc3)cc2)cc(OC)c1 | |
| 944,CHEMBL2088320,64100.0,Cn1c(=O)c2c(nc(CCSc3cccc(Br)c3)n2C)n(C)c1=O | |
| 696,CHEMBL1830793,64170.0,CC(=O)c1cc2cc(O)ccc2oc1=O | |
| 55,CHEMBL257368,64200.0,C#CCN1CCN(Cc2ccnc3c(O)cccc23)CC1 | |
| 117,CHEMBL471447,64450.0,O=C(NC1CCCCC1)c1cc2ccc(OCc3ccccc3)cc2oc1=O | |
| 4579,CHEMBL5286089,64800.0,CC(N)CSc1ccccc1Br | |
| 3584,CHEMBL4456063,65000.0,Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3cnc(CN)s3)c2)cc1.Cl.Cl | |
| 5447,CHEMBL4515085,65000.0,Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3cnc(CN)s3)c2)cc1 | |
| 212,CHEMBL551278,65000.0,C=CNC(=S)N1N=C(c2ccc(OC)cc2)CC1c1cccs1 | |
| 3690,CHEMBL4577856,65000.0,C#CCN(C)Cc1cccc(Cc2cn(C)nn2)c1 | |
| 5512,CHEMBL4515085,65000.0,Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3cnc(CN)s3)c2)cc1 | |
| 4286,CHEMBL2322655,65000.0,Nc1c(C(=O)O)c2nc3c(C(=O)O)cccc3oc-2cc1=O | |
| 5472,CHEMBL4515085,65000.0,Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3cnc(CN)s3)c2)cc1 | |
| 5284,CHEMBL5926055,65010.0,NC1CCC(NC2C[C@@H]2c2ccc(-c3cccc(NS(=O)(=O)N4CCNCC4)c3)cc2)CC1 | |
| 5211,CHEMBL4106580,65010.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(NS(=O)(=O)N4CCNCC4)c3)cc2)CC1 | |
| 2427,CHEMBL4106580,65010.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(NS(=O)(=O)N4CCNCC4)c3)cc2)CC1 | |
| 3684,CHEMBL8706,65500.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 2293,CHEMBL8706,65500.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 4432,CHEMBL5271269,65730.0,CN(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O | |
| 1736,CHEMBL8706,65800.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 5310,CHEMBL6012828,66000.0,Cc1nnc(NC(=O)c2cc(C3CC3N)cc3ccccc23)s1 | |
| 5243,CHEMBL6012828,66000.0,Cc1nnc(NC(=O)c2cc(C3CC3N)cc3ccccc23)s1 | |
| 5301,CHEMBL6012828,66000.0,Cc1nnc(NC(=O)c2cc(C3CC3N)cc3ccccc23)s1 | |
| 5292,CHEMBL6012828,66000.0,Cc1nnc(NC(=O)c2cc(C3CC3N)cc3ccccc23)s1 | |
| 5437,CHEMBL6012828,66000.0,Cc1nnc(NC(=O)c2cc(C3CC3N)cc3ccccc23)s1 | |
| 5380,CHEMBL6012828,66000.0,Cc1nnc(NC(=O)c2cc(C3CC3N)cc3ccccc23)s1 | |
| 5462,CHEMBL6012828,66000.0,Cc1nnc(NC(=O)c2cc(C3CC3N)cc3ccccc23)s1 | |
| 3763,CHEMBL4634215,66200.0,Cn1cc(/C=C/C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cn1 | |
| 1559,CHEMBL3288306,66400.0,O=C1CCCc2cc(O)ccc21 | |
| 794,CHEMBL1938483,66400.0,Clc1ccc(OCCCN2CC=CCC2)c(Cl)c1 | |
| 4136,CHEMBL4847678,66600.0,O=C(CC1CCNCC1)c1cc2ccccc2[nH]1 | |
| 655,CHEMBL1391898,66640.0,CC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(C)cc1 | |
| 3577,CHEMBL4446293,66720.0,CC(C)c1ccc(OCCOc2ccc3[nH]c(=O)n(C(C)C)c3c2)cc1 | |
| 4187,CHEMBL5171489,67000.0,C#CCN(C)Cc1cccc(NC(=O)CCCCCCC(=O)NO)c1 | |
| 789,CHEMBL1938479,67200.0,Clc1ccc(CCN2CC=CCC2)c(Cl)c1 | |
| 5169,CHEMBL3899811,68200.0,CN(Cc1ccccc1)c1ccc2nc(-c3cccc(Cl)c3)oc2n1 | |
| 3767,CHEMBL4642660,68200.0,CC(=O)N1N=C(c2cc(O)c(O)c([N+](=O)[O-])c2)CC1c1nccs1 | |
| 2385,CHEMBL3899811,68200.0,CN(Cc1ccccc1)c1ccc2nc(-c3cccc(Cl)c3)oc2n1 | |
| 3762,CHEMBL4639456,68200.0,O=C(/C=C/c1ccco1)c1cc(O)c(O)c([N+](=O)[O-])c1 | |
| 4610,CHEMBL5399314,68290.0,COc1cc(C(=O)Nc2c(O)ccc3c(C)cc(=O)oc23)cc(OC)c1OC | |
| 3940,CHEMBL4783536,68300.0,COc1ccc2[nH]cc(/C=C/c3n[nH]c(=O)o3)c2c1 | |
| 5457,CHEMBL5950382,68440.0,O=C(NC1CCC(F)(CNC2CC2c2ccccc2)CC1)OCc1ccccc1 | |
| 3770,CHEMBL4646238,69200.0,CC(=O)N1N=C(c2cc(O)c(O)c([N+](=O)[O-])c2)CC1c1cccs1 | |
| 4036,CHEMBL4871606,69300.0,C#CCNC1CCc2c(SCc3ccc4ccccc4c3)cccc21 | |
| 2103,CHEMBL3769733,69360.0,CC(=O)N1N=C(c2ccncc2)OC1c1ccc(Cl)c(Cl)c1 | |
| 291,CHEMBL1081550,69380.0,NC(=S)N1N=C(c2ccc[nH]2)CC1c1ccco1 | |
| 4139,CHEMBL5075646,69400.0,O=C(NO)c1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1 | |
| 2033,CHEMBL3739683,69560.0,CC(=O)N1CCN(c2ccc(N3C[C@H](CNO)OC3=O)cc2F)CC1.O=C(O)C(F)(F)F | |
| 777,CHEMBL1917495,69590.0,COc1ccc(-c2c(O)c3ccccc3oc2=O)cc1 | |
| 4640,CHEMBL5395648,69600.0,C#CCN(C)CCCOc1cc(NS(C)(=O)=O)c(Cl)cc1Cl | |
| 3124,CHEMBL4289509,70400.0,CC(C)(C)c1cc(CCC(=O)NC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O | |
| 2289,CHEMBL3916392,70580.0,C#CCN1C(=O)C(=O)c2cc(S(=O)(=O)N(C)Cc3cccc(F)c3)ccc21 | |
| 4334,CHEMBL5208082,70680.0,CC(C)(C)C(=O)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21 | |
| 47,CHEMBL536057,71000.0,C=C(CNN)c1ccccc1.Cl | |
| 460,CHEMBL1253283,71300.0,CNC(=S)N1CCC(c2cccc(OC)c2)=N1 | |
| 172,CHEMBL459523,71320.0,Cc1cc(=O)oc2c(C)c(O)ccc12 | |
| 3387,CHEMBL4466838,71380.0,CN(C)CCC(=O)c1cc2ccc(O)cc2oc1=O.Cl | |
| 3761,CHEMBL4636840,71400.0,O=C(/C=C/c1ccoc1)c1cc(O)c(O)c([N+](=O)[O-])c1 | |
| 2151,CHEMBL8706,71500.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 3118,CHEMBL4290401,71600.0,COc1cccc2c(=O)cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[nH]c12 | |
| 3521,CHEMBL4589914,71610.0,Fc1ccc([C@@H]2C[C@H]2N[C@H]2CC[C@H](Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1F | |
| 3950,CHEMBL4798315,71830.0,C#CCN1CCCC(OC(=O)Nc2ccc(C(C)C)cc2)C1 | |
| 492,CHEMBL1258954,72000.0,Clc1ccccc1-c1nnc2c(Cc3ccccc3)nc3ccccc3n12 | |
| 62,CHEMBL255590,72000.0,NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC1)CO2 | |
| 1504,CHEMBL3220512,72580.0,COc1cc(C(=O)Nc2cc3ccccc3oc2=O)cc(OC)c1OC | |
| 2337,CHEMBL3980929,72611.0,C#CCN1CCC(CNC(=O)c2ccc3ccccc3c2)CC1 | |
| 498,CHEMBL1258611,73000.0,CN(C)c1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1Br | |
| 176,CHEMBL487071,73200.0,Cc1cc(=O)oc2c(C)c3oc4c(c3cc12)CCC4 | |
| 591,CHEMBL1796807,73920.0,O=C(c1ccccc1)c1cc2cc(Br)cc(O)c2oc1=O | |
| 1652,CHEMBL3330342,74300.0,Cl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1 | |
| 1563,CHEMBL3299039,74500.0,CC1=C(/C=N/NC(N)=S)C(C)(C)CC=C1 | |
| 4892,CHEMBL5572853,74680.0,CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(Cc2ccccc2)no1 | |
| 654,CHEMBL1823533,74700.0,COc1ccc(C2OC(c3ccc(C)cc3)=NN2C(C)=O)cc1 | |
| 2222,CHEMBL3799754,74800.0,COn1c(-c2ccc(C)cc2)c(C=O)c2cc(C#N)c(C#N)cc21 | |
| 3520,CHEMBL4530202,75630.0,FC(F)(F)Cc1cc2c(N[C@H]3CC[C@@H](N[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1 | |
| 2031,CHEMBL3735553,75800.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccn2C(=O)OCc2ccccc2)cc1 | |
| 4678,CHEMBL5428196,76800.0,O=C(/C=C/c1cc2ccccc2c2ccccc12)c1ccccc1O | |
| 3769,CHEMBL4648330,77400.0,CC(=O)N1N=C(c2cc(O)c(O)c([N+](=O)[O-])c2)CC1c1ccco1 | |
| 5,CHEMBL347197,77600.0,CC/N=C1/CCc2c1n(C)c1ccccc21 | |
| 4668,CHEMBL5421797,78400.0,COc1ccc2cc(/C=C/C(=O)c3ccccc3O)ccc2c1 | |
| 2045,CHEMBL3741078,78860.0,O=C1CCOc2cc(O)ccc21 | |
| 2202,CHEMBL3787230,79000.0,c1ccc([C@@H]2C[C@H]2NCC2CCNCC2)cc1 | |
| 477,CHEMBL1257692,79000.0,COc1ccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1 | |
| 1075,CHEMBL2238456,79500.0,NCCCCCCNCC(N)=O | |
| 1802,CHEMBL3416434,80070.0,Cl.N[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 | |
| 2191,CHEMBL3780374,80200.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(N3CCOC3=O)c2)cc1 | |
| 4201,CHEMBL5177061,80260.0,COc1cc(S)c(/N=N/c2cccc(C#N)c2C#N)cc1OC | |
| 194,CHEMBL12208,80410.0,Cc1cc(=O)oc2cc(O)ccc12 | |
| 2190,CHEMBL3781125,80500.0,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1.Cl.Cl | |
| 50,CHEMBL536059,81000.0,C=C(CNN)c1ccc(F)cc1.Cl | |
| 1367,CHEMBL3108952,81000.0,Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1 | |
| 4329,CHEMBL5191047,81980.0,O=S(=O)(c1ccc2ccccc2c1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21 | |
| 4122,CHEMBL4857268,82300.0,Cc1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)cc1C | |
| 4008,CHEMBL4871614,82400.0,C#CCNC1CCc2c(SCCc3cccc(Cl)c3)cccc21 | |
| 25,CHEMBL291647,83000.0,COc1ccc(C2CC(c3ccc(O)cc3O)=NN2C(C)=O)cc1 | |
| 4246,CHEMBL3585822,83000.0,NNC(=O)CN1C(=O)c2ccccc2NC1c1ccc2c(c1)OCO2 | |
| 2041,CHEMBL3739891,83060.0,CCC(=O)N(O)C[C@H]1CN(c2ccc(N3CCN(C(C)=O)CC3)c(F)c2)C(=O)O1 | |
| 2226,CHEMBL3798815,83100.0,O=C1NC(=O)c2cc3c(cc21)cc(-c1ccccc1)n3O | |
| 3765,CHEMBL4645524,83200.0,CC(=O)N1N=C(c2cc(O)c(O)c([N+](=O)[O-])c2)CC1c1ccc(C#N)cc1 | |
| 3130,CHEMBL4294635,83400.0,CC(C)(C)c1cc(C(=O)CNC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O | |
| 475,CHEMBL1257570,84000.0,Clc1ccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1 | |
| 4586,CHEMBL5270106,84200.0,COc1ccc([Te]CC(C)N)cc1 | |
| 2186,CHEMBL3781125,84600.0,CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1.Cl.Cl | |
| 464,CHEMBL1253334,84640.0,COc1ccc(C2=NN(C(N)=S)CC2C)cc1 | |
| 1806,CHEMBL3416429,84700.0,Cl.N[C@@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 | |
| 4605,CHEMBL5416897,84830.0,Cc1cc(=O)oc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)c(O)ccc12 | |
| 496,CHEMBL1258500,85000.0,COc1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1 | |
| 3122,CHEMBL4278298,85100.0,CC(C)(C)c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O | |
| 3766,CHEMBL4646943,85200.0,CC(=O)N1N=C(c2cc(O)c(O)c([N+](=O)[O-])c2)CC1c1cccc(O)c1 | |
| 4018,CHEMBL4868641,85260.0,C#CCNC1CCc2c(SCCc3ccc(Br)cc3)cccc21 | |
| 4599,CHEMBL5434620,85890.0,Cc1cc(=O)oc2c(NC(=O)CCl)c(O)ccc12 | |
| 493,CHEMBL1258955,86000.0,COc1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1OC | |
| 4331,CHEMBL5196564,86160.0,O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21 | |
| 476,CHEMBL1257571,87000.0,Clc1ccccc1/C=N/Nc1nc2ccccc2nc1Cc1ccccc1 | |
| 5469,CHEMBL4564517,87000.0,Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3ccc(CN)s3)c2)cc1 | |
| 5444,CHEMBL4564517,87000.0,Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3ccc(CN)s3)c2)cc1 | |
| 3581,CHEMBL4564517,87000.0,Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3ccc(CN)s3)c2)cc1 | |
| 3160,CHEMBL4564517,87000.0,Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3ccc(CN)s3)c2)cc1 | |
| 471,CHEMBL1257340,87000.0,C(=N/Nc1nc2ccccc2nc1Cc1ccccc1)\c1ccc2c(c1)OCO2 | |
| 2739,CHEMBL4173338,87090.0,O=C(CCCCCCNC(=O)c1ccc(CNC2(c3ccccc3)CC2)cc1)NO | |
| 5463,CHEMBL5982091,88000.0,Cc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NC1CCOCC1 | |
| 5438,CHEMBL5982091,88000.0,Cc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NC1CCOCC1 | |
| 5311,CHEMBL5982091,88000.0,Cc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NC1CCOCC1 | |
| 5244,CHEMBL5982091,88000.0,Cc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NC1CCOCC1 | |
| 5293,CHEMBL5982091,88000.0,Cc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NC1CCOCC1 | |
| 5302,CHEMBL5982091,88000.0,Cc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NC1CCOCC1 | |
| 5381,CHEMBL5982091,88000.0,Cc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NC1CCOCC1 | |
| 213,CHEMBL564763,88000.0,COc1ccc(C2=NN(C(C)=O)CC2)cc1OC | |
| 3921,CHEMBL4785345,88300.0,c1ccc(-c2cnc3c4ncccc4nn3c2)cc1 | |
| 480,CHEMBL1257815,89000.0,C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 | |
| 22,CHEMBL63223,89000.0,CC(=O)N1N=C(c2ccc(O)cc2)CC1c1ccccc1Cl | |
| 1423,CHEMBL3133249,89040.0,COc1cc(/C=C/c2ccc(OCCN(C)Cc3ccccc3)cc2)cc(OC)c1 | |
| 3125,CHEMBL4278832,89100.0,CC(C)(C)c1cc(CCC(=O)NCC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O | |
| 3123,CHEMBL4280244,89200.0,CC(C)(C)c1cc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O | |
| 4328,CHEMBL5205837,89380.0,O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21 | |
| 5383,CHEMBL6016392,90000.0,Cc1nnc(NC(=O)c2ccc(C3CC3NCC3CC3)s2)s1 | |
| 5295,CHEMBL6016392,90000.0,Cc1nnc(NC(=O)c2ccc(C3CC3NCC3CC3)s2)s1 | |
| 5465,CHEMBL6016392,90000.0,Cc1nnc(NC(=O)c2ccc(C3CC3NCC3CC3)s2)s1 | |
| 49,CHEMBL553631,90000.0,C=C(CNN)c1ccccc1C.Cl | |
| 5246,CHEMBL6016392,90000.0,Cc1nnc(NC(=O)c2ccc(C3CC3NCC3CC3)s2)s1 | |
| 268,CHEMBL50,90000.0,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | |
| 4588,CHEMBL50,90000.0,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | |
| 5304,CHEMBL6016392,90000.0,Cc1nnc(NC(=O)c2ccc(C3CC3NCC3CC3)s2)s1 | |
| 5313,CHEMBL6016392,90000.0,Cc1nnc(NC(=O)c2ccc(C3CC3NCC3CC3)s2)s1 | |
| 5440,CHEMBL6016392,90000.0,Cc1nnc(NC(=O)c2ccc(C3CC3NCC3CC3)s2)s1 | |
| 2038,CHEMBL3741428,90880.0,O=C(C1CC1)N(O)C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | |
| 4284,CHEMBL2180144,91900.0,Clc1c2ccccc2nc2ccccc12 | |
| 214,CHEMBL550409,92000.0,COc1ccc(C2=NN(C(=S)Nc3ccccc3)C(c3cccs3)C2)cc1 | |
| 4289,CHEMBL5204890,92000.0,OC1c2ccccc2Oc2ccccc21 | |
| 3131,CHEMBL4279488,92100.0,CC(C)(C)c1cc(C(=O)CNCCC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O | |
| 1413,CHEMBL3133243,92430.0,CCCN(CCC)CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1 | |
| 394,CHEMBL1254623,92620.0,Cc1cc2cc(NC(=O)c3ccc[n+](C)c3)ccc2[nH]1.[Cl-] | |
| 5460,CHEMBL6026011,93000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N | |
| 5435,CHEMBL6026011,93000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N | |
| 5378,CHEMBL6026011,93000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N | |
| 5290,CHEMBL6026011,93000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N | |
| 5241,CHEMBL6026011,93000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N | |
| 5299,CHEMBL6026011,93000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N | |
| 5308,CHEMBL6026011,93000.0,Cc1ncc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N | |
| 3388,CHEMBL4543997,94020.0,CCN(CC)CCC(=O)c1cc2ccc(O)cc2oc1=O.Cl | |
| 833,CHEMBL506,94500.0,COc1cc(NC(C)CCCN)c2ncccc2c1 | |
| 3694,CHEMBL4517423,94700.0,C#CCN(C)Cc1nnn(C)c1CCCC | |
| 501,CHEMBL1256153,95000.0,c1ccc(Cc2nc3ccccc3n3cnnc23)cc1 | |
| 3514,CHEMBL4440500,95610.0,Fc1ccc([C@@H]2C[C@H]2NC2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1F | |
| 3048,CHEMBL4287563,95700.0,NC(=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 | |
| 5248,CHEMBL6056605,96000.0,Cc1ncc(NC(=O)c2csc([C@H]3C[C@H]3NCC3CCOCC3)c2)s1 | |
| 5297,CHEMBL5746541,96000.0,Cc1ncc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CCOCC3)c2)s1 | |
| 5306,CHEMBL5746541,96000.0,Cc1ncc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CCOCC3)c2)s1 | |
| 5442,CHEMBL5746541,96000.0,Cc1ncc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CCOCC3)c2)s1 | |
| 5385,CHEMBL5746541,96000.0,Cc1ncc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CCOCC3)c2)s1 | |
| 5467,CHEMBL5746541,96000.0,Cc1ncc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CCOCC3)c2)s1 | |
| 5315,CHEMBL5746541,96000.0,Cc1ncc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CCOCC3)c2)s1 | |
| 786,CHEMBL1938476,96100.0,COc1ccc(CCN2CC=CCC2)cc1 | |
| 3074,CHEMBL4277919,97500.0,O=C1/C(=C/c2ccc(OCCN3CCN(Cc4ccccc4)CC3)cc2)COc2ccccc21 | |
| 1416,CHEMBL3133239,97510.0,CCN(CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1cccc(F)c1 | |
| 5192,CHEMBL4107327,100000.0,c1ccc([C@H]2C[C@@H]2NC2CCC(N3CCOCC3)CC2)cc1 | |
| 5282,CHEMBL5825993,100000.0,N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc([C@H]3CC3NC3CCC(N)CC3)cc2)c1 | |
| 2408,CHEMBL4107327,100000.0,c1ccc([C@H]2C[C@@H]2NC2CCC(N3CCOCC3)CC2)cc1 | |
| 5264,CHEMBL4110798,100000.0,CCNC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5193,CHEMBL4106824,100000.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 21,CHEMBL293004,100000.0,COc1ccccc1C1CC(c2ccc(O)cc2)=NN1C(C)=O | |
| 5470,CHEMBL4473978,100000.0,NCc1ccc(S(=O)(=O)c2ccccn2)s1 | |
| 5265,CHEMBL4107327,100000.0,c1ccc([C@H]2C[C@@H]2NC2CCC(N3CCOCC3)CC2)cc1 | |
| 5266,CHEMBL4106824,100000.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 2402,CHEMBL4110912,100000.0,NCC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5314,CHEMBL5849999,100000.0,O=C(NC1CCC(F)(F)CC1)c1csc([C@@H]2C[C@H]2NC2CCOCC2)c1 | |
| 5305,CHEMBL5849999,100000.0,O=C(NC1CCC(F)(F)CC1)c1csc([C@@H]2C[C@H]2NC2CCOCC2)c1 | |
| 2401,CHEMBL4113798,100000.0,CC1(N)CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5226,CHEMBL5844456,100000.0,Fc1ccc(C2CC2NC2CCNCC2)cc1F | |
| 5276,CHEMBL4110837,100000.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cc2)CC1 | |
| 5296,CHEMBL5849999,100000.0,O=C(NC1CCC(F)(F)CC1)c1csc([C@@H]2C[C@H]2NC2CCOCC2)c1 | |
| 5283,CHEMBL5952665,100000.0,Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc([C@H]4CC4NC4CCC(N)CC4)cc3)c2)cn1 | |
| 5258,CHEMBL4113798,100000.0,CC1(N)CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5384,CHEMBL5849999,100000.0,O=C(NC1CCC(F)(F)CC1)c1csc([C@@H]2C[C@H]2NC2CCOCC2)c1 | |
| 5441,CHEMBL5849999,100000.0,O=C(NC1CCC(F)(F)CC1)c1csc([C@@H]2C[C@H]2NC2CCOCC2)c1 | |
| 1925,CHEMBL58343,100000.0,NCCCCN=C(N)N | |
| 5445,CHEMBL4473978,100000.0,NCc1ccc(S(=O)(=O)c2ccccn2)s1 | |
| 5466,CHEMBL5849999,100000.0,O=C(NC1CCC(F)(F)CC1)c1csc([C@@H]2C[C@H]2NC2CCOCC2)c1 | |
| 5189,CHEMBL4114538,100000.0,CNC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5191,CHEMBL4110798,100000.0,CCNC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5262,CHEMBL4114538,100000.0,CNC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5240,CHEMBL5876611,100000.0,c1cncc(-c2ccc([C@H]3C[C@@H]3NCC3CCNCC3)cc2)c1 | |
| 5232,CHEMBL5897363,100000.0,COc1ccc(NS(C)(=O)=O)cc1-c1ccc([C@H]2C[C@@H]2NC2CCNCC2)cc1 | |
| 5259,CHEMBL4110912,100000.0,NCC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5281,CHEMBL3942207,100000.0,N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ncc([C@H]3C[C@@H]3NC3CCC(N)CC3)s2)c1 | |
| 5227,CHEMBL6048482,100000.0,COc1ccc(C2CC2NC2CCNCC2)cc1 | |
| 5247,CHEMBL5933650,100000.0,O=C(NC1CCC(F)(F)CC1)c1csc([C@H]2C[C@H]2NC2CCOCC2)c1 | |
| 3362,CHEMBL4436402,100000.0,c1cc(C/N=C2\C3C4CC5C6C4C2C6C2(OCCO2)C53)ccc1C/N=C1/C2C3CC4C5C3C1C5C1(OCCO1)C42 | |
| 3366,CHEMBL4561709,100000.0,Nc1ccc(CNC23OC4C5C6CC(C7C6C4C72)C53)cc1 | |
| 5510,CHEMBL4473978,100000.0,NCc1ccc(S(=O)(=O)c2ccccn2)s1 | |
| 2407,CHEMBL4110798,100000.0,CCNC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5225,CHEMBL6051119,100000.0,c1ccc([C@H]2C[C@@H]2NC2CC3(CCNCC3)C2)cc1 | |
| 2409,CHEMBL4106824,100000.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 2405,CHEMBL4114538,100000.0,CNC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5209,CHEMBL4107337,100000.0,N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cc2)c1 | |
| 5186,CHEMBL4110912,100000.0,NCC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 3582,CHEMBL4473978,100000.0,NCc1ccc(S(=O)(=O)c2ccccn2)s1 | |
| 2424,CHEMBL3942207,100000.0,N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ncc([C@H]3C[C@@H]3NC3CCC(N)CC3)s2)c1 | |
| 3089,CHEMBL4279111,100000.0,Cc1ccc2oc(-c3ccc(Br)cc3)cc2c1 | |
| 2426,CHEMBL4114223,100000.0,Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc([C@H]4C[C@@H]4NC4CCC(N)CC4)cc3)c2)cn1 | |
| 2425,CHEMBL4107337,100000.0,N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cc2)c1 | |
| 2419,CHEMBL4110837,100000.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cc2)CC1 | |
| 5086,CHEMBL58343,100000.0,NCCCCN=C(N)N | |
| 5210,CHEMBL4114223,100000.0,Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc([C@H]4C[C@@H]4NC4CCC(N)CC4)cc3)c2)cn1 | |
| 5208,CHEMBL3942207,100000.0,N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ncc([C@H]3C[C@@H]3NC3CCC(N)CC3)s2)c1 | |
| 5203,CHEMBL4110837,100000.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cc2)CC1 | |
| 5185,CHEMBL4113798,100000.0,CC1(N)CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 2035,CHEMBL3741033,100020.0,CCC(=O)N(O)C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | |
| 4433,CHEMBL5274732,101800.0,CC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cc(Cl)ccc1O | |
| 4842,CHEMBL228430,103000.0,Oc1c(O)c(Br)c(COCc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br | |
| 3699,CHEMBL4525342,104700.0,C#CCN(C)Cc1nnn(CC)c1C | |
| 2037,CHEMBL3739655,107310.0,CC(C)C(=O)N(O)C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | |
| 942,CHEMBL2088318,108000.0,Cn1c(=O)c2c(nc(CCSc3ccccc3)n2C)n(C)c1=O | |
| 2036,CHEMBL3740096,108090.0,CC(C)OC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(=O)C(C)C | |
| 4292,CHEMBL17594,110000.0,O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21 | |
| 2042,CHEMBL3741844,110650.0,CC(=O)N1CCN(c2ccc(N3C[C@H](CN(C(=O)OC4CC4)C(=O)C4CC4)OC3=O)cc2F)CC1 | |
| 3709,CHEMBL4554404,111000.0,COc1ccccc1CN1CCn2c1nc1c2c(=O)n(C)c(=O)n1C | |
| 1562,CHEMBL3299038,111000.0,CC1=C(/C=N/NC(N)=O)C(C)(C)CC=C1 | |
| 2372,CHEMBL3966734,111900.0,Clc1ccccc1-c1nc2ccc(N3CCCC3)nc2o1 | |
| 5156,CHEMBL3966734,111900.0,Clc1ccccc1-c1nc2ccc(N3CCCC3)nc2o1 | |
| 4281,CHEMBL43184,112000.0,Nc1c2ccccc2nc2ccccc12 | |
| 2032,CHEMBL3742038,112130.0,O=C1O[C@@H](CNO)CN1c1ccc(N2CCOCC2)c(F)c1 | |
| 5091,CHEMBL3660721,114002.0,CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4cncnc4)ccc3c2=O)cc1 | |
| 1965,CHEMBL3660721,114002.0,CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4cncnc4)ccc3c2=O)cc1 | |
| 531,CHEMBL1642682,115000.0,Cl.Nc1cccc(CCc2ccccc2)c1 | |
| 506,CHEMBL1269737,115920.0,NCc1cn(-c2ccncc2)nn1 | |
| 1564,CHEMBL3299040,117000.0,CC1=C(/C=N/N(C)C(N)=S)C(C)(C)CC=C1 | |
| 3398,CHEMBL4467621,119300.0,Cc1cc(O)cc2oc(=O)c(C(=O)CCN3CCCCC3)cc12.Cl | |
| 24,CHEMBL418480,120000.0,CC(=O)N1N=C(c2ccc(O)cc2O)CC1c1ccc(Cl)cc1 | |
| 57,CHEMBL255231,120000.0,C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21 | |
| 4137,CHEMBL4852803,121000.0,Cc1c(C(=O)CC2CCNCC2)[nH]c2ccccc12 | |
| 4636,CHEMBL5429881,122000.0,C#CCN(C)CCCOc1cc(C)c(Cl)cc1Cl | |
| 946,CHEMBL2088322,124000.0,Cn1c(=O)c2c(nc(CCSc3ccc(Br)cc3)n2C)n(C)c1=O | |
| 3768,CHEMBL4646544,126000.0,CC(=O)N1N=C(c2cc(O)c(O)c([N+](=O)[O-])c2)CC1c1ccoc1 | |
| 2040,CHEMBL3741609,127150.0,CCOC(=O)N(C[C@H]1CN(c2ccc(N3CCN(C(C)=O)CC3)c(F)c2)C(=O)O1)C(=O)CC | |
| 1561,CHEMBL446785,128000.0,CC(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O | |
| 2288,CHEMBL3923134,128200.0,C#CCN1C(=O)C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3F)ccc21 | |
| 3688,CHEMBL4583494,129000.0,C#CCN(C)Cc1cn(Cc2ccccc2)nn1 | |
| 4558,CHEMBL449796,130000.0,C/C=C(\C=O)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC | |
| 29,CHEMBL303112,130000.0,COc1ccccc1C1CC(c2ccc(O)cc2O)=NN1C(C)=O | |
| 2826,CHEMBL4169228,130675.0,Clc1ccc(-c2csc(N/N=C/c3ccc(N4CCCC4)cc3)n2)c(Cl)c1 | |
| 1024,CHEMBL2206101,131000.0,Cn1c(=O)c2c(nc([S+]([O-])Cc3ccccc3)n2C)n(C)c1=O | |
| 3566,CHEMBL4459254,132400.0,CC1(C)C(=O)Nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc21 | |
| 2821,CHEMBL4165030,133362.0,Clc1ccc(-c2csc(N/N=C/c3ccc(N4CCOCC4)cc3)n2)c(Cl)c1 | |
| 653,CHEMBL277294,134000.0,O=C1NC(=O)c2ccccc21 | |
| 3695,CHEMBL4540147,134200.0,C#CCN(C)CCc1nnn(C(C)c2ccccc2)c1C | |
| 530,CHEMBL1642681,135000.0,Cl.Nc1ccc(CCc2ccccc2)cc1 | |
| 4431,CHEMBL5284058,138000.0,COCc1cccc(NC(=O)c2cc3ccccc3n2C)c1COc1ccc(OC2CCNCC2)cc1 | |
| 4830,CHEMBL5284058,138000.0,COCc1cccc(NC(=O)c2cc3ccccc3n2C)c1COc1ccc(OC2CCNCC2)cc1 | |
| 215,CHEMBL541477,140000.0,COc1ccc(OC)c(C2=NN(C(C)=O)CC2)c1 | |
| 533,CHEMBL1642683,140000.0,Nc1cccc(Oc2ccccc2)c1 | |
| 2827,CHEMBL4162358,141041.0,Fc1ccc(-c2csc(N/N=C/c3ccc(N4CCCC4)cc3)n2)c(F)c1 | |
| 3240,CHEMBL887,147300.0,C#CCN[C@@H]1CCc2ccccc21 | |
| 4841,CHEMBL470234,151000.0,OCc1c(Br)c(O)c(O)c(Br)c1Br | |
| 3389,CHEMBL4475218,151100.0,Cl.O=C(CCN1CCOCC1)c1cc2ccc(O)cc2oc1=O | |
| 2039,CHEMBL3741610,153070.0,COC(=O)N(C[C@H]1CN(c2ccc(N3CCN(C(C)=O)CC3)c(F)c2)C(=O)O1)C(C)=O | |
| 3691,CHEMBL4555401,155500.0,C#CCN(C)CCc1nnn(-c2ccccc2)c1CCCC | |
| 3692,CHEMBL4550073,156800.0,C#CCN(C)CCc1nnn(-c2ccccc2)c1CCC | |
| 1733,CHEMBL3407589,164700.0,C#CCN(C)Cc1cc2cc(OCc3ccc(OC)c4ncccc34)ccc2[nH]1 | |
| 2034,CHEMBL3742204,167980.0,CCOC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(=O)CC | |
| 1566,CHEMBL3299042,168000.0,CC1=C(/C=N/N=C2/NC(=O)CS2)C(C)(C)CC=C1 | |
| 3696,CHEMBL4539821,172800.0,C#CCN(C)CCc1cn(CCc2ccccc2)nn1 | |
| 7,CHEMBL348607,175000.0,CCCCNC(=O)Oc1ccc2c(c1Br)c1c(n2C)/C(=N\C)CC1 | |
| 392,CHEMBL1254551,175940.0,Cc1cc2cc(NC(=O)c3cccc(S(=O)(=O)O)c3)ccc2[nH]1 | |
| 5456,CHEMBL6054320,177300.0,FC1(CNC2CC2c2ccccc2)CCCCC1 | |
| 1489,CHEMBL402456,182000.0,c1ccc(NCc2ccccn2)cc1 | |
| 3573,CHEMBL4560276,184100.0,CCn1c(=O)[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc21 | |
| 3563,CHEMBL4458596,190100.0,O=C1Cc2cc(OCCc3ccc(F)cc3)ccc2N1 | |
| 3576,CHEMBL4577822,190500.0,CCn1c(=O)[nH]c2ccc(OCCOc3cccc(F)c3)cc21 | |
| 1287,CHEMBL2430710,201000.0,O=C1CCc2cc(O)ccc2N1 | |
| 3693,CHEMBL4553398,213400.0,C#CCN(C)CCc1nnn(-c2ccccc2)c1CC | |
| 1567,CHEMBL3299043,215000.0,CC1=C(/C=N/N=C2\SCC(=O)N2Cc2ccccc2)C(C)(C)CC=C1 | |
| 4051,CHEMBL396778,223500.0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O | |
| 1565,CHEMBL3299041,224000.0,CC1=C(/C=N/NC(=S)Nc2ccccc2)C(C)(C)CC=C1 | |
| 624,CHEMBL1061,225000.0,O=C1NC(=O)C(Cc2ccc(O)cc2)S1 | |
| 4893,CHEMBL5574783,225480.0,CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2)no1 | |
| 4434,CHEMBL5274387,226100.0,Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c2)cc1 | |
| 156,CHEMBL468855,230000.0,COc1ccc([C@@]2(F)C[C@@H]2N)cc1OC | |
| 499,CHEMBL1258718,230000.0,O=C(c1ccccc1)c1nc2ccccc2n2c(-c3ccc([N+](=O)[O-])cc3)nnc12 | |
| 3698,CHEMBL4576759,237600.0,C#CCN(C)CCc1nnn(CC)c1C | |
| 494,CHEMBL1258839,240000.0,O=C(c1ccccc1)c1nc2ccccc2n2c(-c3ccccc3)nnc12 | |
| 216,CHEMBL558263,240000.0,C=CCNC(=S)N1N=C(c2ccc(C)cc2)CC1c1cccs1 | |
| 5273,CHEMBL3965283,241000.0,N[C@H]1CC[C@@H](N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 | |
| 3701,CHEMBL4527642,248600.0,C#CCN(C)Cc1cn(CC)nn1 | |
| 472,CHEMBL1257341,260000.0,COc1cc(/C(C)=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc(OC)c1OC | |
| 178,CHEMBL487236,260000.0,COc1c2ccc(=O)oc2cc2occ(C)c12 | |
| 4895,CHEMBL1201035,265850.0,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2 | |
| 790,CHEMBL1938480,271900.0,O=[N+]([O-])c1ccc(CCN2CC=CCC2)cc1 | |
| 634,CHEMBL1814647,272900.0,O=C(O)C(Cc1ccc(O)cc1)N1C(=O)CSC1=S | |
| 1732,CHEMBL3407590,273100.0,C#CCN(C)Cc1cc2cc(OCc3ccc(OC(=O)N(C)C)c4ncccc34)ccc2n1C | |
| 3575,CHEMBL4551886,277600.0,CCn1c(=O)[nH]c2ccc(OCCOc3ccc(C(C)C)cc3)cc21 | |
| 3565,CHEMBL4445270,279000.0,CC1(C)C(=O)Nc2ccc(OCc3cccc(Cl)c3)cc21 | |
| 473,CHEMBL1257451,280000.0,COc1ccc(/C(C)=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1 | |
| 2626,CHEMBL9352,288000.0,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 | |
| 4570,CHEMBL9352,288000.0,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 | |
| 4894,CHEMBL5568989,289240.0,CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2N)no1 | |
| 4435,CHEMBL5270254,297500.0,O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 | |
| 532,CHEMBL249550,303000.0,Nc1ccc(Oc2ccccc2)cc1 | |
| 633,CHEMBL1814646,308900.0,CC(=O)c1ccc(CC2SC(=N)NC2=O)cc1 | |
| 11,CHEMBL346766,317000.0,C/N=C1/CCc2c1n(C)c1ccccc21 | |
| 474,CHEMBL1257452,320000.0,C(=N/Nc1nc2ccccc2nc1Cc1ccccc1)\c1ccccc1 | |
| 4436,CHEMBL5283677,344400.0,Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3ccc(O)cc3)c2)cc1 | |
| 4638,CHEMBL5426083,352000.0,C#CCN(C)CCCOc1cc(NC(C)=O)c(Cl)cc1Cl | |
| 3029,CHEMBL4237226,360579.0,COC(=O)c1ccc(COc2ccc(C[C@@H](C)N(C)CC(=O)O)cc2)cc1 | |
| 3567,CHEMBL326294,368400.0,O=C1Nc2ccccc2C1=O | |
| 3700,CHEMBL4529704,373900.0,C#CCN(C)CCc1cn(CC)nn1 | |
| 495,CHEMBL1258499,380000.0,O=C(c1ccccc1)c1nc2ccccc2n2c(-c3ccccc3Cl)nnc12 | |
| 3,CHEMBL157182,395000.0,C/N=C1/CCc2c1n(C)c1cc(Cl)c(OC(=O)NC)cc21 | |
| 3564,CHEMBL4572841,396600.0,CC(C)C1C(=O)Nc2ccc(OCc3cccc(F)c3)cc21 | |
| 4134,CHEMBL4865864,412000.0,C=C[C@H]1CNCC[C@H]1CC(=O)c1[nH]c2ccccc2c1CCO | |
| 2825,CHEMBL4177405,425858.0,Fc1ccc(-c2csc(N/N=C/c3ccc(N4CCCC4)cc3)n2)cc1 | |
| 470,CHEMBL1257220,460000.0,COc1ccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1OC | |
| 155,CHEMBL500248,470000.0,COc1ccc([C@@]2(F)C[C@H]2N)cc1OC | |
| 4135,CHEMBL4865840,488000.0,C=C[C@@H]1CNCC[C@@H]1CC(=O)c1[nH]c2ccccc2c1CCO | |
| 1888,CHEMBL1797639,500000.0,NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 | |
| 4080,CHEMBL1797639,500000.0,NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 | |
| 503,CHEMBL1269719,510840.0,NCc1cn(-c2ccccc2)nn1 | |
| 2818,CHEMBL4168446,557921.0,Clc1ccc(-c2csc(N/N=C/c3ccc(N4CCOCC4)cc3)n2)cc1 | |
| 626,CHEMBL1823810,604300.0,O=C(O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S | |
| 485,CHEMBL1258159,740000.0,C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(C)cc1 | |
| 2824,CHEMBL4163498,760721.0,Clc1ccc(-c2csc(N/N=C/c3ccc(N4CCCC4)cc3)n2)cc1 | |
| 793,CHEMBL75228,761500.0,c1ccc(CCN2CCCCC2)cc1 | |
| 469,CHEMBL1257219,790000.0,COc1ccccc1/C=N/Nc1nc2ccccc2nc1Cc1ccccc1 | |
| 1299,CHEMBL2334497,790700.0,CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3ccccc3F)nn2)CC1 | |
| 788,CHEMBL1938478,812500.0,C1=CCN(CCCc2ccccc2)CC1 | |
| 484,CHEMBL1258042,850000.0,C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1cccs1 | |
| 191,CHEMBL519426,856000.0,COc1c(OC2CCCC2=O)ccc2ccc(=O)oc12 | |
| 489,CHEMBL1258387,860000.0,Cc1ccsc1/C=N/Nc1nc2ccccc2nc1Cc1ccccc1 | |
| 486,CHEMBL1258160,860000.0,C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(N)cc1 | |
| 482,CHEMBL1257933,880000.0,CN(C)c1ccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1 | |
| 500,CHEMBL1258719,940000.0,O=C(c1ccccc1)c1nc2ccccc2n2cnnc12 | |
| 490,CHEMBL1256152,950000.0,C=NNc1nc2ccccc2nc1Cc1ccccc1 | |
| 487,CHEMBL1258274,960000.0,O=[N+]([O-])c1ccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1 | |
| 478,CHEMBL1257693,980000.0,C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1 | |
| 483,CHEMBL1258041,980000.0,C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccn1 | |
| 491,CHEMBL1258388,980000.0,c1ccc(Cc2nc3ccccc3n3c(-c4ccccc4)nnc23)cc1 | |
| 4233,CHEMBL3408926,980000.0,C/C(=N\NC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)c1ccc(O)cc1 | |
| 784,CHEMBL1938474,1184400.0,C1=CCN(CCc2ccccc2)CC1 | |
| 792,CHEMBL1938482,1245100.0,CC1=CCN(CCc2ccccc2)CC1 | |
| 1487,CHEMBL3219617,1300000.0,C(=N/c1ccccc1)\c1ccccn1 | |
| 787,CHEMBL1938477,1362900.0,COc1ccc(CCN2CC=CCC2)cc1OC | |
| 5167,CHEMBL3969283,1900000.0,c1ccc(CNc2ccc3nc(-c4ccccc4)sc3n2)cc1 | |
| 2383,CHEMBL3969283,1900000.0,c1ccc(CNc2ccc3nc(-c4ccccc4)sc3n2)cc1 | |
| 4127,CHEMBL8706,2212000.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 785,CHEMBL1938475,5265900.0,Fc1ccc(CCN2CC=CCC2)cc1 | |
| 791,CHEMBL1938481,6536800.0,C1=CCN(Cc2ccccc2)CC1 | |
| 497,CHEMBL1258610,7300000.0,CN(C)c1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1 | |
| 481,CHEMBL1257932,7900000.0,Oc1ccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1 | |
| 479,CHEMBL1257814,8400000.0,C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1 | |
| 5404,CHEMBL6018761,8776000.0,CC(=O)N1CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 5352,CHEMBL4110798,8776000.0,CCNC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5370,CHEMBL5825993,8776000.0,N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc([C@H]3CC3NC3CCC(N)CC3)cc2)c1 | |
| 5347,CHEMBL4110912,8776000.0,NCC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5426,CHEMBL5897363,8776000.0,COc1ccc(NS(C)(=O)=O)cc1-c1ccc([C@H]2C[C@@H]2NC2CCNCC2)cc1 | |
| 5428,CHEMBL6018761,8776000.0,CC(=O)N1CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 5421,CHEMBL6048482,8776000.0,COc1ccc(C2CC2NC2CCNCC2)cc1 | |
| 5419,CHEMBL6051119,8776000.0,c1ccc([C@H]2C[C@@H]2NC2CC3(CCNCC3)C2)cc1 | |
| 5420,CHEMBL5844456,8776000.0,Fc1ccc(C2CC2NC2CCNCC2)cc1F | |
| 5434,CHEMBL5876611,8776000.0,c1cncc(-c2ccc([C@H]3C[C@@H]3NCC3CCNCC3)cc2)c1 | |
| 5369,CHEMBL3942207,8776000.0,N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ncc([C@H]3C[C@@H]3NC3CCC(N)CC3)s2)c1 | |
| 5402,CHEMBL5897363,8776000.0,COc1ccc(NS(C)(=O)=O)cc1-c1ccc([C@H]2C[C@@H]2NC2CCNCC2)cc1 | |
| 5356,CHEMBL3921314,8776000.0,NC1CCC(NC2CC2c2ccc3ccccc3c2)CC1 | |
| 5368,CHEMBL4110561,8776000.0,Cc1ccc(-c2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)cc1O | |
| 5397,CHEMBL6048482,8776000.0,COc1ccc(C2CC2NC2CCNCC2)cc1 | |
| 5371,CHEMBL5952665,8776000.0,Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc([C@H]4CC4NC4CCC(N)CC4)cc3)c2)cn1 | |
| 5377,CHEMBL4114573,8776000.0,N#Cc1cccc(Nc2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)c1 | |
| 5364,CHEMBL4110837,8776000.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cc2)CC1 | |
| 5353,CHEMBL4107327,8776000.0,c1ccc([C@H]2C[C@@H]2NC2CCC(N3CCOCC3)CC2)cc1 | |
| 5410,CHEMBL5876611,8776000.0,c1cncc(-c2ccc([C@H]3C[C@@H]3NCC3CCNCC3)cc2)c1 | |
| 5346,CHEMBL4113798,8776000.0,CC1(N)CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5354,CHEMBL4106824,8776000.0,NC1CCC(N[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 | |
| 5395,CHEMBL6051119,8776000.0,c1ccc([C@H]2C[C@@H]2NC2CC3(CCNCC3)C2)cc1 | |
| 5396,CHEMBL5844456,8776000.0,Fc1ccc(C2CC2NC2CCNCC2)cc1F | |
| 5350,CHEMBL4114538,8776000.0,CNC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 | |
| 5357,CHEMBL3955397,8776000.0,CC1(c2ccccc2)CC1NC1CCC(N)CC1 | |
| 502,CHEMBL8706,9400000.0,C#CCN(C)CCCOc1ccc(Cl)cc1Cl | |
| 5168,CHEMBL2418201,52000000.0,CN(Cc1ccccc1)c1ccc2nc(-c3ccccc3)oc2n1 | |
| 2384,CHEMBL2418201,52000000.0,CN(Cc1ccccc1)c1ccc2nc(-c3ccccc3)oc2n1 | |