id large_string | sequence large_string | smiles large_string | selfies large_string | source large_string | is_natural bool | label large list | fold int64 | aaindex1 large list |
|---|---|---|---|---|---|---|---|---|
TPD12583 | GCRRLCWKQRCVTYCRGR | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](... | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O... | TPDB | true | [
"unknown"
] | 0 | [
4.385555555555555,
0.8888888888888888,
0.9238888888888889,
0.8783333333333333,
0.9527777777777777,
0.9050000000000001,
0.8566666666666666,
0.8533333333333335,
0.7644444444444445,
0.8000000000000002,
0.8272222222222221,
0.9911111111111109,
0.9983333333333333,
1.0150000000000001,
0.9077777... |
TPD12585 | GCRRLCYKQRCVTWCRGR | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](... | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O... | TPDB | true | [
"unknown"
] | 1 | [
4.385555555555555,
0.8888888888888891,
0.9238888888888889,
0.8783333333333333,
0.9527777777777777,
0.9050000000000001,
0.8566666666666666,
0.8533333333333333,
0.7644444444444445,
0.8000000000000002,
0.8272222222222221,
0.9911111111111109,
0.9983333333333333,
1.0150000000000001,
0.9077777... |
TPD12587 | GCRRLCYRQRCVTYCRGR | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](... | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O... | TPDB | true | [
"unknown"
] | 1 | [
4.381111111111111,
0.8155555555555556,
0.9105555555555553,
0.8727777777777777,
0.9666666666666666,
0.9216666666666666,
0.8411111111111109,
0.8733333333333335,
0.7533333333333334,
0.7833333333333334,
0.815,
0.9622222222222222,
0.9955555555555556,
1.0550000000000002,
0.9494444444444444,
... |
TPD12591 | GCRVYGFKIHGCG | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C]... | TPDB | true | [
"unknown"
] | 1 | [
4.285384615384616,
0.9400000000000002,
0.8607692307692308,
0.8730769230769229,
1.0246153846153845,
1.0015384615384617,
0.993076923076923,
0.8815384615384616,
0.7938461538461539,
0.7223076923076925,
0.7553846153846154,
0.7815384615384615,
0.8599999999999999,
0.736923076923077,
0.738461538... |
TPD12645 | GDGDIMKGIAGH | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][... | TPDB | true | [
"unknown"
] | 4 | [
4.263333333333334,
0.7658333333333333,
0.7650000000000001,
0.9216666666666665,
1.1033333333333333,
1.0858333333333334,
1.18,
1.0825000000000002,
0.9966666666666667,
0.8758333333333334,
0.9841666666666667,
0.9158333333333334,
0.9566666666666667,
0.8666666666666668,
0.8641666666666667,
0... |
TPD1267 | AGYLLGHINLHHLAHLHHILC | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=... | TPDB | true | [
"unknown"
] | 4 | [
4.349523809523809,
1.0309523809523808,
1.428095238095238,
1.3904761904761902,
1.0195238095238093,
0.9361904761904764,
1.11,
0.9476190476190477,
0.8119047619047619,
0.829047619047619,
0.9952380952380951,
1.0066666666666666,
1.0666666666666669,
0.9614285714285716,
0.9790476190476189,
1.0... |
TPD12678 | GDLVTYF | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C]... | TPDB | true | [
"unknown"
] | 2 | [
4.351428571428572,
1.0471428571428572,
1.1485714285714284,
1.207142857142857,
1.0271428571428574,
1.0014285714285713,
1.0214285714285714,
1.0371428571428571,
1.03,
0.8500000000000002,
0.9357142857142858,
0.9457142857142858,
0.927142857142857,
0.8671428571428572,
0.9342857142857142,
0.8... |
TPD1268 | AGYLLGKINLKALAALAKKIL | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][S][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O]... | TPDB | true | [
"unknown"
] | 4 | [
4.257142857142857,
1.1119047619047617,
1.4295238095238094,
1.50047619047619,
0.9928571428571428,
0.9700000000000001,
1.0076190476190476,
0.8747619047619049,
0.8128571428571427,
0.9423809523809523,
0.932857142857143,
1.1538095238095238,
1.2476190476190476,
1.2971428571428572,
1.1561904761... |
TPD12713 | GDVIDTDRDIDR | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Bra... | TPDB | true | [
"antiangiogenesis"
] | 2 | [
4.394166666666667,
0.7816666666666667,
0.49666666666666665,
0.6341666666666667,
1.1116666666666666,
1.0175000000000003,
1.115,
1.2375000000000003,
1.17,
1.0000000000000002,
1.1375,
0.9975,
0.9141666666666667,
0.9975000000000002,
1.0616666666666668,
0.9683333333333333,
0.8250000000000... |
TPD12720 | GDVWLFLTSTSHFAR | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][... | TPDB | true | [
"unknown"
] | 1 | [
4.406666666666667,
0.908,
1.2053333333333334,
1.2426666666666664,
0.9706666666666666,
0.9786666666666667,
1.028,
1.0113333333333332,
1.0166666666666666,
0.8886666666666668,
0.9886666666666666,
1.0439999999999998,
0.9846666666666668,
0.9533333333333334,
0.9646666666666667,
1.00066666666... |
TPD1273 | AGYLLGKTNLKALAALAKKIL | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][S][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][... | TPDB | true | [
"unknown"
] | 0 | [
4.276190476190476,
1.0085714285714282,
1.4004761904761902,
1.464285714285714,
0.9833333333333333,
0.9661904761904763,
1.0114285714285716,
0.8904761904761904,
0.8428571428571429,
0.9285714285714286,
0.9461904761904764,
1.1333333333333333,
1.2085714285714286,
1.2785714285714285,
1.13142857... |
TPD12751 | GEFLKCGESCVQGECYTPGCSCDWPICKKN | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C... | TPDB | true | [
"unknown"
] | 3 | [
4.395666666666667,
0.9249999999999999,
0.933,
0.85,
0.9700000000000002,
0.9303333333333332,
0.9526666666666668,
0.9593333333333333,
0.8833333333333334,
0.9536666666666667,
0.9166666666666669,
0.8446666666666665,
0.8170000000000001,
0.8116666666666668,
0.7900000000000001,
0.801333333333... |
TPD12769 | GEIIMQNNW | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][B... | TPDB | true | [
"unknown"
] | 0 | [
4.361111111111111,
0.9922222222222222,
0.9022222222222224,
1.031111111111111,
1.0044444444444445,
1.0077777777777779,
1.0011111111111113,
1.011111111111111,
1.001111111111111,
1.0977777777777777,
1.0155555555555553,
1.1677777777777778,
1.1677777777777776,
0.9977777777777777,
0.9944444444... |
TPD12784 | GEKLKKIGKKIKNFFQKL | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][... | TPDB | true | [
"unknown"
] | 0 | [
4.301666666666667,
1.1255555555555556,
0.8744444444444446,
0.9200000000000002,
1.0483333333333333,
1.0283333333333335,
0.9955555555555554,
0.8722222222222223,
0.8983333333333332,
1.0327777777777778,
0.9077777777777778,
1.0077777777777779,
1.191111111111111,
1.0994444444444444,
1.07500000... |
TPD12786 | GEKLKKIGQKIKNFFKKL | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][... | TPDB | true | [
"unknown"
] | 4 | [
4.301666666666666,
1.1255555555555556,
0.8744444444444446,
0.9200000000000002,
1.0483333333333333,
1.0283333333333335,
0.9955555555555554,
0.8722222222222223,
0.8983333333333332,
1.0327777777777778,
0.907777777777778,
1.0077777777777779,
1.191111111111111,
1.0994444444444444,
1.075000000... |
TPD12793 | GELALKKKI | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][... | TPDB | true | [
"unknown"
] | 2 | [
4.220000000000001,
1.097777777777778,
1.0966666666666667,
1.1544444444444446,
1.0655555555555558,
0.9922222222222223,
1.0222222222222221,
0.8655555555555555,
0.83,
1.1033333333333333,
0.9966666666666667,
1.1522222222222223,
1.251111111111111,
1.2888888888888888,
1.1833333333333331,
1.1... |
TPD12831 | GETCFGGTCNTPGCTCDPWPVCTRNGLPVC | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O... | [C][C][Branch1][C][C][C][C@H1][Branch3][Ring1][Branch1][=Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][C][Branch1][N][C][=Branch1... | TPDB | true | [
"unknown"
] | 4 | [
4.387333333333333,
0.8436666666666668,
0.9990000000000002,
0.9250000000000003,
0.9539999999999998,
0.9280000000000002,
0.9530000000000002,
1.0186666666666664,
0.9506666666666671,
0.8430000000000002,
0.838,
0.7293333333333332,
0.6503333333333333,
0.6516666666666667,
0.6353333333333335,
... |
TPD12839 | GEVHPSEMI | CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C]... | TPDB | true | [
"unknown"
] | 1 | [
4.282222222222223,
0.9266666666666666,
0.8833333333333333,
0.9677777777777778,
1.0966666666666667,
1.06,
1.0533333333333332,
1.0255555555555556,
0.9433333333333334,
1.2422222222222221,
1.1355555555555557,
1.0422222222222224,
1.021111111111111,
0.9555555555555555,
1.018888888888889,
1.0... |
TPD12847 | GEWYNQTKDLQQKFYEIIMDIEQNNVQGKKGIQQL | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][=N][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Bra... | TPDB | true | [
"unknown"
] | 3 | [
4.345714285714286,
0.8639999999999999,
0.8065714285714283,
0.8522857142857144,
1.0314285714285714,
0.9951428571428569,
0.9954285714285713,
1.0054285714285711,
0.9934285714285718,
1.1134285714285714,
1.1002857142857145,
1.1122857142857143,
1.147142857142857,
1.0228571428571427,
1.10257142... |
TPD12850 | GF | NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O | [N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] | TPDB | true | [
"unknown"
] | 2 | [
4.315,
1.045,
1.225,
1.325,
1.12,
1.185,
1.105,
1.01,
0.97,
0.7250000000000001,
0.825,
0.8300000000000001,
0.8799999999999999,
0.64,
0.72,
0.575,
0.8350000000000001,
0.71,
0.5,
0.97,
1.8900000000000001,
1.065,
0.905,
1.01,
0.245,
0.079,
-0.478,
-0.7355,
-0.379... |
TPD1286 | AHAVELLA | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O... | TPDB | true | [
"unknown"
] | 2 | [
4.282500000000001,
0.9112500000000001,
1.4375,
1.5250000000000001,
1.0225,
0.9324999999999999,
1.02875,
0.86375,
0.75375,
1.10875,
1.2650000000000001,
1.3537499999999998,
1.3475000000000001,
1.4175000000000004,
1.3375,
1.34,
1.4562500000000003,
1.3475,
1.5237500000000002,
1.196... |
TPD12868 | GFAWNVCVYRNGVRVCHRPAN | CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@... | [C][C][Branch1][C][C][C@H1][Branch2][N][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#... | TPDB | true | [
"unknown"
] | 2 | [
4.388571428571429,
0.946190476190476,
0.8057142857142858,
0.875238095238095,
0.9619047619047618,
0.9900000000000001,
0.8995238095238095,
0.8804761904761905,
0.8338095238095239,
0.8485714285714285,
0.8528571428571426,
0.9266666666666665,
0.9547619047619048,
0.9104761904761907,
0.886666666... |
TPD12869 | GFAWNVCVYRNGVRVCHRRAN | CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@... | [C][C][Branch1][C][C][C@H1][Branch2][N][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#... | TPDB | true | [
"unknown"
] | 0 | [
4.385714285714285,
0.8819047619047619,
0.779047619047619,
0.8604761904761903,
0.9604761904761904,
0.9819047619047622,
0.888095238095238,
0.8600000000000001,
0.8166666666666667,
0.8190476190476191,
0.8533333333333333,
0.9828571428571428,
1.0195238095238095,
0.985714285714286,
0.9366666666... |
TPD1307 | AHLPIVRASLPS | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C... | TPDB | true | [
"unknown"
] | 0 | [
4.319166666666667,
1.0858333333333332,
1.2766666666666666,
1.3058333333333334,
0.9824999999999998,
1.01,
0.9875000000000002,
0.9849999999999999,
0.8916666666666666,
1.0450000000000002,
0.9591666666666665,
0.9774999999999999,
0.9741666666666665,
1.0225000000000002,
1.03,
0.9908333333333... |
TPD13073 | GFCWHVCARRNGVRVCYRRCN | CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@... | [C][C][Branch1][C][C][C@H1][Branch2][O][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branc... | TPDB | true | [
"unknown"
] | 0 | [
4.4157142857142855,
0.9176190476190478,
0.8499999999999999,
0.8576190476190475,
0.947142857142857,
0.9371428571428573,
0.8609523809523809,
0.8433333333333334,
0.7633333333333332,
0.7709523809523811,
0.8166666666666667,
0.9471428571428572,
0.9833333333333334,
0.9614285714285716,
0.8833333... |
TPD13165 | GFCWNVCVYRNGVRICHRRCN | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch2][N][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][B... | TPDB | true | [
"unknown"
] | 2 | [
4.414285714285715,
0.9685714285714287,
0.8642857142857144,
0.8542857142857142,
0.9361904761904762,
0.9280952380952382,
0.860952380952381,
0.861904761904762,
0.7933333333333332,
0.7533333333333335,
0.7676190476190475,
0.8980952380952381,
0.9419047619047619,
0.8800000000000002,
0.827142857... |
TPD13230 | GFCWRACVYRNGVRACYRRCN | CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N... | [C][C][Branch1][C][C][C@H1][Branch2][N][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Br... | TPDB | true | [
"unknown"
] | 1 | [
4.433333333333334,
0.9442857142857144,
0.8585714285714284,
0.8961904761904762,
0.9438095238095237,
0.9476190476190479,
0.858095238095238,
0.8438095238095239,
0.7628571428571428,
0.794761904761905,
0.8195238095238094,
0.9604761904761906,
1.002857142857143,
1.0300000000000002,
0.9166666666... |
TPD13245 | GFCWRVCASRNGLRVCYRRCN | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC... | [C][C][Branch1][C][C][C][C@H1][Branch2][O][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branc... | TPDB | true | [
"unknown"
] | 0 | [
4.42,
0.9009523809523811,
0.9838095238095238,
0.9676190476190475,
0.9276190476190475,
0.9342857142857145,
0.8547619047619047,
0.8752380952380954,
0.7890476190476191,
0.773809523809524,
0.7947619047619047,
0.9628571428571429,
0.9704761904761906,
1.0028571428571431,
0.886190476190476,
0.... |
TPD13327 | GFCWYVCARRNGARVCYRRCN | CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C... | [C][C][Branch1][C][C][C@H1][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=B... | TPDB | true | [
"unknown"
] | 0 | [
4.433333333333334,
0.9442857142857144,
0.8585714285714284,
0.896190476190476,
0.9438095238095237,
0.9476190476190479,
0.8580952380952382,
0.8438095238095239,
0.7628571428571428,
0.7947619047619048,
0.8195238095238095,
0.9604761904761906,
1.002857142857143,
1.0300000000000002,
0.916666666... |
TPD13381 | GFCWYVCVYRNGVRVCYRRCN | CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(... | [C][C][Branch1][C][C][C@H1][Branch2][N][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch... | TPDB | true | [
"unknown"
] | 0 | [
4.405714285714287,
1.072857142857143,
0.858095238095238,
0.867142857142857,
0.9347619047619047,
0.9361904761904764,
0.8233333333333333,
0.822857142857143,
0.7657142857142857,
0.7595238095238097,
0.7433333333333332,
0.9004761904761907,
0.9457142857142857,
0.896666666666667,
0.848571428571... |
TPD13429 | GFFALIPKIISSPLFKTLLSAVGSALSSSGGQE | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C]... | TPDB | true | [
"anticervicalcancer"
] | 4 | [
4.293030303030303,
0.9354545454545456,
1.3048484848484847,
1.3087878787878786,
0.9712121212121213,
1.0130303030303032,
1.002424242424243,
1.0051515151515151,
0.9648484848484851,
0.9663636363636364,
0.9042424242424243,
0.9757575757575756,
0.9633333333333335,
0.9654545454545457,
0.96545454... |
TPD13441 | GFFGKRKEYFKKFGASFKRRFANLKKRL | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](... | [C][C][Branch1][C][C][C][C@H1][Branch3][Ring1][=Branch2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1]... | TPDB | true | [
"unknown"
] | 0 | [
4.396071428571427,
1.0542857142857143,
0.8917857142857141,
0.9949999999999998,
1.0507142857142857,
1.0800000000000003,
0.9803571428571426,
0.885,
0.8867857142857145,
0.9825000000000002,
0.9325000000000001,
1.0267857142857142,
1.1796428571428572,
1.1750000000000003,
1.1071428571428572,
... |
TPD13469 | GFGCNGPWDEDDMKCHNHCKSIKGYKGGYCASAGFVCKCY | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][C][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][... | TPDB | true | [
"unknown"
] | 3 | [
4.43,
0.9042499999999999,
0.8132499999999998,
0.8172499999999999,
0.98275,
0.9874999999999998,
1.016,
0.9592499999999999,
0.8972500000000002,
0.8467499999999999,
0.8887500000000002,
0.8004999999999998,
0.8522500000000003,
0.8127500000000001,
0.7790000000000002,
0.8127499999999998,
0.... |
TPD13537 | GFGCPFNQGQCHKHCQSIRRRGGYCDGFLKTRCVCYR | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][P][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=... | TPDB | true | [
"unknown"
] | 2 | [
4.398918918918919,
0.832972972972973,
0.9040540540540541,
0.8605405405405405,
0.9867567567567567,
0.9697297297297296,
0.9518918918918918,
0.9467567567567564,
0.8591891891891896,
0.8191891891891894,
0.8772972972972971,
0.8589189189189186,
0.9105405405405407,
0.8486486486486488,
0.84837837... |
TPD13577 | GFGCPLNQGACHRHCRSIRRRGGYCSGIIKQTCTCY | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][=Branch1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C... | TPDB | true | [
"unknown"
] | 3 | [
4.363888888888889,
0.8055555555555555,
0.9308333333333331,
0.9016666666666667,
0.9713888888888889,
0.9533333333333331,
0.9558333333333334,
0.9419444444444444,
0.8505555555555557,
0.8061111111111112,
0.8333333333333334,
0.8455555555555551,
0.8888888888888888,
0.8586111111111112,
0.8316666... |
TPD13579 | GFGCPLNQGACHRHCRSIRRRGGYCSGIIKQTCY | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][=Branch1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C... | TPDB | true | [
"unknown"
] | 2 | [
4.355882352941176,
0.8199999999999998,
0.9052941176470586,
0.8917647058823528,
0.9852941176470589,
0.9738235294117646,
0.9641176470588235,
0.9447058823529411,
0.8482352941176473,
0.8232352941176471,
0.84,
0.8579411764705878,
0.9047058823529412,
0.8723529411764707,
0.8514705882352942,
0... |
TPD13592 | GFGCPNNYQCHRHCKSIPGRCGGYCGGWHRLRCTCYRC | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N1CCC[C@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][#C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C]... | TPDB | true | [
"unknown"
] | 3 | [
4.42157894736842,
0.8739473684210527,
0.8849999999999999,
0.8286842105263158,
0.969473684210526,
0.9557894736842102,
0.9592105263157897,
0.9373684210526313,
0.8260526315789477,
0.7750000000000002,
0.8055263157894735,
0.7671052631578946,
0.791842105263158,
0.7615789473684211,
0.7239473684... |
TPD1361 | AIGSILGALAKGLPTLISWIKNR | CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][Branch2][S][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Br... | TPDB | true | [
"unknown"
] | 4 | [
4.251304347826087,
1.076086956521739,
1.2430434782608695,
1.318695652173913,
0.9904347826086956,
0.99,
1.0126086956521738,
0.9526086956521738,
0.9095652173913046,
0.9478260869565218,
0.8643478260869566,
1.0473913043478262,
1.0552173913043479,
1.061304347826087,
0.997391304347826,
1.016... |
TPD13621 | GFGMALRLLRRVL | CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C | [C][S][C][C][C@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O]... | TPDB | true | [
"anticervicalcancer",
"anticoloncancer"
] | 0 | [
4.24923076923077,
1.0146153846153845,
1.6453846153846152,
1.6923076923076923,
1.0299999999999998,
1.0161538461538464,
0.9538461538461538,
0.9423076923076923,
0.8215384615384616,
0.8669230769230769,
0.9215384615384614,
1.2723076923076921,
1.276923076923077,
1.3015384615384618,
1.149230769... |
TPD13677 | GFIATLCTKVLDFGIDKLIQLIEDK | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=N][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C]... | TPDB | true | [
"unknown"
] | 0 | [
4.296400000000002,
1.1032,
1.2244,
1.2424000000000002,
1.0300000000000002,
0.9436,
1.0179999999999998,
0.9940000000000002,
0.9576,
0.9772,
0.9976000000000002,
1.0799999999999998,
1.1147999999999998,
1.0592,
1.0712000000000002,
1.0335999999999999,
1.0839999999999999,
1.176,
1.0659... |
TPD13682 | GFIFHIIKGLFHAGKMIHGLV | CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][P][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][B... | TPDB | true | [
"anticervicalcancer"
] | 1 | [
4.258571428571429,
1.2152380952380952,
1.2419047619047618,
1.3304761904761901,
1.0623809523809522,
1.028571428571429,
1.0714285714285714,
0.9033333333333334,
0.8566666666666668,
0.8680952380952383,
0.8976190476190475,
1.008095238095238,
1.1580952380952378,
0.9319047619047621,
0.977142857... |
TPD13693 | GFKDLLKGAAKALVKAVLF | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(... | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1... | TPDB | true | [
"unknown"
] | 2 | [
4.286315789473685,
1.0757894736842104,
1.3152631578947367,
1.3831578947368421,
1.007894736842105,
0.9942105263157897,
0.9984210526315791,
0.8736842105263158,
0.8421052631578947,
0.9284210526315788,
0.9863157894736844,
1.1357894736842107,
1.221578947368421,
1.2168421052631577,
1.131578947... |
TPD13695 | GFKDLLKGAAKALVKTVLF | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)[C@@H... | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1... | TPDB | true | [
"unknown"
] | 3 | [
4.286315789473685,
1.046315789473684,
1.2973684210526313,
1.3489473684210527,
1.0042105263157892,
0.9847368421052634,
0.9973684210526317,
0.8936842105263159,
0.8810526315789473,
0.9110526315789473,
0.9615789473684212,
1.1,
1.1742105263157894,
1.1589473684210525,
1.09,
1.087368421052631... |
TPD13699 | GFKDLLKKAAKALVKTVLF | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)... | [C][C][Branch1][C][C][C][C@H1][Branch2][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][... | TPDB | true | [
"unknown"
] | 3 | [
4.306842105263159,
1.1031578947368421,
1.2747368421052634,
1.3242105263157897,
0.996315789473684,
0.9747368421052635,
0.9821052631578949,
0.868421052631579,
0.8736842105263157,
0.9389473684210524,
0.9694736842105264,
1.1136842105263158,
1.221578947368421,
1.2073684210526314,
1.1321052631... |
TPD13726 | GFKRIVQRIKDFLRNLV | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Bran... | TPDB | true | [
"unknown"
] | 1 | [
4.304117647058824,
1.11,
1.038235294117647,
1.101764705882353,
1.0335294117647056,
1.0076470588235298,
0.9270588235294117,
0.9258823529411766,
0.8970588235294117,
0.9500000000000002,
0.9123529411764706,
1.1147058823529412,
1.2070588235294117,
1.1323529411764703,
1.1388235294117648,
1.0... |
TPD13775 | GFLGILFHGVHHGRKKALHMNSERRS | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C... | TPDB | true | [
"unknown"
] | 1 | [
4.342307692307692,
0.8234615384615386,
1.007307692307692,
1.0611538461538457,
1.0450000000000002,
1.0461538461538462,
1.056153846153846,
0.9653846153846153,
0.8965384615384617,
0.908076923076923,
0.9680769230769233,
1.0065384615384616,
1.067692307692308,
1.0100000000000002,
0.99423076923... |
TPD13787 | GFLKKVGKKLEGASDLTRDATIQTIAVAQAAANVAATAKQ | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][Ring2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][C][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][P][#Branch1][N][C][=Br... | TPDB | true | [
"unknown"
] | 4 | [
4.301999999999999,
0.73425,
0.9622499999999998,
1.0750000000000004,
0.9889999999999999,
0.9747499999999997,
1.0004999999999997,
0.9277499999999999,
0.9230000000000006,
1.0010000000000001,
1.0775000000000003,
1.1199999999999997,
1.1697499999999994,
1.1877499999999996,
1.1457500000000003,
... |
TPD13849 | GFMKTAKNVAKNVAATLLKLLK | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](... | [C][S][C][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][#C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][... | TPDB | true | [
"unknown"
] | 3 | [
4.324090909090909,
0.9290909090909092,
1.2436363636363637,
1.3163636363636362,
0.9522727272727273,
0.9704545454545456,
0.9640909090909091,
0.8763636363636366,
0.8945454545454544,
0.9095454545454544,
0.9331818181818182,
1.0963636363636362,
1.2154545454545451,
1.2127272727272727,
1.0854545... |
TPD13879 | GFPCAESCVYIPCTVTALLGCSCRNRVCYRN | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C]... | TPDB | true | [
"unknown"
] | 0 | [
4.388709677419355,
0.9448387096774196,
1.1251612903225807,
1.069677419354839,
0.9216129032258062,
0.9093548387096777,
0.8780645161290324,
0.9154838709677418,
0.8332258064516133,
0.8435483870967743,
0.8251612903225806,
0.8693548387096774,
0.8809677419354841,
0.9096774193548389,
0.84935483... |
TPD13883 | GFPCGESCVYVPCLTAAIGCSCSNKVCYKN | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][N][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][... | TPDB | true | [
"unknown"
] | 2 | [
4.385999999999999,
0.9443333333333331,
1.0596666666666665,
0.9899999999999999,
0.9076666666666668,
0.9186666666666667,
0.898666666666667,
0.9066666666666665,
0.8420000000000002,
0.8303333333333333,
0.7946666666666667,
0.7833333333333332,
0.8160000000000002,
0.8103333333333335,
0.76766666... |
TPD13895 | GFQKVKAQAATCNHTVMA | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C... | [C][S][C][C][C@H1][Branch2][=C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][=C][N][C][=Branch1][C][=O][C@@H1][Branch2][N][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branc... | TPDB | true | [
"unknown"
] | 1 | [
4.368888888888888,
0.6938888888888889,
0.9816666666666668,
1.0588888888888888,
0.9388888888888888,
0.9522222222222224,
0.9622222222222221,
0.8777777777777778,
0.89,
0.9111111111111112,
1.05,
1.0594444444444444,
1.1794444444444445,
1.0722222222222224,
1.0483333333333333,
1.0994444444444... |
TPD13909 | GFRKFHKFWA | C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)O | [C][C@H1][Branch2][#Branch2][N][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C... | TPDB | true | [
"unknown"
] | 4 | [
4.473000000000001,
1.2899999999999998,
0.8949999999999999,
1.0390000000000001,
1.057,
1.076,
1.04,
0.8390000000000001,
0.874,
0.9650000000000001,
1.0050000000000001,
1.06,
1.201,
1.0350000000000001,
1.044,
1.059,
1.211,
1.202,
1.1019999999999999,
1.2009999999999998,
1.2349999... |
TPD1392 | AIIKKIIKKIIKKI | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=N][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch2][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][#Branch2][N][C][=Branch1][C][=O][C@H... | TPDB | true | [
"unknown"
] | 4 | [
4.154285714285715,
1.6464285714285711,
0.8349999999999999,
1.010714285714286,
1.0435714285714286,
0.9642857142857145,
0.9657142857142856,
0.7364285714285715,
0.7978571428571428,
1.0714285714285716,
0.7621428571428571,
1.0435714285714286,
1.3900000000000001,
1.205,
1.2049999999999998,
1... |
TPD13927 | GFSSIFRGVAKFASKGLGKDLAKLGVDLVASKISKQS | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][=Branch2][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][=Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#B... | TPDB | true | [
"unknown"
] | 0 | [
4.299729729729731,
0.8672972972972972,
1.0624324324324323,
1.1056756756756758,
0.9802702702702701,
1.0194594594594597,
0.99972972972973,
0.954054054054054,
0.9378378378378379,
0.9078378378378381,
0.9081081081081084,
0.995135135135135,
1.038918918918919,
1.0305405405405406,
1.004594594594... |
TPD13945 | GFVDFLKKVAGTIANVVT | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch2][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch2][=C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1... | TPDB | true | [
"unknown"
] | 0 | [
4.267222222222222,
0.963888888888889,
1.018888888888889,
1.1172222222222223,
0.9866666666666668,
0.9822222222222224,
0.9561111111111111,
0.9005555555555556,
0.9349999999999999,
0.8666666666666667,
0.8988888888888888,
1.0016666666666667,
1.0677777777777777,
0.9705555555555557,
0.990555555... |
TPD13958 | GFWGKLFKLGLHGIGLLHLHL | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][N][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][... | TPDB | true | [
"unknown"
] | 3 | [
4.267619047619048,
1.1476190476190478,
1.5357142857142854,
1.5042857142857142,
1.0552380952380949,
1.0009523809523813,
1.1028571428571428,
0.9623809523809528,
0.8685714285714285,
0.8285714285714286,
0.9066666666666666,
1.0533333333333335,
1.044285714285714,
0.9257142857142858,
0.91523809... |
TPD13972 | GFWSSVWDGAKNVGTAIIKNAKVCVYAVCVSHK | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][O][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C... | TPDB | true | [
"unknown"
] | 1 | [
4.334848484848485,
0.9799999999999999,
0.8499999999999996,
0.9248484848484847,
0.9375757575757575,
0.9627272727272729,
0.9466666666666669,
0.8603030303030302,
0.8815151515151519,
0.8663636363636364,
0.8633333333333334,
0.9475757575757576,
0.9933333333333334,
0.9096969696969696,
0.9048484... |
TPD13984 | GG | NCC(=O)NCC(=O)O | [N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] | TPDB | true | [
"unknown"
] | 0 | [
3.97,
0.07,
0.49,
0.62,
1.18,
1.25,
1.26,
1.14,
0.98,
0.55,
0.65,
0.56,
0.37,
0.32,
0.3,
0.29,
0.32,
0.2,
0.33,
0.74,
2.74,
1.08,
0.97,
1.07,
0.08,
-0.17,
-0.647,
-0.822,
-0.57,
-0.56,
-0.86,
-0.679,
-0.392,
-0.0442,
-0.0464,
-0.0589,
0.0248,
... |
TPD14014 | GGCLQILPTLSECFGR | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Br... | TPDB | true | [
"antibreastcancer"
] | 4 | [
4.29125,
0.8937500000000002,
1.3718749999999997,
1.28,
0.9974999999999999,
0.9487500000000002,
0.9743749999999999,
1.011875,
0.8949999999999999,
0.9100000000000001,
0.908125,
0.9706249999999998,
0.906875,
0.9043750000000002,
0.8800000000000001,
0.86625,
0.9112500000000001,
0.90125,... |
TPD1403 | AIIYRDLIS | CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C]... | TPDB | true | [
"unknown"
] | 2 | [
4.290000000000001,
1.31,
1.152222222222222,
1.2866666666666666,
1.0188888888888887,
0.9722222222222222,
0.9955555555555556,
0.9755555555555555,
0.9122222222222223,
1.0122222222222221,
0.9144444444444443,
1.108888888888889,
1.1877777777777778,
1.1944444444444446,
1.1955555555555555,
1.1... |
TPD1405 | AIKKFGPLAKIVAKV | CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branc... | TPDB | true | [
"unknown"
] | 0 | [
4.235333333333334,
1.2719999999999998,
1.0186666666666666,
1.1493333333333335,
1.0166666666666666,
1.0106666666666668,
0.9593333333333334,
0.8006666666666666,
0.8079999999999999,
1.0146666666666666,
0.9033333333333335,
1.036,
1.2120000000000002,
1.1373333333333335,
1.1106666666666667,
... |
TPD14086 | GGGGRGDRGDLPETGGS | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=... | TPDB | true | [
"unknown"
] | 1 | [
4.222941176470589,
0.39588235294117646,
0.6076470588235295,
0.6929411764705882,
1.1305882352941177,
1.1382352941176472,
1.152352941176471,
1.1841176470588237,
1.0605882352941176,
0.8923529411764706,
0.9358823529411765,
0.8041176470588236,
0.6341176470588235,
0.7376470588235294,
0.7241176... |
TPD14088 | GGGGRRRRRRRRRLLLL | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)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](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][#C][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C]... | TPDB | true | [
"unknown"
] | 1 | [
4.234117647058825,
0.6941176470588235,
0.9811764705882355,
1.0735294117647058,
1.11,
1.0858823529411767,
0.9511764705882356,
0.9823529411764708,
0.8188235294117644,
0.8829411764705883,
0.87,
1.1935294117647057,
1.1429411764705881,
1.3370588235294116,
1.1558823529411768,
1.1441176470588... |
TPD14131 | GGGTRAGMKY | CSCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | [C][S][C][C][C@H1][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O... | TPDB | true | [
"unknown"
] | 3 | [
4.243999999999999,
0.575,
0.73,
0.9189999999999999,
1.063,
1.1219999999999999,
1.083,
0.982,
0.9400000000000001,
0.8089999999999999,
0.849,
0.89,
0.9399999999999998,
0.9299999999999999,
0.8219999999999998,
0.892,
0.924,
0.858,
0.9059999999999999,
1.028,
1.652,
1.058,
0.97... |
TPD14162 | GGHTRQ | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O | [C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Bran... | TPDB | true | [
"antibreastcancer"
] | 1 | [
4.278333333333333,
0.2333333333333333,
0.5083333333333333,
0.5666666666666668,
1.0783333333333331,
1.0583333333333333,
1.11,
1.0583333333333333,
1.0016666666666667,
0.8433333333333334,
1.0216666666666667,
0.8816666666666667,
0.85,
0.75,
0.8433333333333334,
0.8766666666666666,
0.66333... |
TPD14182 | GGKKLFKKILKYL | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C... | TPDB | true | [
"unknown"
] | 0 | [
4.266153846153847,
1.276923076923077,
1.1361538461538463,
1.166153846153846,
1.0407692307692307,
1.024615384615385,
1.0069230769230768,
0.8530769230769232,
0.8530769230769231,
0.9207692307692308,
0.8,
0.9776923076923076,
1.1507692307692305,
1.093076923076923,
1.0238461538461539,
1.0453... |
TPD14232 | GGLRSLGRKILRAWKKYG | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1... | TPDB | true | [
"unknown"
] | 3 | [
4.261666666666667,
0.9738888888888889,
0.9549999999999996,
1.048333333333333,
1.042222222222222,
1.05,
1.0122222222222226,
0.9166666666666666,
0.8638888888888888,
0.9072222222222224,
0.8405555555555556,
1.0444444444444443,
1.0572222222222223,
1.0972222222222223,
0.9944444444444444,
1.0... |
TPD14245 | GGMPGKSNVASLRQAPGQNGTSF | CSCC[C@H](NC(=O)CNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N... | [C][S][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1... | TPDB | true | [
"unknown"
] | 0 | [
4.328695652173913,
0.5908695652173913,
0.9208695652173913,
0.9695652173913045,
0.978695652173913,
1.0739130434782609,
1.011739130434783,
1.0556521739130431,
1.0130434782608697,
0.9165217391304346,
0.9086956521739131,
0.8734782608695653,
0.8591304347826088,
0.8460869565217394,
0.837826086... |
TPD14249 | GGNECDAIRMWEWECFERL | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][... | TPDB | true | [
"unknown"
] | 3 | [
4.406315789473685,
0.9863157894736844,
0.9426315789473683,
1.0126315789473685,
1.063157894736842,
0.9768421052631581,
1.0052631578947366,
0.9778947368421052,
0.8894736842105261,
1.1631578947368422,
1.1615789473684208,
1.2284210526315789,
1.124736842105263,
1.161578947368421,
1.0752631578... |
TPD14338 | GGTIFDCGESCFLGTCYTKGCSCGEWKLCYGTN | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C]... | TPDB | true | [
"unknown"
] | 2 | [
4.376060606060606,
0.8090909090909091,
1.0324242424242422,
0.9751515151515151,
0.9593939393939395,
0.9275757575757577,
0.9887878787878791,
0.9757575757575758,
0.9242424242424243,
0.8033333333333333,
0.8424242424242424,
0.8227272727272725,
0.7869696969696971,
0.7787878787878789,
0.7287878... |
TPD14355 | GGVCPKILAACRRDSDCPGACICRGNGYCGSGSD | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][... | TPDB | true | [
"unknown"
] | 4 | [
4.360882352941177,
0.7750000000000001,
0.922941176470588,
0.9008823529411766,
0.9700000000000001,
0.9723529411764706,
0.9838235294117652,
1.0058823529411764,
0.8841176470588238,
0.8105882352941178,
0.8426470588235293,
0.7997058823529409,
0.7776470588235296,
0.8376470588235296,
0.77,
0.... |
TPD14357 | GGVCPKILKACRRDSDCPGACICRGNGYCGSGSD | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][S][S][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branc... | TPDB | true | [
"unknown"
] | 3 | [
4.361176470588235,
0.7908823529411766,
0.8899999999999998,
0.8594117647058825,
0.9726470588235294,
0.9747058823529412,
0.9814705882352946,
1.003235294117647,
0.8891176470588239,
0.8100000000000002,
0.8252941176470587,
0.7817647058823527,
0.7694117647058825,
0.8211764705882355,
0.75764705... |
TPD14358 | GGVCPKILKKCRRDSDCPGACICRGNGWCGSGSD | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][#B... | TPDB | true | [
"unknown"
] | 2 | [
4.364411764705883,
0.8294117647058825,
0.8682352941176469,
0.8297058823529413,
0.9714705882352942,
0.9705882352941176,
0.98264705882353,
0.9970588235294118,
0.8976470588235297,
0.8173529411764708,
0.8188235294117646,
0.7941176470588234,
0.7661764705882355,
0.7979411764705885,
0.734705882... |
TPD14361 | GGVCPKILRRCRRDSDCPGACICRGNGWCGSGSD | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branc... | TPDB | true | [
"unknown"
] | 4 | [
4.365588235294119,
0.7970588235294119,
0.8764705882352938,
0.8473529411764708,
0.978529411764706,
0.9752941176470588,
0.9732352941176474,
1.0111764705882353,
0.8929411764705887,
0.8155882352941178,
0.8276470588235293,
0.8241176470588232,
0.7732352941176472,
0.8267647058823532,
0.75764705... |
TPD14363 | GGVCPKILRRCRRDSDCPGACICRGNGYCGSGSR | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branc... | TPDB | true | [
"unknown"
] | 2 | [
4.351470588235294,
0.778529411764706,
0.8697058823529409,
0.8447058823529412,
0.9811764705882353,
0.9844117647058825,
0.9526470588235298,
0.9905882352941177,
0.8652941176470592,
0.8050000000000002,
0.7964705882352939,
0.8064705882352937,
0.7911764705882355,
0.8579411764705885,
0.78147058... |
TPD14370 | GGVKRFKKFFRKLKKSV | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C | [C][C][Branch1][C][C][C][C@H1][Branch2][N][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch... | TPDB | true | [
"unknown"
] | 4 | [
4.318235294117648,
1.0894117647058823,
0.8223529411764707,
0.8911764705882353,
1.0270588235294116,
1.0623529411764707,
0.9394117647058824,
0.8264705882352942,
0.8694117647058823,
0.9147058823529414,
0.8235294117647058,
0.9652941176470589,
1.145294117647059,
1.0694117647058825,
1.03411764... |
TPD14416 | GHGKHKNK | NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)O | [N][C][C][C][C][C@H1][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1]... | TPDB | true | [
"antilungcancer"
] | 3 | [
4.37875,
0.6087499999999999,
0.25125000000000003,
0.31749999999999995,
1.0675,
1.09375,
1.15,
0.9275,
0.9275,
0.84,
0.88625,
0.68125,
0.86625,
0.75125,
0.7675000000000001,
0.835,
0.815,
1.02625,
1.00375,
1.2825,
1.7175,
1.19875,
1.0150000000000001,
1.0812500000000003,
... |
TPD14418 | GHGQHGVHG | CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O | [C][C][Branch1][C][C][C@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C]... | TPDB | true | [
"unknown"
] | 0 | [
4.232222222222222,
0.38111111111111107,
0.5211111111111111,
0.5555555555555556,
1.1122222222222222,
1.088888888888889,
1.202222222222222,
1.011111111111111,
0.9033333333333334,
0.7511111111111111,
0.9977777777777779,
0.7544444444444444,
0.751111111111111,
0.4933333333333334,
0.6811111111... |
TPD14442 | GHRATSDLASTGEESQD | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Br... | TPDB | true | [
"antiangiogenesis"
] | 4 | [
4.381764705882354,
0.36529411764705877,
0.7476470588235294,
0.7958823529411766,
1.0258823529411762,
1.0088235294117647,
1.0958823529411765,
1.131176470588235,
1.0788235294117645,
1.0694117647058825,
1.19,
1.026470588235294,
0.9076470588235294,
1.031764705882353,
1.0394117647058825,
1.0... |
TPD14468 | GIACFLKE | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][... | TPDB | true | [
"unknown"
] | 4 | [
4.3,
1.1425,
1.29625,
1.3025,
1.03,
0.9425,
0.98125,
0.875,
0.79125,
1.01125,
0.9974999999999998,
1.10375,
1.1675,
1.145,
1.07375,
1.0212500000000002,
1.17,
1.1925,
1.1575,
1.0325,
1.05,
1.0462500000000001,
0.9299999999999999,
0.9449999999999998,
0.278125,
0.23425,
... |
TPD14471 | GIACGESCVWIPCISSAIGCSCVKSKCYRN | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][... | TPDB | true | [
"unknown"
] | 4 | [
4.353,
0.9843333333333333,
1.0186666666666666,
0.9713333333333332,
0.9030000000000001,
0.907,
0.904666666666667,
0.8869999999999999,
0.8250000000000003,
0.8456666666666667,
0.7773333333333334,
0.8469999999999998,
0.8706666666666668,
0.8533333333333334,
0.8016666666666666,
0.80866666666... |
TPD14473 | GIADFVLKY | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][... | TPDB | true | [
"unknown"
] | 3 | [
4.307777777777778,
1.2511111111111113,
1.098888888888889,
1.2133333333333334,
1.04,
1.0144444444444443,
1.01,
0.9266666666666666,
0.8988888888888888,
0.9355555555555556,
0.94,
1.0333333333333334,
1.1255555555555554,
1.0555555555555556,
1.0755555555555556,
1.0211111111111113,
1.143333... |
TPD14490 | GICKDDWCQ | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1]... | TPDB | true | [
"unknown"
] | 3 | [
4.463333333333333,
1.0166666666666666,
0.8188888888888888,
0.7522222222222221,
0.9677777777777776,
0.878888888888889,
1.0099999999999998,
1.0133333333333332,
0.9433333333333334,
0.8955555555555554,
1.0122222222222221,
0.9455555555555555,
0.8933333333333332,
0.8,
0.8155555555555556,
0.9... |
TPD14501 | GICRCICGRGICRCICGR | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch2][P][... | TPDB | true | [
"unknown"
] | 4 | [
4.283333333333334,
0.9988888888888892,
1.1055555555555554,
1.018888888888889,
0.9555555555555555,
0.8633333333333335,
0.871111111111111,
0.8511111111111114,
0.6833333333333332,
0.6777777777777778,
0.671111111111111,
0.8555555555555555,
0.9144444444444443,
0.8811111111111113,
0.7622222222... |
TPD14541 | GIFDVLKNLAKGVITSLKS | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[C@@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][=N][Ring1][C][=Branch1][C][=O][N][C@... | TPDB | true | [
"unknown"
] | 2 | [
4.273684210526317,
0.9768421052631581,
1.1636842105263157,
1.1910526315789471,
0.9721052631578949,
0.9800000000000001,
0.9842105263157894,
0.9563157894736843,
0.9552631578947368,
0.881578947368421,
0.8478947368421054,
0.9857894736842105,
1.0321052631578946,
1,
0.9773684210526316,
0.966... |
TPD14566 | GIFKDTLKKVVAAVLTTVADNIHPK | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch... | TPDB | true | [
"unknown"
] | 4 | [
4.3020000000000005,
0.9995999999999999,
0.9531999999999999,
1.0408000000000002,
0.9971999999999999,
0.9704,
0.992,
0.9283999999999999,
0.9500000000000003,
0.9487999999999996,
0.9572000000000002,
0.9840000000000001,
1.0624,
1.0095999999999998,
1.0263999999999998,
1.0008,
1.02680000000... |
TPD14576 | GIFPIFAKLLGKVIKVASSLISKGRTE | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Bra... | TPDB | true | [
"unknown"
] | 4 | [
4.242222222222222,
1.0888888888888888,
1.1281481481481477,
1.191481481481481,
1.01,
1.0074074074074075,
0.98,
0.9174074074074076,
0.9025925925925926,
0.9803703703703703,
0.8729629629629629,
1.0125925925925923,
1.0785185185185187,
1.0425925925925927,
1.031851851851852,
0.980740740740740... |
TPD14577 | GIFPIFAKLLGKVIKVASSLISKGRTK | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Bra... | TPDB | true | [
"unknown"
] | 1 | [
4.244814814814815,
1.114074074074074,
1.1262962962962957,
1.188518518518518,
0.9959259259259261,
1.0081481481481482,
0.9748148148148148,
0.9011111111111112,
0.8988888888888888,
0.9351851851851852,
0.825925925925926,
0.9799999999999998,
1.075925925925926,
1.0244444444444445,
1.00740740740... |
TPD14623 | GIFSKLAGKKLKNLLISG | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Bra... | TPDB | true | [
"unknown"
] | 2 | [
4.260555555555555,
1.008888888888889,
1.268888888888889,
1.2777777777777777,
0.987222222222222,
1.007777777777778,
1.012777777777778,
0.9427777777777777,
0.9127777777777776,
0.8772222222222223,
0.8061111111111112,
0.9833333333333333,
1.055,
1.0450000000000002,
0.9666666666666666,
0.978... |
TPD14713 | GIGAVLKVLTTGLPALISWIKRKRQQ | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCC... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Ring2][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Bra... | TPDB | true | [
"antibreastcancer",
"anticervicalcancer",
"anticoloncancer",
"antilungcancer",
"antiprostatecancer",
"antiskincancer"
] | 3 | [
4.229230769230769,
1.0096153846153846,
1.1330769230769226,
1.185769230769231,
1.0007692307692309,
0.9761538461538459,
0.9696153846153843,
0.9203846153846154,
0.899615384615385,
0.9673076923076924,
0.9138461538461541,
1.0907692307692307,
1.1053846153846154,
1.0519230769230767,
1.043461538... |
TPD14745 | GIGGALLSAGKSALKGLAKGLAEHFAN | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C]... | TPDB | true | [
"unknown"
] | 2 | [
4.264074074074074,
0.7651851851851851,
1.198148148148148,
1.27,
1.0155555555555553,
1.0259259259259261,
1.0681481481481485,
0.9537037037037038,
0.8762962962962966,
0.9174074074074073,
0.9744444444444446,
1.0522222222222222,
1.062962962962963,
1.114814814814815,
1.0148148148148148,
1.02... |
TPD1478 | AISYGNGVYCNKEKCWVNKAENKQAITGIVIGGWASSLAGMGH | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch2][=N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][#Branch1][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][=Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][B... | TPDB | true | [
"unknown"
] | 2 | [
4.317441860465115,
0.8576744186046509,
0.8495348837209304,
0.9393023255813954,
0.9767441860465115,
0.9965116279069764,
0.9960465116279069,
0.9197674418604653,
0.9016279069767442,
0.9248837209302326,
0.9032558139534883,
0.9688372093023255,
0.9986046511627903,
0.9511627906976744,
0.9148837... |
TPD14791 | GIGKAIAKAIACIAKAIA | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch2][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Bran... | TPDB | true | [
"unknown"
] | 2 | [
4.215,
1.1127777777777776,
1.031111111111111,
1.2327777777777775,
0.9988888888888887,
0.9638888888888891,
1.0072222222222222,
0.7872222222222223,
0.7466666666666666,
0.9777777777777779,
0.952777777777778,
1.1116666666666666,
1.2966666666666669,
1.2755555555555556,
1.1694444444444443,
1... |
TPD14814 | GIGKFLHSAKKFAKAFVAEIMNS | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Bran... | TPDB | true | [
"antibreastcancer",
"antilungcancer",
"antiprostatecancer"
] | 2 | [
4.346521739130435,
0.9978260869565215,
1.056086956521739,
1.1717391304347828,
1.0008695652173911,
1.0308695652173914,
1.012608695652174,
0.8899999999999999,
0.8882608695652175,
0.9830434782608694,
0.9795652173913048,
1.0543478260869565,
1.1960869565217391,
1.1321739130434785,
1.083478260... |
TPD14824 | GIGKFLHSAKKFGKAFVGEIMNSGGKKWKMRRNQFWVKVQRG | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Bran... | TPDB | true | [
"unknown"
] | 1 | [
4.32547619047619,
0.9447619047619046,
0.8385714285714284,
0.9428571428571427,
1.0199999999999996,
1.0545238095238092,
0.9940476190476187,
0.9007142857142855,
0.9088095238095238,
0.9478571428571426,
0.91952380952381,
1.0307142857142855,
1.1202380952380955,
1.0104761904761905,
0.9845238095... |
TPD14836 | GIGKFLHSAKKWGKAFVGQIMNC | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Bran... | TPDB | true | [
"anticervicalcancer"
] | 2 | [
4.325217391304348,
1.0021739130434784,
1.0108695652173911,
1.079130434782609,
0.9908695652173911,
1.0121739130434784,
1.0095652173913046,
0.8908695652173914,
0.8808695652173913,
0.8839130434782608,
0.891739130434783,
0.9882608695652174,
1.0913043478260869,
0.9530434782608697,
0.924782608... |
TPD14850 | GIGKFLKSKGKFGKA | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Bran... | TPDB | true | [
"unknown"
] | 0 | [
4.264666666666666,
0.9653333333333334,
0.8673333333333334,
0.9506666666666667,
1.0426666666666664,
1.0813333333333333,
1.0473333333333334,
0.8920000000000001,
0.9019999999999999,
0.8806666666666668,
0.8153333333333335,
0.8853333333333334,
1.0286666666666666,
0.9620000000000001,
0.9113333... |
TPD14872 | GIGRWLHSARRFGRAFVGEIMNS | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][... | TPDB | true | [
"unknown"
] | 4 | [
4.318695652173914,
0.8826086956521736,
0.968695652173913,
1.1008695652173912,
1.036086956521739,
1.0586956521739133,
1.0078260869565219,
0.9569565217391305,
0.9004347826086958,
0.9456521739130433,
0.9456521739130437,
1.092608695652174,
1.1017391304347828,
1.076521739130435,
1.02521739130... |
TPD14875 | GIGSAILSAGKSIIKGLAKGLAEHF | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][S][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C... | TPDB | true | [
"unknown"
] | 2 | [
4.2288,
0.9184,
1.1251999999999998,
1.2096,
1.0228,
1.0200000000000002,
1.0584,
0.9380000000000003,
0.8828000000000001,
0.9444000000000001,
0.9200000000000002,
1.022,
1.0704,
1.058,
1.0148000000000001,
0.9875999999999996,
1.0960000000000003,
1.1035999999999997,
1.1256,
1.056399... |
TPD14909 | GIGVLLSAGKAALKGLAKVLAEKYAN | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(... | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][... | TPDB | true | [
"unknown"
] | 0 | [
4.240769230769231,
0.9042307692307691,
1.1823076923076923,
1.2703846153846154,
1.001153846153846,
0.9988461538461539,
1.0050000000000003,
0.8865384615384616,
0.8330769230769233,
0.9507692307692308,
0.9573076923076926,
1.1026923076923076,
1.146153846153846,
1.1976923076923076,
1.091153846... |
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