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 |
|---|---|---|---|---|---|---|---|---|
TPD10816 | FLPIVGRLISGIL | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][=N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch2][=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][N][C]... | TPDB | true | [
"unknown"
] | 4 | [
4.171538461538462,
1.3330769230769233,
1.537692307692308,
1.556153846153846,
1.0307692307692307,
1.0000000000000002,
0.9723076923076921,
0.9692307692307693,
0.8792307692307693,
0.9223076923076925,
0.7869230769230771,
1.0423076923076922,
1.0507692307692307,
0.9723076923076925,
0.991538461... |
TPD10856 | FLPKTLRKFFCRIRGGRCAVLNCLGKEEQIGRCSNSGRKCCRKKK | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][B... | TPDB | true | [
"unknown"
] | 2 | [
4.356222222222224,
0.9051111111111111,
0.9891111111111114,
0.9628888888888887,
0.9886666666666667,
0.9668888888888891,
0.9228888888888891,
0.9068888888888886,
0.8395555555555557,
0.9037777777777775,
0.8655555555555556,
0.9628888888888889,
1.0257777777777783,
1.0515555555555554,
0.9617777... |
TPD10892 | FLPLIAGVAANFLPKIFCLISKKC | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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][C][N][C][C][=C][C][=... | TPDB | true | [
"unknown"
] | 2 | [
4.332916666666667,
1.3191666666666664,
1.4558333333333335,
1.4487499999999998,
0.9675000000000001,
0.9562499999999999,
0.9437500000000001,
0.8937500000000002,
0.83625,
0.9366666666666666,
0.8650000000000002,
0.9945833333333334,
1.09625,
1.0450000000000002,
1.001666666666667,
0.95833333... |
TPD10912 | FLPLIGKLLSGLY | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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][C][N][C][C][=C][C][=... | TPDB | true | [
"unknown"
] | 0 | [
4.253846153846154,
1.3123076923076922,
1.7476923076923077,
1.6915384615384614,
1.0138461538461536,
1.0007692307692309,
1.0107692307692306,
1,
0.8984615384615384,
0.9084615384615387,
0.8192307692307694,
1.0176923076923077,
1.005384615384615,
1.0007692307692309,
0.9638461538461539,
0.968... |
TPD10926 | FLPLIGRVLSGIL | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][N][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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][... | TPDB | true | [
"unknown"
] | 1 | [
4.188461538461539,
1.28,
1.6746153846153844,
1.6530769230769233,
1.0215384615384613,
0.9938461538461539,
0.973076923076923,
0.9853846153846154,
0.8800000000000001,
0.9053846153846155,
0.8076923076923078,
1.0684615384615384,
1.0423076923076922,
1.0015384615384617,
0.9923076923076923,
0.... |
TPD10950 | FLPLLAGLAANFLPKIICKIARKC | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][S][P][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][Branch2][=C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N]... | TPDB | true | [
"unknown"
] | 4 | [
4.324166666666668,
1.292083333333333,
1.4808333333333337,
1.4887499999999998,
0.9837500000000001,
0.9525,
0.9558333333333334,
0.8937500000000002,
0.80875,
0.9583333333333335,
0.9008333333333334,
1.0541666666666667,
1.15,
1.1516666666666666,
1.0616666666666668,
1.0341666666666665,
1.2... |
TPD10958 | FLPLLAGLAANFLPTIICKISYKC | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][C][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][Branch2][=C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][N][#C][N][C][=Branch1][C]... | TPDB | true | [
"antibreastcancer",
"antilungcancer"
] | 2 | [
4.339166666666667,
1.2762499999999997,
1.5125000000000002,
1.49875,
0.9620833333333335,
0.9425,
0.9600000000000001,
0.9279166666666668,
0.8591666666666667,
0.9308333333333333,
0.8675000000000002,
0.9887499999999999,
1.0587499999999999,
1.0479166666666668,
0.9916666666666668,
0.96999999... |
TPD10990 | FLPLLISALTSLFPKLGK | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)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](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][Branch2][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branc... | TPDB | true | [
"unknown"
] | 4 | [
4.308888888888889,
1.2483333333333333,
1.7133333333333334,
1.6577777777777778,
0.982222222222222,
0.9850000000000002,
0.995,
1.001111111111111,
0.9400000000000001,
0.9688888888888888,
0.8844444444444445,
1.0222222222222221,
1.0255555555555556,
1.0427777777777778,
1.0022222222222223,
0.... |
TPD10995 | FLPLLLAGLPSFLCLVFKKC | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(... | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][Branch2][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1]... | TPDB | true | [
"unknown"
] | 0 | [
4.3420000000000005,
1.358,
1.8815000000000002,
1.7505,
0.958,
0.9319999999999998,
0.9349999999999999,
0.9339999999999999,
0.8320000000000001,
0.8910000000000002,
0.8659999999999999,
1.033,
1.0505,
1.0325,
0.9675,
0.9630000000000001,
1.2065000000000001,
1.1270000000000002,
1.04799... |
TPD11033 | FLPNSNHIKQGL | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][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][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][B... | TPDB | true | [
"unknown"
] | 1 | [
4.3933333333333335,
0.9375,
1.1366666666666667,
1.1033333333333333,
0.9816666666666665,
1.0208333333333335,
1.015,
1.0458333333333334,
0.9958333333333336,
0.9441666666666667,
0.9033333333333333,
0.8875000000000001,
0.9341666666666665,
0.855,
0.9008333333333334,
0.9049999999999999,
0.... |
TPD11061 | FLPVIASVAAKVLPKVFCFITKKC | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][#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][Ring1][C][S][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][Branc... | TPDB | true | [
"unknown"
] | 0 | [
4.314166666666667,
1.3087499999999999,
1.2687499999999998,
1.2845833333333336,
0.9533333333333335,
0.9433333333333334,
0.8945833333333334,
0.8241666666666667,
0.82125,
0.9416666666666665,
0.8666666666666668,
0.9804166666666667,
1.10875,
1.0154166666666666,
1.012916666666667,
0.9575,
... |
TPD11135 | FLSAITSILGKFF | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=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](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Bran... | TPDB | true | [
"unknown"
] | 0 | [
4.326923076923077,
1.1953846153846153,
1.5192307692307692,
1.5500000000000003,
0.9707692307692307,
0.9884615384615386,
0.9923076923076922,
0.9492307692307693,
0.9553846153846155,
0.8938461538461541,
0.8646153846153847,
1.036923076923077,
1.1192307692307693,
1.0307692307692309,
1.03153846... |
TPD11156 | FLSGIVGMLGKLE | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][P][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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Bra... | TPDB | true | [
"unknown"
] | 3 | [
4.203846153846154,
1.0161538461538462,
1.4969230769230768,
1.5107692307692306,
1.033076923076923,
1.02,
1.0161538461538462,
0.9761538461538461,
0.9023076923076923,
0.9215384615384615,
0.8984615384615385,
1.113076923076923,
1.1084615384615384,
1.0392307692307694,
0.9815384615384615,
1.0... |
TPD11170 | FLSLALAALPKFLCLVFKKC | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC... | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][C][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][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1... | TPDB | true | [
"unknown"
] | 2 | [
4.3660000000000005,
1.299,
1.7785000000000004,
1.6984999999999997,
0.9380000000000001,
0.915,
0.9249999999999998,
0.868,
0.7964999999999999,
0.9020000000000001,
0.9200000000000002,
1.1055,
1.1809999999999998,
1.1774999999999998,
1.0745000000000002,
1.076,
1.3310000000000002,
1.2505... |
TPD11174 | FLSLIPAAISAVSALANHF | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](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](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][Branch1][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Bran... | TPDB | true | [
"unknown"
] | 2 | [
4.355263157894737,
1.0636842105263156,
1.457894736842105,
1.5199999999999998,
0.9421052631578944,
0.9789473684210529,
0.9905263157894737,
0.9394736842105262,
0.8868421052631578,
0.9657894736842102,
0.9842105263157894,
1.0842105263157895,
1.135263157894737,
1.1405263157894738,
1.106315789... |
TPD11196 | FLSLIPHIASGIASLVKNF | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)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](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][O][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][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N]... | TPDB | true | [
"unknown"
] | 0 | [
4.314736842105264,
1.1484210526315788,
1.3768421052631576,
1.4021052631578945,
0.966315789473684,
0.9921052631578948,
0.9921052631578946,
0.957894736842105,
0.9178947368421053,
0.9336842105263157,
0.8747368421052633,
0.9931578947368421,
1.0542105263157895,
0.9957894736842107,
1.005789473... |
TPD11202 | FLSLIPHIVSGVASIAKHF | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][N][P][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][Branch2][#Branch2][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2... | TPDB | true | [
"unknown"
] | 3 | [
4.296842105263158,
1.166315789473684,
1.267894736842105,
1.3089473684210524,
0.9826315789473682,
0.993684210526316,
1.001578947368421,
0.9205263157894736,
0.8878947368421053,
0.9352631578947367,
0.9,
0.9789473684210527,
1.06,
0.946842105263158,
1.0068421052631578,
0.9536842105263157,
... |
TPD11210 | FLSLIPKAIKAVKALAKKL | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=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)N[C@@H](CCCCN... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=Branch2][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][... | TPDB | true | [
"unknown"
] | 2 | [
4.280526315789474,
1.267894736842105,
1.347894736842105,
1.4099999999999995,
0.9831578947368419,
0.9736842105263159,
0.966842105263158,
0.838421052631579,
0.8210526315789475,
1.0221052631578946,
0.9373684210526317,
1.1189473684210527,
1.261578947368421,
1.2657894736842104,
1.178421052631... |
TPD11212 | FLSLIPKAISAISALANHF | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)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](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H... | [C][C][C@H1][Branch1][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][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch2][=Branch2][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... | TPDB | true | [
"unknown"
] | 2 | [
4.35578947368421,
1.1394736842105262,
1.4184210526315788,
1.4736842105263155,
0.9557894736842102,
0.983684210526316,
1.0036842105263157,
0.946315789473684,
0.901578947368421,
0.9805263157894735,
0.9500000000000001,
1.0542105263157895,
1.135789473684211,
1.1257894736842107,
1.095789473684... |
TPD11216 | FLSLIPKAISAVSALANHF | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](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](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=Branch2][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][... | TPDB | true | [
"unknown"
] | 4 | [
4.35578947368421,
1.0921052631578945,
1.3989473684210523,
1.4457894736842103,
0.9468421052631576,
0.9831578947368422,
0.9863157894736841,
0.9347368421052631,
0.8957894736842105,
0.9647368421052629,
0.9531578947368421,
1.0521052631578949,
1.120526315789474,
1.1110526315789475,
1.084210526... |
TPD11218 | FLSLIPKIAGGIAALVKNL | CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)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](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][S][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][... | TPDB | true | [
"unknown"
] | 3 | [
4.238947368421053,
1.181578947368421,
1.4163157894736842,
1.4715789473684207,
0.993157894736842,
0.9878947368421054,
0.9889473684210528,
0.9221052631578949,
0.8647368421052631,
0.9452631578947367,
0.8752631578947367,
1.0642105263157895,
1.1273684210526316,
1.104736842105263,
1.0526315789... |
TPD11222 | FLSLIPKIISAISALIKHF | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)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](C(=O)N[C@@H](CCCCN)C(=O)... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][P][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch2][#C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N]... | TPDB | true | [
"unknown"
] | 0 | [
4.293157894736843,
1.3663157894736842,
1.437894736842105,
1.4789473684210523,
0.9821052631578946,
0.9736842105263159,
0.9963157894736842,
0.9210526315789473,
0.89,
0.9952631578947366,
0.8778947368421053,
1.0421052631578949,
1.1626315789473687,
1.0778947368421052,
1.0947368421052632,
1.... |
TPD11224 | FLSLIPKLVKKIIKAFK | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][=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][Branch2][Branch2][=C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1... | TPDB | true | [
"antibreastcancer",
"antilungcancer",
"antiprostatecancer"
] | 2 | [
4.27764705882353,
1.4688235294117644,
1.3088235294117643,
1.3458823529411763,
1.0023529411764704,
0.9858823529411765,
0.9505882352941176,
0.8441176470588236,
0.8552941176470588,
1.0141176470588236,
0.8452941176470591,
1.0429411764705883,
1.224705882352941,
1.1311764705882352,
1.115294117... |
TPD11229 | FLSLLPHIASGIASLVSKF | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)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](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][#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][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch2][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1]... | TPDB | true | [
"unknown"
] | 0 | [
4.313157894736842,
1.111578947368421,
1.509473684210526,
1.4968421052631575,
0.954736842105263,
0.9863157894736841,
0.9952631578947368,
0.9668421052631577,
0.916842105263158,
0.9268421052631579,
0.89,
1.0142105263157895,
1.04,
1.0126315789473685,
1.010526315789474,
0.9821052631578946,
... |
TPD11247 | FLSSRLQDLYSIVRRADRAA | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][=N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C... | TPDB | true | [
"antiangiogenesis"
] | 3 | [
4.3815,
0.8664999999999999,
1.1320000000000001,
1.2005,
0.9865,
0.9975000000000002,
0.9629999999999999,
1.003,
0.9305000000000001,
0.9875000000000004,
1.036,
1.1649999999999998,
1.1615,
1.264,
1.2114999999999996,
1.1824999999999997,
1.214,
1.1584999999999996,
1.2600000000000002,
... |
TPD11253 | FLSTIWNGIKSLL | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][C][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=Bran... | TPDB | true | [
"unknown"
] | 1 | [
4.323076923076924,
1.163846153846154,
1.4523076923076923,
1.4469230769230768,
0.939230769230769,
0.9523076923076925,
0.990769230769231,
0.9815384615384615,
0.9876923076923076,
0.8876923076923077,
0.8099999999999999,
1.046153846153846,
1.0215384615384613,
0.9661538461538461,
0.93307692307... |
TPD11278 | FLWIKLGKLAGAVLKLILGLKKVV | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][P][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][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][O][#Branch2][N][C][=Bran... | TPDB | true | [
"unknown"
] | 1 | [
4.19625,
1.2899999999999998,
1.4837499999999997,
1.5045833333333334,
1.0012499999999998,
0.9583333333333335,
0.9675000000000001,
0.8412499999999999,
0.8116666666666669,
0.9037500000000002,
0.8575,
1.16,
1.2104166666666665,
1.1374999999999997,
1.0695833333333338,
1.1158333333333335,
1... |
TPD11288 | FLWSRILFRLRK | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][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][Ring1][C][O][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]... | TPDB | true | [
"unknown"
] | 2 | [
4.373333333333334,
1.3749999999999998,
1.4549999999999998,
1.4924999999999997,
1.01,
0.9933333333333335,
0.9291666666666668,
0.9025,
0.8650000000000001,
0.9733333333333335,
0.9008333333333334,
1.2533333333333332,
1.2758333333333334,
1.2666666666666668,
1.185,
1.2133333333333334,
1.36... |
TPD11293 | FLYIVAKLLSGLL | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](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)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][Branch1][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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][... | TPDB | true | [
"unknown"
] | 2 | [
4.245384615384616,
1.3053846153846154,
1.8253846153846154,
1.793076923076923,
0.9738461538461537,
0.9461538461538462,
0.9615384615384616,
0.9123076923076923,
0.8399999999999999,
0.8807692307692309,
0.8576923076923078,
1.1607692307692306,
1.1846153846153844,
1.1653846153846155,
1.10307692... |
TPD11298 | FMEIET | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][=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][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch... | TPDB | true | [
"antibreastcancer"
] | 0 | [
4.343333333333333,
1.0683333333333334,
1.1900000000000002,
1.3383333333333336,
1.1166666666666667,
1,
1.0233333333333334,
1.0050000000000001,
1.0016666666666667,
1.3716666666666668,
1.2999999999999998,
1.3516666666666666,
1.3866666666666665,
1.3083333333333333,
1.2966666666666666,
1.27... |
TPD11341 | FNATYLKLTGEIADLEQRSESLRNTTEELQSLIYNINNTLVDL | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][Branch2][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][C@@H1][Branch2][=Branch2][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Bran... | TPDB | true | [
"unknown"
] | 0 | [
4.360930232558138,
0.7816279069767442,
1.1086046511627903,
1.1290697674418608,
0.998139534883721,
0.9588372093023252,
0.9902325581395348,
1.0509302325581396,
1.0179069767441862,
1.0639534883720936,
1.0544186046511628,
1.107674418604651,
1.0602325581395349,
1.1346511627906977,
1.109999999... |
TPD11363 | FNKRKPLSL | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch2][#C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H... | TPDB | true | [
"unknown"
] | 3 | [
4.421111111111111,
1.1155555555555556,
1.1888888888888889,
1.1644444444444444,
0.9811111111111109,
1.04,
0.9488888888888888,
0.9877777777777779,
0.9588888888888888,
0.9988888888888889,
0.8522222222222222,
0.9355555555555557,
1.0122222222222224,
1.0733333333333335,
1.0033333333333334,
0... |
TPD11391 | FP | N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)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][O] | TPDB | true | [
"unknown"
] | 1 | [
4.550000000000001,
1.9849999999999999,
1.3599999999999999,
1.395,
1.12,
1.215,
1,
1.105,
1.04,
1.285,
0.97,
0.625,
0.71,
0.5549999999999999,
0.7899999999999999,
0.53,
0.7100000000000001,
0.645,
0.35000000000000003,
0.65,
0.8500000000000001,
1.03,
1.4249999999999998,
1.3... |
TPD11401 | FPCEGKKCL | CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][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... | TPDB | true | [
"unknown"
] | 1 | [
4.394444444444445,
1.1644444444444444,
1.161111111111111,
1.0366666666666666,
1.0044444444444443,
0.9400000000000003,
0.941111111111111,
0.9000000000000001,
0.8011111111111111,
0.9933333333333333,
0.9122222222222222,
0.8566666666666666,
0.9122222222222222,
0.9122222222222222,
0.846666666... |
TPD11441 | FPKLLLKFLRLG | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)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](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][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][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@H1][B... | TPDB | true | [
"unknown"
] | 3 | [
4.3066666666666675,
1.3841666666666665,
1.8033333333333335,
1.7366666666666666,
1.0366666666666666,
1.0050000000000001,
0.98,
0.9583333333333334,
0.8675,
0.9525000000000001,
0.8908333333333333,
1.1233333333333333,
1.1591666666666667,
1.1625,
1.0841666666666667,
1.0799999999999998,
1.... |
TPD11489 | FPQKFIDLL | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][O][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@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C... | TPDB | true | [
"unknown"
] | 3 | [
4.393333333333334,
1.431111111111111,
1.491111111111111,
1.461111111111111,
1.0477777777777775,
1.0044444444444445,
1.0055555555555555,
1.041111111111111,
0.9855555555555556,
1.0822222222222222,
1.0488888888888888,
1.0799999999999998,
1.1455555555555554,
1.0233333333333334,
1.11555555555... |
TPD11510 | FPVPLPI | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][S][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@@H1][C]... | TPDB | true | [
"unknown"
] | 3 | [
4.292857142857144,
1.8485714285714285,
1.4285714285714284,
1.4357142857142855,
1.0742857142857143,
1.0857142857142859,
0.9471428571428572,
1.0371428571428571,
0.9371428571428572,
1.2242857142857144,
0.8671428571428571,
0.7699999999999999,
0.7842857142857141,
0.6828571428571429,
0.8571428... |
TPD11514 | FPVTWKWWKWWKG | CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)[C@@H](C)O | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][O][P][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=... | TPDB | true | [
"unknown"
] | 2 | [
4.457692307692308,
1.7007692307692308,
0.7046153846153846,
0.87,
0.9869230769230769,
1.0023076923076926,
1.0092307692307694,
0.803076923076923,
0.9507692307692306,
1.0915384615384616,
0.9315384615384616,
1.12,
0.9946153846153843,
0.7738461538461539,
0.7953846153846152,
1.09153846153846... |
TPD11522 | FPVTWRWWKWWKGKFPVTWRWWKWWKG | CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@... | [C][C][Branch1][C][C][C@H1][Branch3][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][N][C][=Branch1][C][=O][C@H1][Branch1]... | TPDB | true | [
"unknown"
] | 2 | [
4.455555555555556,
1.6396296296296293,
0.6911111111111109,
0.8655555555555553,
0.9974074074074074,
1.0103703703703701,
0.9959259259259258,
0.8155555555555556,
0.940740740740741,
1.0888888888888892,
0.937777777777778,
1.1466666666666665,
1.0137037037037038,
0.8274074074074073,
0.835555555... |
TPD11536 | FPYG | N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)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][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] | TPDB | true | [
"unknown"
] | 3 | [
4.4175,
1.48,
0.8999999999999999,
1.0225,
1.115,
1.2000000000000002,
1.05,
1.0374999999999999,
0.97,
1.0274999999999999,
0.83,
0.615,
0.68,
0.585,
0.73,
0.6025,
0.7100000000000001,
0.6275000000000001,
0.44000000000000006,
0.7750000000000001,
1.3425000000000002,
1.0725,
1.... |
TPD11545 | FQHPSFI | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][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@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][... | TPDB | true | [
"unknown"
] | 0 | [
4.458571428571429,
1.2671428571428573,
1.1614285714285713,
1.157142857142857,
1.0214285714285716,
1.0514285714285714,
1.022857142857143,
1.0185714285714285,
0.9928571428571429,
1.0685714285714287,
1.0328571428571427,
0.89,
1.0057142857142856,
0.7514285714285714,
0.9814285714285713,
0.8... |
TPD11580 | FQWQRNIRKVRPRVKRINRQWQF | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=Branch1][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][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1... | TPDB | true | [
"unknown"
] | 4 | [
4.388695652173913,
1.0604347826086955,
0.6930434782608696,
0.7904347826086956,
1.0156521739130435,
1.0221739130434782,
0.8830434782608697,
0.9013043478260869,
0.905217391304348,
1.0769565217391304,
0.993913043478261,
1.1647826086956525,
1.2221739130434783,
1.1056521739130436,
1.155652173... |
TPD11597 | FRAVELLA | 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](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)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][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][=N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][... | TPDB | true | [
"unknown"
] | 1 | [
4.29,
1.08625,
1.52125,
1.60375,
1.0375,
0.9662499999999998,
0.93875,
0.8725,
0.78125,
1.11125,
1.165,
1.39625,
1.39,
1.4712500000000004,
1.3725,
1.3175,
1.4687500000000002,
1.3799999999999997,
1.4700000000000002,
1.185,
0.8075000000000001,
1,
1.01625,
0.93125,
0.2891... |
TPD11599 | FRCLERVCT | CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][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][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C... | TPDB | true | [
"unknown"
] | 1 | [
4.386666666666667,
0.9700000000000001,
1.2666666666666666,
1.177777777777778,
0.9655555555555555,
0.8588888888888888,
0.8322222222222222,
0.868888888888889,
0.7811111111111111,
0.9099999999999999,
0.9488888888888888,
1.1011111111111112,
1.0977777777777777,
1.1366666666666667,
1.046666666... |
TPD11641 | FRKSKEKIGKEFKRIVQRIKDFLRNLV | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][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][=Branch1][C][=O][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][O][N][C][=B... | TPDB | true | [
"unknown"
] | 0 | [
4.321481481481482,
1.0851851851851853,
0.8403703703703703,
0.9166666666666666,
1.0548148148148146,
1.022592592592593,
0.9455555555555555,
0.9022222222222221,
0.897777777777778,
1.07,
0.9677777777777778,
1.1055555555555556,
1.221111111111111,
1.1896296296296296,
1.1785185185185185,
1.11... |
TPD11662 | FRRFFKWFRRPFKFF | N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C... | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Ring2][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][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch... | TPDB | true | [
"unknown"
] | 0 | [
4.533333333333332,
1.5626666666666664,
1.0779999999999998,
1.21,
1.078,
1.1153333333333333,
0.9293333333333333,
0.8726666666666669,
0.9000000000000002,
1.0393333333333334,
0.9626666666666667,
1.0993333333333335,
1.264,
1.13,
1.1506666666666667,
1.0479999999999998,
1.2326666666666668,... |
TPD11664 | FRRFFKWPRRPFKFF | N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc... | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Ring2][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][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch... | TPDB | true | [
"unknown"
] | 1 | [
4.5186666666666655,
1.5579999999999998,
0.9979999999999999,
1.1253333333333333,
1.086,
1.1280000000000001,
0.9359999999999999,
0.9026666666666668,
0.910666666666667,
1.0906666666666667,
0.9586666666666666,
1.036,
1.1733333333333331,
1.076,
1.1039999999999999,
1.0039999999999998,
1.14... |
TPD11668 | FRRKAFLHWYTG | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch1][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][C][C][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... | TPDB | true | [
"unknown"
] | 3 | [
4.434166666666667,
1.1491666666666667,
0.9658333333333334,
1.0983333333333332,
1.0408333333333333,
1.0366666666666668,
1.0183333333333333,
0.8908333333333335,
0.8933333333333334,
0.9433333333333334,
0.98,
1.0775,
1.14,
1.08,
1.0600000000000003,
1.1016666666666666,
1.1783333333333335,... |
TPD11672 | FRRPFKWFRRFFKFF | N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](... | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][O][=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][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][... | TPDB | true | [
"unknown"
] | 4 | [
4.533333333333332,
1.5626666666666664,
1.078,
1.21,
1.078,
1.1153333333333335,
0.9293333333333332,
0.8726666666666669,
0.9000000000000002,
1.0393333333333337,
0.9626666666666667,
1.0993333333333333,
1.2640000000000002,
1.1300000000000001,
1.1506666666666667,
1.0479999999999998,
1.232... |
TPD11687 | FRVGVADV | CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(=O)O | [C][C][Branch1][C][C][C@H1][Branch2][#Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Ring2][N][C][=Branch1]... | TPDB | true | [
"unknown"
] | 0 | [
4.24625,
0.9650000000000002,
0.89,
1.0274999999999999,
1.0275,
1.01875,
0.9149999999999999,
0.89125,
0.87,
0.8774999999999998,
0.9662499999999999,
1.0925,
1.10625,
1.0175,
1.0725,
0.9762499999999998,
1.0174999999999998,
0.9975,
0.87125,
0.835,
1.0050000000000001,
0.92375000... |
TPD11694 | FRVTWRTKWWKG | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O | [C][C][Branch1][C][C][C@H1][Branch2][Ring2][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][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch2][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C]... | TPDB | true | [
"unknown"
] | 4 | [
4.405,
1.2466666666666668,
0.6699999999999998,
0.8375,
0.9974999999999999,
0.9950000000000001,
0.9691666666666668,
0.8350000000000001,
0.9541666666666666,
0.9825,
0.9158333333333334,
1.1366666666666667,
1.0716666666666665,
0.9558333333333332,
0.9291666666666667,
1.1158333333333332,
1... |
TPD11713 | FSDARL | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][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][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][O][N][C][=Br... | TPDB | true | [
"unknown"
] | 3 | [
4.47,
0.8783333333333333,
1.265,
1.32,
0.9966666666666666,
1.0183333333333333,
1.02,
1.0766666666666667,
1.0016666666666667,
0.9733333333333333,
1.0966666666666667,
1.1483333333333334,
1.1233333333333333,
1.2550000000000001,
1.1849999999999998,
1.13,
1.2416666666666667,
1.098333333... |
TPD11721 | FSDNDKLYLY | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch2][=Branch1][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][#Branch1][C][C][Branch1][C][C][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 | [
4.533,
1.1019999999999999,
1.0559999999999998,
1.076,
0.993,
1.0190000000000001,
1.037,
1.104,
1.0710000000000002,
0.945,
0.9720000000000001,
0.922,
0.95,
1.016,
1.016,
1.0180000000000002,
1.108,
1.049,
1.0290000000000001,
1.128,
0.9019999999999999,
1.0770000000000002,
0.... |
TPD11724 | FSDTRL | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][#Branch2][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][Ring2][O][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][... | TPDB | true | [
"unknown"
] | 2 | [
4.47,
0.785,
1.2083333333333333,
1.2116666666666667,
0.985,
0.9883333333333333,
1.0166666666666668,
1.14,
1.125,
0.9183333333333333,
1.0183333333333333,
1.035,
0.9733333333333333,
1.0716666666666665,
1.0533333333333332,
1.0133333333333334,
1.03,
0.9716666666666666,
1.016666666666... |
TPD11744 | FSGSGSGSGAGYLLGKINLKALAALAKKILGC | 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][Branch3][Ring1][Branch1][#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][=Br... | TPDB | true | [
"unknown"
] | 2 | [
4.2675,
0.8434375,
1.25625,
1.2846874999999995,
0.9740625,
1.0071875,
1.0265625,
0.9503125000000002,
0.8843750000000002,
0.8418750000000002,
0.8475000000000001,
0.9715624999999999,
0.9934375,
1.0321874999999998,
0.9318750000000002,
0.9474999999999997,
1.1015625,
1.0259375000000002,... |
TPD11746 | FSGSGSGSGRRRRRRRRGC | N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CS)... | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][#Branch1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O]... | TPDB | true | [
"unknown"
] | 0 | [
4.326315789473685,
0.44421052631578933,
0.6199999999999998,
0.6947368421052629,
1.0273684210526315,
1.1042105263157898,
0.9563157894736845,
1.0126315789473685,
0.9110526315789473,
0.8184210526315792,
0.796315789473684,
0.9210526315789473,
0.8794736842105264,
1.0331578947368423,
0.9189473... |
TPD11762 | FSLNWRPPCLFYGRKKRRQRRR | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)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][C][Branch1][C][C][C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][... | TPDB | true | [
"unknown"
] | 1 | [
4.429999999999999,
1.0581818181818183,
0.8581818181818178,
0.9131818181818179,
1.0290909090909088,
1.0550000000000002,
0.9149999999999998,
0.9481818181818181,
0.8831818181818185,
1.0104545454545455,
0.9049999999999998,
1.022272727272727,
1.0586363636363638,
1.1172727272727274,
1.05636363... |
TPD11765 | FSPAG | C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)O | [C][C@H1][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] | TPDB | true | [
"unknown"
] | 0 | [
4.384,
0.9400000000000001,
1.0719999999999998,
1.1560000000000001,
1.01,
1.136,
1.0539999999999998,
1.06,
0.9960000000000001,
1.006,
0.9339999999999999,
0.77,
0.756,
0.78,
0.8119999999999999,
0.704,
0.8240000000000001,
0.648,
0.7220000000000001,
0.85,
1.1700000000000002,
0.... |
TPD11769 | FSPFG | N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)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][C][C][C@H1][Ring1][Branch1][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][=Branch1][C][=O][O] | TPDB | true | [
"unknown"
] | 0 | [
4.446,
1.222,
1.228,
1.2499999999999998,
1.034,
1.1640000000000001,
1.034,
1.0859999999999999,
1.0539999999999998,
0.966,
0.8560000000000001,
0.704,
0.724,
0.6119999999999999,
0.736,
0.5780000000000001,
0.748,
0.626,
0.48200000000000004,
0.852,
1.2240000000000002,
0.9800000... |
TPD11773 | FSPQMLQDIIEKKTKIL | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][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][... | TPDB | true | [
"unknown"
] | 1 | [
4.32529411764706,
1.1382352941176475,
1.1641176470588235,
1.1870588235294117,
1.0211764705882351,
0.9811764705882356,
0.9941176470588234,
0.9964705882352944,
0.9870588235294117,
1.1300000000000001,
1.0411764705882354,
1.1052941176470588,
1.1994117647058822,
1.0952941176470588,
1.13529411... |
TPD11813 | FTDIRL | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1... | TPDB | true | [
"unknown"
] | 2 | [
4.378333333333333,
1.1466666666666667,
1.2883333333333333,
1.3550000000000002,
1.0483333333333333,
0.965,
1.0150000000000001,
1.0733333333333333,
1.0466666666666666,
0.96,
1.01,
1.13,
1.145,
1.1416666666666668,
1.1516666666666666,
1.0733333333333333,
1.1133333333333333,
1.165,
1.... |
TPD11825 | FTILKKLKSFIK | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)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](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][=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][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][#Branch1][C][C][Branch... | TPDB | true | [
"unknown"
] | 4 | [
4.320833333333334,
1.3533333333333335,
1.2775,
1.2983333333333333,
0.9866666666666668,
0.9716666666666667,
0.9658333333333332,
0.8625000000000002,
0.9233333333333333,
0.9583333333333335,
0.8258333333333335,
1.02,
1.2175,
1.1141666666666665,
1.0908333333333333,
1.0624999999999998,
1.2... |
TPD11846 | FTPFV | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)O | [C][C][Branch1][C][C][C@H1][Branch2][Branch1][=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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring... | TPDB | true | [
"unknown"
] | 2 | [
4.412,
1.472,
1.3199999999999998,
1.374,
1.014,
1.044,
0.9200000000000002,
0.96,
1.024,
1,
0.9119999999999999,
0.8480000000000001,
0.9279999999999999,
0.716,
0.8960000000000001,
0.73,
0.834,
0.8320000000000001,
0.476,
0.756,
0.818,
0.9380000000000001,
1.05,
0.9612,
0.... |
TPD11875 | FV | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] | TPDB | true | [
"unknown"
] | 3 | [
4.305,
1.67,
1.52,
1.585,
0.98,
0.9950000000000001,
0.7849999999999999,
0.73,
0.815,
0.8300000000000001,
0.85,
1.12,
1.285,
0.885,
1.085,
0.8999999999999999,
1.145,
1.15,
0.5900000000000001,
0.83,
0.785,
0.895,
0.8049999999999999,
1.0350000000000001,
0.4625,
0.382,
... |
TPD11894 | FVDLKKIANIINSIFGK | 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](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)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](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)[C@@H](C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][#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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Bran... | TPDB | true | [
"unknown"
] | 0 | [
4.31764705882353,
1.2076470588235295,
1.0211764705882351,
1.113529411764706,
0.9952941176470589,
1.0005882352941178,
0.9805882352941175,
0.9305882352941177,
0.9447058823529411,
0.9364705882352943,
0.8400000000000001,
0.9788235294117648,
1.1282352941176472,
1.025294117647059,
1.0323529411... |
TPD11900 | FVDVRL | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][=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][Ring2][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][N][C][... | TPDB | true | [
"unknown"
] | 0 | [
4.3116666666666665,
1.2083333333333333,
1.2666666666666666,
1.305,
1.025,
0.975,
0.8916666666666667,
0.945,
0.9049999999999999,
0.9083333333333332,
0.9833333333333334,
1.1883333333333335,
1.1849999999999998,
1.1133333333333333,
1.165,
1.0816666666666668,
1.1583333333333334,
1.16666... |
TPD11920 | FVIDGFDEL | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Br... | TPDB | true | [
"unknown"
] | 3 | [
4.352222222222222,
1.1744444444444446,
1.1533333333333333,
1.2144444444444444,
1.1122222222222222,
1.02,
1.0644444444444443,
1.092222222222222,
1.0266666666666668,
1.0655555555555556,
1.1388888888888888,
1.1222222222222222,
1.08,
1.0155555555555555,
1.1066666666666665,
0.97999999999999... |
TPD11927 | FVKLKKILNIILSIFKK | 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](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](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(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H]... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][=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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C]... | TPDB | true | [
"unknown"
] | 4 | [
4.272352941176472,
1.4523529411764704,
1.2935294117647056,
1.3235294117647058,
0.9870588235294119,
0.9647058823529415,
0.936470588235294,
0.8417647058823531,
0.8711764705882352,
0.9558823529411766,
0.7852941176470589,
1.051764705882353,
1.2535294117647058,
1.1235294117647057,
1.107647058... |
TPD11928 | FVKLKKILNIINSIFKK | 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](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][=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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C]... | TPDB | true | [
"unknown"
] | 0 | [
4.306470588235294,
1.365882352941176,
1.1170588235294117,
1.1670588235294115,
0.9776470588235294,
0.9794117647058826,
0.9335294117647057,
0.855294117647059,
0.8999999999999998,
0.9488235294117648,
0.7711764705882354,
0.9947058823529412,
1.2088235294117649,
1.08,
1.0676470588235296,
1.0... |
TPD12018 | FVYGEPREL | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch2][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][... | TPDB | true | [
"unknown"
] | 2 | [
4.305555555555555,
1.1455555555555557,
0.9255555555555556,
1.0077777777777779,
1.1422222222222222,
1.0766666666666669,
0.9788888888888889,
0.9822222222222222,
0.8866666666666666,
1.2622222222222221,
1.1133333333333333,
1.0944444444444443,
1.0366666666666666,
1.0900000000000003,
1.1355555... |
TPD12033 | FWGALAKGALKLIGPGSLFSSFSKKD | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][Ring2][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][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][... | TPDB | true | [
"unknown"
] | 2 | [
4.341538461538462,
1.0142307692307693,
1.2096153846153843,
1.2484615384615385,
0.9903846153846155,
1.036923076923077,
1.0403846153846155,
0.9792307692307691,
0.9519230769230769,
0.9326923076923074,
0.9111538461538463,
0.9823076923076921,
0.9919230769230771,
0.9961538461538464,
0.94884615... |
TPD12037 | FWGALAKGALKLIPSLFSSFSKKD | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][Ring2][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][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][... | TPDB | true | [
"unknown"
] | 0 | [
4.3725,
1.0929166666666668,
1.269583333333333,
1.300833333333333,
0.9745833333333335,
1.0191666666666668,
1.0220833333333335,
0.9658333333333332,
0.9495833333333333,
0.964583333333333,
0.9329166666666668,
1.0175,
1.04375,
1.0525000000000002,
1.002916666666667,
1.0137500000000002,
1.1... |
TPD12053 | FWGFLGKLAMKAVPSLIGGNKSSSK | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][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][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][O][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C]... | TPDB | true | [
"unknown"
] | 3 | [
4.3264,
0.9723999999999999,
1.1603999999999997,
1.2067999999999999,
0.9672000000000002,
1.0419999999999998,
1.0088000000000001,
0.9575999999999998,
0.9471999999999998,
0.9059999999999999,
0.8488000000000002,
0.9583999999999999,
0.9916000000000003,
0.9580000000000003,
0.8984000000000001,
... |
TPD12059 | FWGLKGLKKFSKKL | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][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][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=... | TPDB | true | [
"unknown"
] | 3 | [
4.340714285714285,
1.2300000000000002,
1.1878571428571427,
1.1950000000000003,
1.0057142857142856,
1.025714285714286,
1.0121428571428572,
0.875,
0.9028571428571429,
0.9207142857142857,
0.8442857142857144,
1.0192857142857144,
1.1064285714285713,
1.0371428571428571,
0.9642857142857143,
1... |
TPD12128 | FWQRRIRRWRRFWQRRIRRWRR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][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][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][... | TPDB | true | [
"unknown"
] | 3 | [
4.423636363636363,
1.1945454545454548,
0.6245454545454544,
0.8245454545454542,
1.0718181818181818,
1.049090909090909,
0.8863636363636362,
0.8654545454545454,
0.8390909090909091,
1.0990909090909093,
1.0127272727272727,
1.368181818181818,
1.3481818181818186,
1.341818181818182,
1.2818181818... |
TPD12174 | FWTERAGWAY | C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)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][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][... | TPDB | true | [
"unknown"
] | 1 | [
4.4350000000000005,
1.161,
0.7889999999999999,
1.02,
1.041,
1.0230000000000001,
1.032,
0.881,
0.909,
1.1280000000000001,
1.1300000000000001,
1.231,
1.137,
1.1310000000000002,
1.0859999999999999,
1.198,
1.223,
1.049,
1.1510000000000002,
1.008,
1.026,
1.0130000000000001,
0.... |
TPD12190 | FYCVIERLGVCLY | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][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@@H1][Branch1][C][N][C][C][=C][C][=C][C][=... | TPDB | true | [
"antibreastcancer"
] | 0 | [
4.306923076923077,
1.3061538461538462,
1.3376923076923077,
1.3046153846153847,
0.9884615384615383,
0.9099999999999999,
0.8707692307692306,
0.84,
0.7476923076923077,
0.8892307692307693,
0.8484615384615384,
1.040769230769231,
1.0830769230769228,
1.023846153846154,
1.0092307692307694,
0.9... |
TPD12234 | FYPFA | C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C@H1][Branch2][=Branch1][Ring1][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][C][C][C][N][Ring1][Branch1][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][... | TPDB | true | [
"unknown"
] | 1 | [
4.542,
1.6959999999999997,
1.25,
1.4120000000000001,
1.0559999999999998,
1.1300000000000001,
0.9879999999999999,
0.9280000000000002,
0.906,
1.112,
1.012,
0.8859999999999999,
1.0579999999999998,
0.9560000000000001,
1.0559999999999998,
0.8939999999999999,
1.1199999999999999,
0.972000... |
TPD12236 | FYPFI | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][Ring1][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C]... | TPDB | true | [
"unknown"
] | 3 | [
4.462,
2.018,
1.304,
1.434,
1.082,
1.1099999999999999,
0.968,
0.9380000000000001,
0.9279999999999999,
1.1039999999999999,
0.8619999999999999,
0.836,
1.0419999999999998,
0.8140000000000001,
1.002,
0.8039999999999999,
1.004,
1.022,
0.6,
0.834,
0.8620000000000001,
1.0799999999... |
TPD12241 | FYPRPYRPPYLPDPRPFPRPLPAFGHEFRRH | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C... | [C][C][Branch1][C][C][C][C@H1][Branch2][O][=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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=B... | TPDB | true | [
"unknown"
] | 0 | [
4.454516129032256,
1.3777419354838711,
0.8619354838709676,
0.95,
1.1283870967741931,
1.1522580645161289,
1.0183870967741937,
1.073225806451613,
0.9506451612903228,
1.2258064516129028,
1.018709677419355,
0.7993548387096776,
0.8180645161290322,
0.8729032258064519,
0.9619354838709676,
0.8... |
TPD12286 | GACTKSIPPICFPD | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1]... | TPDB | true | [
"unknown"
] | 4 | [
4.390714285714285,
1.202857142857143,
1.0364285714285715,
1.0214285714285716,
0.9885714285714285,
0.9850000000000001,
0.99,
1.027857142857143,
0.9535714285714285,
1.0000000000000002,
0.8735714285714286,
0.7157142857142859,
0.7492857142857143,
0.7371428571428572,
0.7735714285714287,
0.6... |
TPD12332 | GAGIVVASIDTGVRVSHE | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][N][=C][C][=Branch1][C][=O][N][C@H1][Branch2][O][S][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H... | TPDB | true | [
"unknown"
] | 2 | [
4.206666666666667,
0.7466666666666668,
0.8055555555555556,
0.9177777777777778,
1.0172222222222222,
1.0016666666666667,
0.9972222222222222,
0.9472222222222223,
0.9188888888888891,
0.928888888888889,
0.9516666666666664,
1.001111111111111,
0.9794444444444443,
0.9355555555555557,
0.985000000... |
TPD1234 | AGTRMSWEVL | CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)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][Ring2][#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][P][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Br... | TPDB | true | [
"unknown"
] | 2 | [
4.3180000000000005,
0.853,
1.154,
1.2690000000000001,
0.9880000000000001,
0.992,
0.9849999999999998,
0.951,
0.9389999999999997,
1.0339999999999998,
1.0479999999999998,
1.24,
1.151,
1.155,
1.057,
1.191,
1.208,
1.081,
1.1460000000000001,
1.024,
0.951,
0.966,
0.9719999999999... |
TPD12354 | GAISLAPKLQINE | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][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][C][C][C][=Branch1][C][=O][N][C][C][C]... | TPDB | true | [
"unknown"
] | 4 | [
4.2784615384615385,
0.9592307692307694,
1.1584615384615384,
1.2053846153846153,
1.0107692307692309,
0.9961538461538464,
1.0038461538461538,
0.9900000000000001,
0.9184615384615383,
1.110769230769231,
1.023076923076923,
1.083076923076923,
1.0953846153846152,
1.1176923076923078,
1.100769230... |
TPD12386 | GALFLAFLAAALSLMGLWSQPKKKRKV | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=... | [C][S][C][C][C@H1][Branch2][N][#Branch1][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][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C]... | TPDB | true | [
"unknown"
] | 1 | [
4.327037037037037,
1.0670370370370368,
1.4281481481481484,
1.4740740740740736,
0.9755555555555557,
0.9985185185185182,
0.9862962962962963,
0.9066666666666665,
0.864814814814815,
0.975185185185185,
0.9881481481481484,
1.1666666666666663,
1.2092592592592595,
1.2096296296296296,
1.109259259... |
TPD12409 | GAMSSLMKKLAAHIAK | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][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][C][C][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][... | TPDB | true | [
"unknown"
] | 0 | [
4.338125000000001,
0.8943749999999999,
1.3056249999999998,
1.4168749999999999,
0.9556249999999998,
1.0075000000000003,
1.035625,
0.89625,
0.864375,
0.94875,
1.000625,
1.1375,
1.2875,
1.271875,
1.1175,
1.2249999999999996,
1.3831250000000002,
1.3043749999999998,
1.3693749999999998,... |
TPD12412 | GANAAKKLATFAKKIFTAYW | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cc... | [C][C][C@H1][Branch1][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=B... | TPDB | true | [
"unknown"
] | 4 | [
4.385,
1.0405,
0.974,
1.1545,
0.978,
0.9980000000000002,
1.0110000000000001,
0.8415000000000001,
0.8854999999999998,
0.9840000000000002,
1.0040000000000002,
1.085,
1.2145000000000001,
1.214,
1.1184999999999998,
1.1449999999999998,
1.2760000000000002,
1.2234999999999998,
1.2694999... |
TPD1243 | AGVSGHGQHGVHG | CC(C)[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCC(N)=O)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)NCC(=O)O)C(C)C | [C][C][Branch1][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][... | TPDB | true | [
"unknown"
] | 0 | [
4.22,
0.42153846153846153,
0.6469230769230768,
0.7023076923076922,
1.0553846153846154,
1.0707692307692307,
1.1315384615384614,
0.9823076923076923,
0.8999999999999999,
0.7676923076923079,
0.9546153846153846,
0.81,
0.7923076923076923,
0.6184615384615384,
0.7415384615384616,
0.76153846153... |
TPD12454 | GARECESGGPGMRKLCTQIN | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][S][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O]... | TPDB | true | [
"antibreastcancer"
] | 3 | [
4.314,
0.668,
0.9235000000000001,
0.9415000000000001,
1.0190000000000001,
1.0050000000000001,
0.9910000000000002,
1.0050000000000001,
0.9115000000000002,
0.984,
0.9670000000000002,
0.9730000000000002,
0.9525,
0.9880000000000001,
0.9155,
0.9309999999999998,
0.9105000000000002,
0.919... |
TPD12456 | GARELRRLERELRRLEGGGGGGGKLAALKFKLLWLKLAC | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)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](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O... | [C][C][Branch1][C][C][C][C@H1][Branch3][Ring1][=Branch1][C][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][C][=Bran... | TPDB | true | [
"unknown"
] | 4 | [
4.249999999999998,
0.8748717948717948,
1.216410256410256,
1.2579487179487179,
1.0751282051282054,
1.0151282051282047,
1.0171794871794877,
0.9456410256410255,
0.83,
1.0112820512820515,
1.0169230769230764,
1.1989743589743591,
1.1441025641025644,
1.2541025641025638,
1.1164102564102565,
1.... |
TPD12458 | GARELRRLERELRRLEKGGGGGGKLAALTFEHYWAQLTSC | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)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](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C... | [C][C][Branch1][C][C][C][C@H1][Branch3][Ring1][=Branch1][=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][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][C... | TPDB | true | [
"unknown"
] | 2 | [
4.290999999999999,
0.75675,
1.0329999999999997,
1.0922499999999997,
1.0702499999999997,
1.0127499999999996,
1.0240000000000005,
0.9697500000000001,
0.87625,
1.0497500000000004,
1.0742499999999997,
1.1637499999999998,
1.0990000000000002,
1.1959999999999997,
1.1104999999999996,
1.1222499... |
TPD1247 | AGWGSIFKHIFKAGKFIHGAIQAHND | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][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][Branch2][=C][=C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][... | TPDB | true | [
"unknown"
] | 3 | [
4.350384615384615,
1.006153846153846,
0.854230769230769,
0.9853846153846154,
1.0384615384615385,
1.035769230769231,
1.0876923076923077,
0.9300000000000002,
0.911923076923077,
0.9426923076923077,
0.9961538461538464,
0.9842307692307692,
1.091923076923077,
0.9526923076923078,
0.994615384615... |
TPD12503 | GAVPCGESCVYLPCLTTVVGCSCQNSVCYHN | CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)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](NC(=O)[C@H](C)NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@... | [C][C][Branch1][C][C][C][C@H1][Branch2][O][P][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1... | TPDB | true | [
"unknown"
] | 1 | [
4.365161290322582,
0.8390322580645161,
1.107741935483871,
1.0019354838709678,
0.8970967741935484,
0.8938709677419358,
0.8903225806451616,
0.9287096774193545,
0.8577419354838713,
0.8051612903225805,
0.8193548387096775,
0.7996774193548386,
0.7812903225806452,
0.7483870967741938,
0.74870967... |
TPD12505 | GAVPCGETCVYLPCITPDIGCSCQNKVCYRD | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][=N][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch2][N][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ri... | TPDB | true | [
"unknown"
] | 3 | [
4.37,
0.9719354838709677,
0.9835483870967743,
0.924193548387097,
0.9554838709677421,
0.9174193548387097,
0.924193548387097,
0.9661290322580643,
0.8803225806451617,
0.8912903225806452,
0.8687096774193548,
0.8070967741935483,
0.8058064516129031,
0.7961290322580645,
0.7990322580645162,
0.... |
TPD12526 | GC | NCC(=O)N[C@@H](CS)C(=O)O | [N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O] | TPDB | true | [
"unknown"
] | 3 | [
4.3100000000000005,
0.5700000000000001,
1.19,
0.925,
0.8899999999999999,
0.83,
0.9299999999999999,
0.8999999999999999,
0.675,
0.405,
0.585,
0.54,
0.48,
0.43500000000000005,
0.28,
0.32999999999999996,
0.475,
0.32,
0.33,
0.59,
1.59,
0.875,
0.615,
0.8600000000000001,
0.1... |
TPD12545 | GCGGGYGRKKRRQRRR | N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)CN)C(=O)O | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][=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][#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]... | TPDB | true | [
"unknown"
] | 1 | [
4.279375,
0.575,
0.42312500000000003,
0.5325000000000001,
1.0899999999999999,
1.1025000000000003,
0.9693750000000002,
0.935,
0.8362499999999999,
0.8606250000000002,
0.8374999999999998,
0.9387500000000001,
0.9800000000000002,
1.055625,
0.9593750000000001,
0.95,
0.8806250000000001,
0... |
TPD12565 | GCNGRC | N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)O | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Ring2][=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][Ring1][C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O] | TPDB | true | [
"unknown"
] | 0 | [
4.395,
0.49000000000000005,
0.8649999999999999,
0.7366666666666667,
0.9166666666666666,
0.9183333333333333,
0.9066666666666666,
0.9566666666666667,
0.79,
0.565,
0.6599999999999999,
0.6733333333333335,
0.6516666666666667,
0.7000000000000001,
0.5316666666666667,
0.5666666666666668,
0.6... |
TPD12573 | GCRALCYKQRCVTYCRGA | CC(C)C[C@H](NC(=O)[C@H](C)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](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(=O)O)[C@@H... | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][N][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][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1... | TPDB | true | [
"unknown"
] | 0 | [
4.376666666666667,
0.8472222222222223,
1.0116666666666667,
0.9794444444444443,
0.9366666666666666,
0.8994444444444445,
0.8766666666666665,
0.8433333333333334,
0.7477777777777779,
0.7905555555555556,
0.8555555555555555,
0.9450000000000001,
1.0066666666666668,
1.0355555555555558,
0.9311111... |
TPD12577 | GCRLYGFKIFGCG | 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](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)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"
] | 4 | [
4.304615384615385,
1.0646153846153847,
1.1530769230769233,
1.1446153846153846,
1.0215384615384615,
1.0046153846153847,
0.9823076923076921,
0.9084615384615385,
0.8130769230769231,
0.733846153846154,
0.7438461538461538,
0.8446153846153847,
0.9123076923076923,
0.8261538461538463,
0.78,
0.... |
TPD12579 | GCRLYGFKIWGG | 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](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=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"
] | 4 | [
4.279166666666668,
1.116666666666667,
0.9925,
1.0583333333333333,
1.0441666666666667,
1.0358333333333334,
1.0233333333333332,
0.9125000000000001,
0.8483333333333335,
0.8033333333333336,
0.7708333333333334,
0.92,
0.9149999999999999,
0.8258333333333335,
0.785,
0.8324999999999999,
0.945... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.