Unnamed: 0 int64 0 107k | Period stringclasses 2
values | Step float64 0 999 | Mask Position float64 -1 8 ⌀ | Input_CHUCKLES stringlengths 124 274 ⌀ | Monomers stringlengths 7 164 ⌀ | CHUCKLES stringlengths 152 317 | SMILES stringlengths 145 309 | Scaffold stringlengths 90 206 | predictive_model float64 0.16 0.96 | maximum_ring_size float64 0.01 1 | lipophilicity float64 0.01 1 | custom_alerts float64 1 1 | raw_predictive_model float64 0.16 0.96 | raw_maximum_ring_size float64 15 31 | raw_lipophilicity float64 -11.21 -0.28 | raw_custom_alerts float64 1 1 | total_score float64 0.4 0.98 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
35,500 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(C)(C)NS(=O)(=O)C[C@@H]1CCCO1)C(=O)|N(C)[C@H](CC(=O)N)C(=O)|N[C@@H]([C@H](C)NC(=O)N[C@@H]1CCCNC1=O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)C[C@@H]1CCCO1)C(=O)N(C)[C@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@H](C)NC(=O)N[C@@H]1CCCNC1=O)C2(=O) | C[C@H](NC(=O)N[C@@H]1CCCNC1=O)[C@@H]1NC(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@H](C(C)(C)NS(=O)(=O)C[C@@H]2CCCO2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)C(CNS(=O)(=O)CC2CCCO2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)NC2CCCNC2=O)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.600284 | 0.999999 | 0.999351 | 1 | 0.600284 | 27 | -5.68743 | 1 | 0.774696 |
35,501 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C)C(=O)|N(C)[C@@H](C[C@@]1(C[C@@H](C)C(=O)C1)C)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C[C@@]1(C[C@@H](C)C(=O)C1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H]1C[C@@](C)(C[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(=O)N2C)CC1=O | O=C1CCC(CC2NC(=O)CNC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)C1 | 0.571449 | 0.999999 | 0.369447 | 1 | 0.571449 | 27 | -2.26783 | 1 | 0.640345 |
35,502 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CS)C(=O)|N(C)[C@@H]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CS)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CC[C@H](NC(=O)N1CCC[C@H]1C(N)=O)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CS)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.676495 | 0.999999 | 0.984935 | 1 | 0.676495 | 27 | -4.31543 | 1 | 0.820415 |
35,503 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N1[C@@H](CCC1)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N(C)CC2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)CC2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.692387 | 0.999999 | 0.96066 | 1 | 0.692387 | 27 | -3.88773 | 1 | 0.82655 |
35,504 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H]([C@@H](NC(=O)[C@@H]1COCCO1)C(F)(F)F)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N[C@@H](CS)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H]([C@@H](NC(=O)[C@@H]1COCCO1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CS)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]([C@@H](NC(=O)[C@@H]3COCCO3)C(F)(F)F)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CS)NC2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(CNC(=O)C2COCCO2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.661235 | 0.999999 | 0.997706 | 1 | 0.661235 | 27 | -5.13843 | 1 | 0.812852 |
35,505 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H](CO)C(=O)|N(C)[C@@H]([C@H](NC(=O)c1c(C)nns1)C(C)C)C(=O)|N(C)[C@@H](C(C)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H]([C@H](NC(=O)c1c(C)nns1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](C(C)C)C2(=O) | Cc1nnsc1C(=O)N[C@H](C(C)C)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N1C | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2cnns2)N1 | 0.587334 | 0.999999 | 0.814765 | 1 | 0.587334 | 27 | -3.14331 | 1 | 0.740653 |
35,506 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](NC(=O)C1(N)CCOCC1)C1CC1)C(=O)|N(C)[C@@H](CC(C)C)C(=O)|N[C@@H]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](NC(=O)C1(N)CCOCC1)C1CC1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)C2(=O) | CC[C@H](NC(=O)N1CCC[C@H]1C(N)=O)[C@@H]1NC(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](NC(=O)C2(N)CCOCC2)C2CC2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)C(C(NC(=O)C2CCOCC2)C2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.592391 | 0.999999 | 0.912721 | 1 | 0.592391 | 27 | -3.51943 | 1 | 0.758043 |
35,507 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H]([C@@H](N(CC)C(=O)N1CCNC(=O)C1)C)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N[C@@H]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H]([C@@H](N(CC)C(=O)N1CCNC(=O)C1)C)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)C2(=O) | CC[C@H](NC(=O)N1CCC[C@H]1C(N)=O)[C@@H]1NC(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@H](C)N(CC)C(=O)N2CCNC(=O)C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)C(CNC(=O)N2CCNC(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.498635 | 0.999999 | 0.999788 | 1 | 0.498635 | 27 | -6.17283 | 1 | 0.706116 |
35,508 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C)NC(=O)N1CC(=O)NC(=O)[C@@H]1C)C(=O)|N[C@@H](CC(=O)N)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)N1CC(=O)NC(=O)[C@@H]1C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@H](NC(=O)N1CC(=O)NC(=O)[C@@H]1C)[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)N2CC(=O)NC(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.672455 | 0.999999 | 0.999938 | 1 | 0.672455 | 27 | -6.70493 | 1 | 0.820025 |
35,509 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CO)C(=O)|N(C)[C@@H](CN(C)C(=O)N1CCNC(=O)C1(C)C)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N(C)[C@@H](CN(C)C(=O)N1CCNC(=O)C1(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CO)C(=O)N(C)[C@@H](CN(C)C(=O)N2CCNC(=O)C2(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CN(C(=O)NCC2NC(=O)CNC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CCN1 | 0.690618 | 0.999999 | 0.998823 | 1 | 0.690618 | 27 | -5.42863 | 1 | 0.830871 |
35,510 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H](CC(=O)N)C(=O)|N(C)CC(=O)|N(C)[C@@H]([C@@H](NC(=O)C)c1ccc(C)cn1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC(=O)N)C(=O)N(C)CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](NC(=O)C)c1ccc(C)cn1)C2(=O) | CC(=O)N[C@@H](c1ccc(C)cn1)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccn2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.46355 | 0.999999 | 0.98504 | 1 | 0.46355 | 27 | -4.31851 | 1 | 0.679137 |
35,511 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H](CN(C(C)C)C(=O)[C@]1(N)CCOC1)C(=O)|N(C)[C@@H](CCC(=O)N)C(=O)|N(C)[C@@H](CC1CN(CC[S@](=O)C)C1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CN(C(C)C)C(=O)[C@]1(N)CCOC1)C(=O)N(C)[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC1CN(CC[S@](=O)C)C1)C2(=O) | CC(C)N(C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC2CN(CC[S@@](C)=O)C2)N(C)C(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)N(C)C1=O)C(=O)[C@]1(N)CCOC1 | O=C1CNC(=O)C(CNC(=O)C2CCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CC2CNC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.639847 | 0.999999 | 0.997409 | 1 | 0.639847 | 27 | -5.08543 | 1 | 0.799558 |
35,512 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CS(=O)(=O)N1[C@H](C(=O)NC)CNCC1)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N(C)[C@@H](CS(=O)(=O)N1[C@H](C(=O)NC)CNCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CNC(=O)[C@@H]1CNCCN1S(=O)(=O)C[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(N)=O)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CS(=O)(=O)N2CCNCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.714535 | 0.999999 | 0.999997 | 1 | 0.714535 | 27 | -7.96353 | 1 | 0.845301 |
35,513 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(CC)C(=O)N[C@@H]1CCN(C)C1)C(=O)|NCC(=O)|N(C)[C@@H](Cc1c[nH]cn1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(CC)C(=O)N[C@@H]1CCN(C)C1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](Cc1c[nH]cn1)C2(=O) | CCN(C[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)C(=O)N[C@@H]1CCN(C)C1 | O=C1CNC(=O)C(CNC(=O)NC2CCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.590932 | 0.999999 | 0.973985 | 1 | 0.590932 | 27 | -4.07333 | 1 | 0.765351 |
35,514 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(=O)N1[C@H](CC)CC(=O)NCC1)C)C(=O)|N(C)[C@@H](CCCCN)C(=O)|N[C@@H](Cc1c[nH]cn1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)N1[C@H](CC)CC(=O)NCC1)C)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](Cc1c[nH]cn1)C2(=O) | CC[C@@H]1CC(=O)NCCN1C(=O)N(C)C[C@H]1C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CCN(C(=O)NCC2NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC(=O)CNC2=O)CCN1 | 0.532432 | 0.999999 | 0.935158 | 1 | 0.532432 | 27 | -3.65903 | 1 | 0.721572 |
35,515 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CO)C(=O)|N(C)[C@@H]([C@H](CN1CCN(C)C(=O)C1(C)C)O)C(=O)|N(C)[C@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N(C)[C@@H]([C@H](CN1CCN(C)C(=O)C1(C)C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@H](CC(=O)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](O)CN3CCN(C)C(=O)C3(C)C)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CC(N)=O)N(C)C2=O)C(F)(F)F)CC1 | O=C1CN(CCC2NC(=O)CNC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CCN1 | 0.67193 | 0.999999 | 0.999835 | 1 | 0.67193 | 27 | -6.28273 | 1 | 0.819691 |
35,516 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H]([C@@H](CC)N(C)CCN1CCNCC1)C(=O)|N(C)[C@@H](C[C@@H](N)C(=O)N1CCNC(=O)CC1)C(=O)|N[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H]([C@@H](CC)N(C)CCN1CCNCC1)C(=O)N(C)[C@@H](C[C@@H](N)C(=O)N1CCNC(=O)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CO)C2(=O) | CC[C@H]([C@@H]1C(=O)N(C)[C@@H](C[C@@H](N)C(=O)N2CCNC(=O)CC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)N(C)CCN1CCNCC1 | O=C1CCN(C(=O)CCC2NC(=O)C(CNCCN3CCNCC3)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CCN1 | 0.60546 | 0.999999 | 0.999941 | 1 | 0.60546 | 27 | -6.73233 | 1 | 0.778105 |
35,517 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CN(C(=O)c1c(C)nc(C(F)(F)F)cc1)C)C(=O)|N[C@H](CCC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N(C)[C@@H](CN(C(=O)c1c(C)nc(C(F)(F)F)cc1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@H](CCC(=O)N)C2(=O) | Cc1nc(C(F)(F)F)ccc1C(=O)N(C)C[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(N)=O)C(=O)N1C | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2cccnc2)N1 | 0.584482 | 0.999999 | 0.949124 | 1 | 0.584482 | 27 | -3.77081 | 1 | 0.75789 |
35,518 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C#N)C(=O)N)C(=O)|N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)|N(C)[C@@H](C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C#N)C(=O)N)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](C)C2(=O) | C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@H](C#N)C(N)=O)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.636847 | 0.999999 | 0.999076 | 1 | 0.636847 | 27 | -5.53385 | 1 | 0.797904 |
35,519 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C)NC(=O)c1cn(CCN)nn1)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)c1cn(CCN)nn1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@H](NC(=O)c1cn(CCN)nn1)[C@H]1C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)c2c[nH]nn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.725834 | 0.999999 | 0.999885 | 1 | 0.725834 | 27 | -6.43903 | 1 | 0.851942 |
35,520 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CO)C(=O)|N[C@@H](C)C(=O)|N(C)[C@@H]([C@@H](N(CC)C(=O)N1CCSC[C@@H]1C)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](N(CC)C(=O)N1CCSC[C@@H]1C)C)C2(=O) | CCN(C(=O)N1CCSC[C@@H]1C)[C@@H](C)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCSCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.819982 | 0.999999 | 0.808756 | 1 | 0.819982 | 27 | -3.12623 | 1 | 0.874054 |
35,521 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(C)C)C(=O)N[C@H]1CCN(C)C1)C(=O)|N(C)[C@@H](CO)C(=O)|N(C)[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(C)C)C(=O)N[C@H]1CCN(C)C1)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CO)C2(=O) | CC(C)N(C[C@H]1C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)C(=O)N[C@H]1CCN(C)C1 | O=C1CNC(=O)C(CNC(=O)NC2CCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.773982 | 0.999999 | 0.996507 | 1 | 0.773982 | 27 | -4.95523 | 1 | 0.879249 |
35,522 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CCSC)C(=O)|N[C@@H](CN(C(=O)N1[C@H](CC)C(=O)NCC1)C)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCSC)C(=O)N[C@@H](CN(C(=O)N1[C@H](CC)C(=O)NCC1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CC[C@@H]1C(=O)NCCN1C(=O)N(C)C[C@@H]1NC(=O)[C@H](CCSC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O | O=C1CN(C(=O)NCC2NC(=O)CNC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CCN1 | 0.657573 | 0.999999 | 0.990441 | 1 | 0.657573 | 27 | -4.51543 | 1 | 0.809611 |
35,523 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(CC)C(=O)N1CCOC[C@H](C)C1)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(CC)C(=O)N1CCOC[C@H](C)C1)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@@H](C)O)C2(=O) | CCN(C[C@H]1C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)C(=O)N1CCOC[C@H](C)C1 | O=C1CNC(=O)C(CNC(=O)N2CCCOCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.799474 | 0.999999 | 0.981898 | 1 | 0.799474 | 27 | -4.23433 | 1 | 0.891415 |
35,524 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(=O)N([C@@H](C)C1CC1)C)C(=O)|N(C)[C@@H](C)C(=O)|N(C)[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(=O)N([C@@H](C)C1CC1)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CO)C2(=O) | C[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(=O)N(C)[C@@H](C)C2CC2)C(=O)N1C | O=C1CNC(=O)C(C(=O)NCC2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.720049 | 0.999999 | 0.951729 | 1 | 0.720049 | 27 | -3.79483 | 1 | 0.841588 |
35,525 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](C)O)C(=O)|N[C@@H](CCSC)C(=O)|N(C)[C@@H]([C@@H](NC(=O)C)[C@@H]1CCCOC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](NC(=O)C)[C@@H]1CCCOC1)C2(=O) | CSCC[C@@H]1NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](NC(C)=O)[C@@H]2CCCOC2)N(C)C(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CC2CCCOC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.666969 | 0.999999 | 0.873946 | 1 | 0.666969 | 27 | -3.34093 | 1 | 0.798547 |
35,526 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C)C(=O)|N(C)[C@@H](C(C)(C)N1CCN(CCO)CC1)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C(C)(C)N1CCN(CCO)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C(C)(C)N2CCN(CCO)CC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CN2CCNCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.564866 | 0.999999 | 0.983479 | 1 | 0.564866 | 27 | -4.27473 | 1 | 0.749492 |
35,527 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H](C[C@H](c1ccn(C)c(=O)c1)C#N)C(=O)|N(C)[C@@H](CO)C(=O)|N1[C@@H](CCC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C[C@H](c1ccn(C)c(=O)c1)C#N)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N1[C@@H](CCC1)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)[C@H](C[C@@H](C#N)c3ccn(C)c(=O)c3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(CCc2cc[nH]c(=O)c2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.580239 | 0.999999 | 0.957584 | 1 | 0.580239 | 27 | -3.85365 | 1 | 0.756251 |
35,528 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H](C)C(=O)|N(C)CC(=O)|N[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](C)C(=O)N(C)CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CC(=O)N)C2(=O) | C[C@@H]1C(=O)N(C)CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.518881 | 0.999999 | 0.995843 | 1 | 0.518881 | 27 | -4.87943 | 1 | 0.719834 |
35,529 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H](Cc1c[nH]cn1)C(=O)|N[C@H](CO)C(=O)|N(C)[C@@H](C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](C)C2(=O) | C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(Cc2c[nH]cn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.345891 | 0.999999 | 0.994662 | 1 | 0.345891 | 27 | -4.77033 | 1 | 0.587601 |
35,530 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C)NC(=O)[C@@H]1CCC(=O)NC1)C(=O)|N(C)[C@H](CC(=O)N)C(=O)|N[C@@H](Cc1ccccc1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)[C@@H]1CCC(=O)NC1)C(=O)N(C)[C@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C2(=O) | C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)[C@H]1C(=O)N(C)[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CCC(C(=O)NCC2NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(Cc3ccccc3)NC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC(=O)CNC2=O)CN1 | 0.58507 | 0.999999 | 0.982808 | 1 | 0.58507 | 27 | -4.25713 | 1 | 0.762691 |
35,531 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(N(C)C(=O)N1CCSCC1)(C)C)C(=O)|N(C)[C@@H](Cc1c[nH]cn1)C(=O)|N(C)[C@@H](CCSC)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(N(C)C(=O)N1CCSCC1)(C)C)C(=O)N(C)[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCSC)C2(=O) | CSCC[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)(C)N(C)C(=O)N2CCSCC2)C(=O)N(C)[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNC(=O)N2CCSCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.495773 | 0.999999 | 0.084613 | 1 | 0.495773 | 27 | -1.46583 | 1 | 0.466531 |
35,532 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C)C(=O)[C@@H]1CC[C@H](CN)O1)C(=O)|N(C)[C@@H](Cc1c[nH]cn1)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C)C(=O)[C@@H]1CC[C@H](CN)O1)C(=O)N(C)[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]cn3)N(C)C(=O)[C@H](CN(C)C(=O)[C@@H]3CC[C@H](CN)O3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNC(=O)C2CCCO2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.500837 | 0.999999 | 0.998257 | 1 | 0.500837 | 27 | -5.25803 | 1 | 0.707493 |
35,533 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(N1[C@H](C)C(=O)NC(=O)C1)(C)C)C(=O)|N(C)[C@@H](CS)C(=O)|N(C)[C@@H](CCSC)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(N1[C@H](C)C(=O)NC(=O)C1)(C)C)C(=O)N(C)[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCSC)C2(=O) | CSCC[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)(C)N2CC(=O)NC(=O)[C@H]2C)C(=O)N(C)[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(CN2CC(=O)NC(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.52565 | 0.999999 | 0.850645 | 1 | 0.52565 | 27 | -3.25553 | 1 | 0.705732 |
35,534 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](Nc1nnc(C)n1C)CC)C(=O)|N(C)[C@@H](CO)C(=O)|N(C)[C@@H](CCC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](Nc1nnc(C)n1C)CC)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCC(=O)N)C2(=O) | CC[C@H](Nc1nnc(C)n1C)[C@H]1C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNc2nnc[nH]2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.655235 | 0.999999 | 0.989602 | 1 | 0.655235 | 27 | -4.47851 | 1 | 0.808057 |
35,535 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](C)O)C(=O)|N(C)[C@@H]([C@@H](O)CN(Cc1cccs1)C1CC1)C(=O)|N(C)[C@@H](C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H]([C@@H](O)CN(Cc1cccs1)C1CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](C)C2(=O) | C[C@@H](O)[C@H]1C(=O)N(C)[C@@H]([C@@H](O)CN(Cc2cccs2)C2CC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCN(Cc2cccs2)C2CC2)N1 | 0.707746 | 0.999999 | 0.543769 | 1 | 0.707746 | 27 | -2.57623 | 1 | 0.760048 |
35,536 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(=O)[C@H]1N(CCC)CCCC1)C)C(=O)|N(C)[C@@H](C)C(=O)|N[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)[C@H]1N(CCC)CCCC1)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CC(=O)N)C2(=O) | CCCN1CCCC[C@H]1C(=O)N(C)C[C@H]1C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)C2CCCCN2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.588136 | 0.999999 | 0.950994 | 1 | 0.588136 | 27 | -3.78793 | 1 | 0.760504 |
35,537 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C[C@H](C(=O)N1[C@@H](C(=O)NC)CCC1)N)C(=O)|N1[C@@H](CCC1)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C[C@H](C(=O)N1[C@@H](C(=O)NC)CCC1)N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CNC(=O)[C@H]1CCCN1C(=O)[C@H](N)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)C(CCC(=O)N2CCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.716101 | 0.999999 | 0.99915 | 1 | 0.716101 | 27 | -5.57013 | 1 | 0.846107 |
35,538 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(C)C)C(=O)N1CCC[C@@H]1CN)C(=O)|N[C@@H](CCC(=O)N)C(=O)|N(C)[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(C)C)C(=O)N1CCC[C@@H]1CN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CO)C2(=O) | CC(C)N(C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)C(=O)N1CCC[C@@H]1CN | O=C1CNC(=O)C(CNC(=O)N2CCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.81749 | 0.999999 | 0.995987 | 1 | 0.81749 | 27 | -4.89483 | 1 | 0.903546 |
35,539 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(CN(C)C[C@H]1CCS(=O)(=O)C1)(C)C)C(=O)|N(C)[C@@H]([C@H](CC)NC(=O)C[C@@H]1CNC(=O)C1)C(=O)|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(CN(C)C[C@H]1CCS(=O)(=O)C1)(C)C)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)C[C@@H]1CNC(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CC[C@H](NC(=O)C[C@@H]1CNC(=O)C1)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)(C)CN(C)C[C@H]2CCS(=O)(=O)C2)C(=O)N1C | O=C1CC(CC(=O)NCC2NC(=O)C(CCNCC3CCS(=O)(=O)C3)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CN1 | 0.725721 | 0.999999 | 0.968442 | 1 | 0.725721 | 27 | -3.98696 | 1 | 0.847352 |
35,540 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C1(N(C)C)COCCOC1)C(=O)|N[C@@H](CCCCN)C(=O)|N(C)[C@@H](C(C)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C1(N(C)C)COCCOC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](C(C)C)C2(=O) | CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C2(N(C)C)COCCOC2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(C2COCCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.790359 | 0.999999 | 0.855949 | 1 | 0.790359 | 27 | -3.27393 | 1 | 0.86627 |
35,541 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@H]([C@H](C)O)C(=O)|N[C@@H]([C@@H](N(CC)C(=O)N1CCNC(=O)C1)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N(C)[C@H]([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@@H](N(CC)C(=O)N1CCNC(=O)C1)C)C2(=O) | CCN(C(=O)N1CCNC(=O)C1)[C@@H](C)[C@@H]1NC(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)O)N(C)C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCNC(=O)C2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.723687 | 0.999999 | 0.999591 | 1 | 0.723687 | 27 | -5.88773 | 1 | 0.85064 |
35,542 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(CC)C(=O)[C@@H]1[C@@H](C)C1(F)F)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(CC)C(=O)[C@@H]1[C@@H](C)C1(F)F)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CO)C2(=O) | CCN(C[C@H]1C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)C(=O)[C@@H]1[C@@H](C)C1(F)F | O=C1CNC(=O)C(CNC(=O)C2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.643166 | 0.999999 | 0.994883 | 1 | 0.643166 | 27 | -4.78873 | 1 | 0.801291 |
35,543 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N[C@H](CS)C(=O)|N(C)[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CO)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@@H](CS)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.769267 | 0.999999 | 0.999222 | 1 | 0.769267 | 27 | -5.60863 | 1 | 0.876965 |
35,544 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CO)C(=O)|N(C)[C@@H]([C@H](C1(C)COC1)N(C)C)C(=O)|N[C@@H](CS)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N(C)[C@@H]([C@H](C1(C)COC1)N(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CS)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](N(C)C)C3(C)COC3)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CS)NC2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CC2COC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.619583 | 0.999999 | 0.990483 | 1 | 0.619583 | 27 | -4.51733 | 1 | 0.785883 |
35,545 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(=O)N1[C@@H](C(=O)N)C[C@@H](OC)C1)C(=O)|N(C)[C@@H](CS)C(=O)|N[C@@H]([C@H](CC)n1nnnc1C1(C)CCC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(=O)N1[C@@H](C(=O)N)C[C@@H](OC)C1)C(=O)N(C)[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@H](CC)n1nnnc1C1(C)CCC1)C2(=O) | CC[C@@H]([C@@H]1NC(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N(C)C(=O)[C@H](C(=O)N2C[C@H](OC)C[C@@H]2C(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)n1nnnc1C1(C)CCC1 | O=C1CNC(=O)C(C(=O)N2CCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cn2nnnc2C2CCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.520341 | 0.999999 | 0.984247 | 1 | 0.520341 | 27 | -4.29573 | 1 | 0.71944 |
35,546 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](C[C@H](C)N(C)Cc1cscn1)C(=O)|N[C@@H](CN(C(=O)N1CCN(CC)[C@@H](C1)C)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N(C)[C@@H](C[C@H](C)N(C)Cc1cscn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CN(C(=O)N1CCN(CC)[C@@H](C1)C)C)C2(=O) | CCN1CCN(C(=O)N(C)C[C@@H]2NC(=O)[C@@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](C[C@H](C)N(C)Cc3cscn3)N(C)C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C[C@H]1C | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNCc2cscn2)N1 | 0.59715 | 0.999999 | 0.793954 | 1 | 0.59715 | 27 | -3.08583 | 1 | 0.743602 |
35,547 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)C(=O)|N(C)[C@@H](CO)C(=O)|N[C@@H]([C@H](C)NC(=O)N1CCCN(C)CC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@H](C)NC(=O)N1CCCN(C)CC1)C2(=O) | CC[C@H](NC(=O)N1CCC[C@H]1C(N)=O)[C@H]1C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H]([C@H](C)NC(=O)N2CCCN(C)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)N2CCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCCNCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.558721 | 0.999999 | 0.998185 | 1 | 0.558721 | 27 | -5.24033 | 1 | 0.74725 |
35,548 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H](CCC(=O)N)C(=O)|N(C)[C@@H]([C@H](CC)NC(=O)C[C@H]1COCCN1)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CCC(=O)N)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)C[C@H]1COCCN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CC[C@H](NC(=O)C[C@H]1COCCN1)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CCC(N)=O)C(=O)N1C | O=C(CC1COCCN1)NCC1NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC1=O | 0.679183 | 0.999999 | 0.997737 | 1 | 0.679183 | 27 | -5.14433 | 1 | 0.823815 |
35,549 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CC[C@@]1(O)CCCOCC1)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N[C@@H](CC(C)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC[C@@]1(O)CCCOCC1)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C2(=O) | CC(C)C[C@@H]1NC(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](CC[C@@]2(O)CCCOCC2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)C(CCC2CCCOCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.546632 | 0.999999 | 0.369232 | 1 | 0.546632 | 27 | -2.26743 | 1 | 0.626225 |
35,550 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(=O)[C@H]1[C@@H](C)OCC1)C(C)C)C(=O)|N(C)[C@@H](C(C)C)C(=O)|N(C)[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)[C@H]1[C@@H](C)OCC1)C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CO)C2(=O) | CC(C)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CN(C(=O)[C@@H]2CCO[C@@H]2C)C(C)C)C(=O)N1C | O=C1CNC(=O)C(CNC(=O)C2CCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.844387 | 0.999999 | 0.641988 | 1 | 0.844387 | 27 | -2.75363 | 1 | 0.853477 |
35,551 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N[C@@H](CS)C(=O)|N(C)[C@@H](CN(C(C)C)C(=O)N[C@H]1CCOC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CN(C(C)C)C(=O)N[C@H]1CCOC1)C2(=O) | CC(C)N(C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C)C(=O)N[C@H]1CCOC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)NC2CCOC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.71806 | 0.999999 | 0.98734 | 1 | 0.71806 | 27 | -4.39203 | 1 | 0.845587 |
35,552 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](NC(=O)c1c(C)nns1)C(C)C)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](NC(=O)c1c(C)nns1)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | Cc1nnsc1C(=O)N[C@H](C(C)C)[C@H]1C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)c2cnns2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.697576 | 0.999999 | 0.952829 | 1 | 0.697576 | 27 | -3.80534 | 1 | 0.828511 |
35,553 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H]([C@@H](N(CC)C(=O)[C@@]1(CC)CCNC1)C)C(=O)|N(C)[C@@H](Cc1c[nH]cn1)C(=O)|N(C)[C@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H]([C@@H](N(CC)C(=O)[C@@]1(CC)CCNC1)C)C(=O)N(C)[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@H](CC(=O)N)C2(=O) | CCN(C(=O)[C@@]1(CC)CCNC1)[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)N(C)C1=O | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNC(=O)C2CCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.505939 | 0.999999 | 0.964826 | 1 | 0.505939 | 27 | -3.93823 | 1 | 0.707062 |
35,554 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H](Cc1c[nH]cn1)C(=O)|N(C)[C@@H](CCC(=O)N)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](Cc3c[nH]cn3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(Cc2c[nH]cn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.519721 | 0.999999 | 0.996523 | 1 | 0.519721 | 27 | -4.95723 | 1 | 0.720498 |
35,555 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CS)C(=O)|N(C)[C@@H]([C@@H](N(CC)C(=O)N[C@]1(C)CCOC1)C)C(=O)|N(C)[C@@H](CCC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CS)C(=O)N(C)[C@@H]([C@@H](N(CC)C(=O)N[C@]1(C)CCOC1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCC(=O)N)C2(=O) | CCN(C(=O)N[C@]1(C)CCOC1)[C@@H](C)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CS)C(=O)N1C | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)NC2CCOC2)N1 | 0.733047 | 0.999999 | 0.854723 | 1 | 0.733047 | 27 | -3.26963 | 1 | 0.834072 |
35,556 | evolving | 502 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](C)O)C(=O)|N(C)[C@@H](Cc1[nH]nc(S)[n+]1C[C@H]1CCCO1)C(=O)|N(C)[C@@H](CC(C)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc1[nH]nc(S)[n+]1C[C@H]1CCCO1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(C)C)C2(=O) | CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc2[nH]nc(S)[n+]2C[C@H]2CCCO2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2[nH]nc[n+]2CC2CCCO2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.791382 | 0.999999 | 0.72271 | 1 | 0.791382 | 27 | -2.91603 | 1 | 0.842727 |
35,557 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CS)C2(=O) | N(C)[C@@H](C(=O)N1CCN(CCN(C)C)CC1)C(=O)|N(C)[C@H]([C@@H](CC)NC(=O)C1(CN)CCOCC1)C(=O)|N(C)[C@@H]([C@H](CC)NC(=O)C1(CN)CCC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(=O)N1CCN(CCN(C)C)CC1)C(=O)N(C)[C@H]([C@@H](CC)NC(=O)C1(CN)CCOCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)C1(CN)CCC1)C(=O)N[C@@H](CS)C2(=O) | CC[C@H](NC(=O)C1(CN)CCC1)[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(=O)N2CCN(CCN(C)C)CC2)C(=O)N(C)[C@H]([C@@H](CC)NC(=O)C2(CN)CCOCC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCOCC2)NC(=O)C(C(=O)N2CCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCC2)N1 | 0.454046 | 0.999999 | 0.992843 | 1 | 0.454046 | 27 | -4.64213 | 1 | 0.673023 |
35,558 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CS)C2(=O) | N(C)[C@H](CCCCN)C(=O)|N(C)[C@H](CN(C)C(=O)Nc1nnnn1C)C(=O)|N[C@@H]([C@@H](C)O)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CCCCN)C(=O)N(C)[C@H](CN(C)C(=O)Nc1nnnn1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C2(=O) | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](CN(C)C(=O)Nc2nnnn2C)N(C)C(=O)[C@@H](CCCCN)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)Nc2nnn[nH]2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.442598 | 0.999999 | 0.997852 | 1 | 0.442598 | 27 | -5.16703 | 1 | 0.665042 |
35,559 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CS)C2(=O) | N(C)[C@@H](CCN(C)[C@@H]1CCCCC1)C(=O)|N(C)[C@H]([C@](C)(C)N)C(=O)|N[C@@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCN(C)[C@@H]1CCCCC1)C(=O)N(C)[C@H]([C@](C)(C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C2(=O) | CN(CC[C@H]1C(=O)N(C)[C@H](C(C)(C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)C1CCCCC1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CCNC2CCCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.523003 | 0.999999 | 0.618073 | 1 | 0.523003 | 27 | -2.70906 | 1 | 0.66746 |
35,560 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CS)C2(=O) | N(C)[C@@H](CO)C(=O)|N(C)[C@@H]([C@@H](C)CC(=O)N[C@@H]1CCCNC1)C(=O)|N[C@@H]([C@H](CC)NC(=O)C1(CN)CCOCC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N(C)[C@@H]([C@@H](C)CC(=O)N[C@@H]1CCCNC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@H](CC)NC(=O)C1(CN)CCOCC1)C(=O)N[C@@H](CS)C2(=O) | CC[C@H](NC(=O)C1(CN)CCOCC1)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC(=O)N[C@@H]2CCCNC2)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC1=O | O=C(CCC1NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCOCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC1=O)NC1CCCNC1 | 0.3852 | 0.999999 | 0.995315 | 1 | 0.3852 | 27 | -4.82723 | 1 | 0.620159 |
35,561 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CS)C2(=O) | N(C)[C@H](C[C@H](N)C(=O)Nn1cccc1)C(=O)|N[C@@H](CO)C(=O)|N[C@@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](C[C@H](N)C(=O)Nn1cccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C2(=O) | CN1C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]1C[C@H](N)C(=O)Nn1cccc1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CCC(=O)Nn2cccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.385024 | 0.999999 | 0.999782 | 1 | 0.385024 | 27 | -6.16166 | 1 | 0.620481 |
35,562 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CS)C2(=O) | N(C)[C@@H]([C@H](C(C)C)NC(=O)C[C@@H]1CNCCN1)C(=O)|N[C@@H](CC(=O)N)C(=O)|N[C@@H](CO)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C(C)C)NC(=O)C[C@@H]1CNCCN1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C2(=O) | CC(C)[C@H](NC(=O)C[C@@H]1CNCCN1)[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)CC2CNCCN2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.434566 | 0.999999 | 0.999943 | 1 | 0.434566 | 27 | -6.74643 | 1 | 0.65921 |
35,563 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CS)C2(=O) | N(C)[C@@H](CO)C(=O)|N[C@@H](CC[C@H]1CCN(CC)C(=O)C1)C(=O)|N(C)[C@H](CC(C)C)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CC[C@H]1CCN(CC)C(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](CS)C2(=O) | CCN1CC[C@H](CC[C@@H]2NC(=O)[C@H](CO)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CS)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC2=O)CC1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCC2CCNC(=O)C2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.36247 | 0.999999 | 0.379858 | 1 | 0.36247 | 27 | -2.28713 | 1 | 0.512357 |
35,564 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CS)C2(=O) | N(C)[C@@H](C(C)(C)NS(=O)(=O)c1cnns1)C(=O)|N[C@H](CCCN)C(=O)|N(C)[C@@H](CCSC)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)c1cnns1)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCSC)C(=O)N[C@@H](CS)C2(=O) | CSCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)c2cnns2)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNS(=O)(=O)c2cnns2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.289932 | 0.999999 | 0.853 | 1 | 0.289932 | 27 | -3.26363 | 1 | 0.524372 |
35,565 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H]([C@@H](C)O)C2(=O) | N[C@H]([C@]1(C)CC(=NO1)C1CCCCC1)C(=O)|N[C@@H](CCC(=O)N)C(=O)|N(C)[C@@H](CC(=O)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@H]([C@]1(C)CC(=NO1)C1CCCCC1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H]([C@]2(C)CC(C3CCCCC3)=NO2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(C2CC(C3CCCCC3)=NO2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.209703 | 0.999999 | 0.934878 | 1 | 0.209703 | 27 | -3.65703 | 1 | 0.452822 |
35,566 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H]([C@@H](C)O)C2(=O) | N(C)[C@H](CCN(c1nnc(C)n1C)C)C(=O)|N(C)[C@@H](CN(C(=O)c1cn(CC)nc1C1CC1)C)C(=O)|N[C@H](Cc1c[nH]cn1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CCN(c1nnc(C)n1C)C)C(=O)N(C)[C@@H](CN(C(=O)c1cn(CC)nc1C1CC1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CCn1cc(C(=O)N(C)C[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc3c[nH]cn3)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)[C@H](CCN(C)c3nnc(C)n3C)C(=O)N2C)c(C2CC2)n1 | O=C1CNC(=O)C(CNC(=O)c2c[nH]nc2C2CC2)NC(=O)C(CCNc2nnc[nH]2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)CNC(=O)C(Cc2ccccc2)N1 | 0.348227 | 0.999999 | 0.65364 | 1 | 0.348227 | 27 | -2.77581 | 1 | 0.549736 |
35,567 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H]([C@@H](C)O)C2(=O) | N(C)[C@H](CO)C(=O)|N[C@@H](C[C@H](C)N1CCN(C(C)(C)C)CC1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CO)C(=O)N[C@@H](C[C@H](C)N1CCN(C(C)(C)C)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CO)C(=O)N[C@@H](C[C@H](C)N2CCN(C(C)(C)C)CC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCN2CCNCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.248053 | 0.999999 | 0.989227 | 1 | 0.248053 | 27 | -4.46296 | 1 | 0.497151 |
35,568 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H]([C@@H](C)O)C2(=O) | N(C)[C@@H](C(C)C)C(=O)|N[C@@H](CS)C(=O)|N[C@H](CC(=O)N1CCCN(CC)CC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)N1CCCN(CC)CC1)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CCN1CCCN(C(=O)C[C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]([C@@H](C)O)N(C)C2=O)CC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CC(=O)N2CCCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.467808 | 0.999999 | 0.884268 | 1 | 0.467808 | 27 | -3.38313 | 1 | 0.670087 |
35,569 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H]([C@@H](C)O)C2(=O) | N(C)[C@@H](CN(C)C(=O)c1n[nH]c(C(C)(C)C)n1)C(=O)|N[C@H](CCCNC(=N)N)C(=O)|N[C@@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C)C(=O)c1n[nH]c(C(C)(C)C)n1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CN(C)C(=O)c2n[nH]c(C(C)(C)C)n2)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)c2nc[nH]n2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.450083 | 0.999999 | 0.998004 | 1 | 0.450083 | 27 | -5.19889 | 1 | 0.670659 |
35,570 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H]([C@@H](C)O)C2(=O) | N[C@@H](CNC(=O)N1CCNC(=O)C1(C)C)C(=O)|N(C)[C@@H](CC[C@H]1N(C)CCC1)C(=O)|N[C@H](C(C)C)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CNC(=O)N1CCNC(=O)C1(C)C)C(=O)N(C)[C@@H](CC[C@H]1N(C)CCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CC(C)[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC[C@@H]2CCCN2C)N(C)C(=O)[C@H](CNC(=O)N2CCNC(=O)C2(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)N(C)C1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCC2CCCN2)NC(=O)C(CNC(=O)N2CCNC(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.375148 | 0.999999 | 0.901766 | 1 | 0.375148 | 27 | -3.46283 | 1 | 0.602028 |
35,571 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H]([C@@H](C)O)C2(=O) | N(C)[C@@H](c1n(C(C)C)nnn1)C(=O)|N[C@@H](CN(C)C(=O)[C@]1(C(F)(F)F)CCNC1)C(=O)|N[C@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](c1n(C(C)C)nnn1)C(=O)N[C@@H](CN(C)C(=O)[C@]1(C(F)(F)F)CCNC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CC(C)n1nnnc1[C@H]1C(=O)N[C@@H](CN(C)C(=O)[C@]2(C(F)(F)F)CCNC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCNC2)NC(=O)C(c2nnn[nH]2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.633794 | 0.999999 | 0.993864 | 1 | 0.633794 | 27 | -4.70946 | 1 | 0.795295 |
35,572 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H]([C@@H](C)O)C2(=O) | N(C)[C@@H](CC(=O)N)C(=O)|N[C@@H]([C@](C)(O)C[C@@H]1CCCC1(F)F)C(=O)|NCC(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H]([C@](C)(O)C[C@@H]1CCCC1(F)F)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H]([C@](C)(O)C[C@@H]2CCCC2(F)F)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCC2CCCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.426002 | 0.999999 | 0.95531 | 1 | 0.426002 | 27 | -3.82993 | 1 | 0.647734 |
35,573 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CC(C)C)C2(=O) | N(C)[C@@H](CCn1nnn(CC)c1=O)C(=O)|N[C@H](CCSC)C(=O)|N[C@@H](CC(=O)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCn1nnn(CC)c1=O)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N(C)[C@@H](CC(C)C)C2(=O) | CCn1nnn(CC[C@H]2C(=O)N[C@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)c1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CCn2nn[nH]c2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.489976 | 0.999999 | 0.947455 | 1 | 0.489976 | 27 | -3.75603 | 1 | 0.693714 |
35,574 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CC(C)C)C2(=O) | N(C)[C@H](c1nnn[nH]1)C(=O)|N[C@@H](CS)C(=O)|N[C@@H](CCSC)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](c1nnn[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N(C)[C@@H](CC(C)C)C2(=O) | CSCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](c2nnn[nH]2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)N(C)C1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(c2nnn[nH]2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.471742 | 0.999999 | 0.601733 | 1 | 0.471742 | 27 | -2.67923 | 1 | 0.631083 |
35,575 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CC(C)C)C2(=O) | N(C)[C@@H](CC(=O)N)C(=O)|N1[C@H](CCC1)C(=O)|N[C@@H]([C@H](CC)NC(=O)C1(CN)CCOCC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N1[C@H](CCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@H](CC)NC(=O)C1(CN)CCOCC1)C(=O)N(C)[C@@H](CC(C)C)C2(=O) | CC[C@H](NC(=O)C1(CN)CCOCC1)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)N(C)C1=O | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCOCC2)N1 | 0.581607 | 0.999999 | 0.838718 | 1 | 0.581607 | 27 | -3.21603 | 1 | 0.740601 |
35,576 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CC(C)C)C2(=O) | N(C)[C@@H](CCCNC(=N)N)C(=O)|N[C@H](C(C)(C)NC(=O)CN1CCNCC1)C(=O)|N1[C@@H](CCC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(C)(C)NC(=O)CN1CCNCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(C)C)C2(=O) | CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(C)(C)NC(=O)CN2CCNCC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1C | O=C(CN1CCNCC1)NCC1NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC1=O | 0.612284 | 0.999999 | 0.937819 | 1 | 0.612284 | 27 | -3.67846 | 1 | 0.774158 |
35,577 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CC(C)C)C2(=O) | N[C@@H](C(C)(C)NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)|N[C@H](Cc1c[nH]cn1)C(=O)|N(C)[C@@H](CC(C)C)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(C)(C)NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C2(=O) | CC(C)C[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)(C)NC(=O)[C@H]2CCS(=O)(=O)C2)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNC(=O)C2CCS(=O)(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.300381 | 0.999999 | 0.203183 | 1 | 0.300381 | 27 | -1.90653 | 1 | 0.420227 |
35,578 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CC(C)C)C2(=O) | N(C)[C@@H](c1nnnn1CCc1ccccc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H](CC(=O)N1CCCN(CC)CC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](c1nnnn1CCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)N1CCCN(CC)CC1)C(=O)N(C)[C@@H](CC(C)C)C2(=O) | CCN1CCCN(C(=O)C[C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](c3nnnn3CCc3ccccc3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)N(C)C2=O)CC1 | O=C1CNC(=O)C(c2nnnn2CCc2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CC(=O)N2CCCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.482753 | 0.999999 | 0.464634 | 1 | 0.482753 | 27 | -2.43846 | 1 | 0.611478 |
35,579 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@@H](CC1(CN(C)C(C)(C)C)CCC1)C(=O)|N(C)[C@@H]([C@H](CC)NC(=O)c1nnn[nH]1)C(=O)|NCC(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC1(CN(C)C(C)(C)C)CCC1)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)c1nnn[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N(C)[C@@H](CO)C2(=O) | CC[C@H](NC(=O)c1nnn[nH]1)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC2(CN(C)C(C)(C)C)CCC2)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2nnn[nH]2)NC(=O)C(CC2CCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.670414 | 0.999999 | 0.867414 | 1 | 0.670414 | 27 | -3.31573 | 1 | 0.799606 |
35,580 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@@H](C)C(=O)|N[C@H]([C@@H](C)NC(=O)C[C@@H]1CCNC1)C(=O)|N1[C@@H](CCC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C)C(=O)N[C@H]([C@@H](C)NC(=O)C[C@@H]1CCNC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C2(=O) | C[C@@H](NC(=O)C[C@@H]1CCNC1)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O | O=C(CC1CCNC1)NCC1NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC1=O | 0.268841 | 0.999999 | 0.983351 | 1 | 0.268841 | 27 | -4.27133 | 1 | 0.51705 |
35,581 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N[C@H]([C@H](C)O)C(=O)|N(C)[C@@H]([C@]1(NC(=O)C)CCOC1)C(=O)|N[C@@H](CO)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@H]([C@H](C)O)C(=O)N(C)[C@@H]([C@]1(NC(=O)C)CCOC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](CO)C2(=O) | CC(=O)N[C@@]1([C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N[C@H]([C@H](C)O)C(=O)N2C)CCOC1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C2CCOC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.245227 | 0.999999 | 0.999926 | 1 | 0.245227 | 27 | -6.63343 | 1 | 0.495198 |
35,582 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@@H](Cc1n(CCC)c(nn1)C(F)(F)C1CC1)C(=O)|N(C)[C@@H](C)C(=O)|N1[C@@H](CCC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](Cc1n(CCC)c(nn1)C(F)(F)C1CC1)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C2(=O) | CCCn1c(C[C@H]2C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)nnc1C(F)(F)C1CC1 | O=C1CNC(=O)C(Cc2nnc(CC3CC3)[nH]2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.655761 | 0.999999 | 0.133425 | 1 | 0.655761 | 27 | -1.68743 | 1 | 0.578867 |
35,583 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N[C@H]([C@@H](F)c1nnn[nH]1)C(=O)|N[C@@H]([C@@H](C)O)C(=O)|N(C)[C@@H](c1nnn(CCCCC)c1C)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@H]([C@@H](F)c1nnn[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](c1nnn(CCCCC)c1C)C(=O)N(C)[C@@H](CO)C2(=O) | CCCCCn1nnc([C@H]2C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N[C@H]([C@@H](F)c3nnn[nH]3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2C)c1C | O=C1CNC(=O)C(Cc2nnn[nH]2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(c2c[nH]nn2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.358136 | 0.999999 | 0.981893 | 1 | 0.358136 | 27 | -4.23421 | 1 | 0.596625 |
35,584 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@@H]([C@H](C)NC(=O)Cn1cncn1)C(=O)|N[C@@H](C(C)C)C(=O)|NCC(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)Cn1cncn1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N(C)[C@@H](CO)C2(=O) | CC(C)[C@@H]1NC(=O)[C@H]([C@H](C)NC(=O)Cn2cncn2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)N(C)C(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)Cn2cncn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.444795 | 0.999999 | 0.998089 | 1 | 0.444795 | 27 | -5.21793 | 1 | 0.666717 |
35,585 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@H](CN(CC1CC1)C(=O)C1CCC(F)(F)CC1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@@H](C)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CN(CC1CC1)C(=O)C1CCC(F)(F)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CO)C2(=O) | C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CN(CC2CC2)C(=O)C2CCC(F)(F)CC2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)N(C)C1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CN(CC2CC2)C(=O)C2CCCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.550143 | 0.999999 | 0.740089 | 1 | 0.550143 | 27 | -2.95446 | 1 | 0.705427 |
35,586 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@@H](CN(C)c1nnc(C(F)(F)F)s1)C(=O)|N[C@H](CCNCc1nnn[nH]1)C(=O)|N[C@@H](CC(=O)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C)c1nnc(C(F)(F)F)s1)C(=O)N[C@H](CCNCc1nnn[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N(C)[C@@H](CO)C2(=O) | CN(C[C@H]1C(=O)N[C@H](CCNCc2nnn[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)c1nnc(C(F)(F)F)s1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNCc2nnn[nH]2)NC(=O)C(CNc2nncs2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.62943 | 0.999999 | 0.999407 | 1 | 0.62943 | 27 | -5.72663 | 1 | 0.793288 |
35,587 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CCCCN)C2(=O) | N(C)CC(=O)|N(C)[C@@H](CO)C(=O)|N[C@H](CO)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)CC(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCCN)C2(=O) | CN1CC(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C1=O | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.518349 | 0.999999 | 0.999108 | 1 | 0.518349 | 27 | -5.54903 | 1 | 0.719857 |
35,588 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CCCCN)C2(=O) | N(C)[C@@H](CNC(=O)c1nn(CCC)c(=O)cc1)C(=O)|N(C)[C@H](CCCNC(=N)N)C(=O)|N[C@@H](CO)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CNC(=O)c1nn(CCC)c(=O)cc1)C(=O)N(C)[C@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C2(=O) | CCCn1nc(C(=O)NC[C@H]2C(=O)N(C)[C@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)ccc1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)c2ccc(=O)[nH]n2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.431512 | 0.999999 | 0.99903 | 1 | 0.431512 | 27 | -5.51276 | 1 | 0.656789 |
35,589 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CCCCN)C2(=O) | N(C)[C@@H](C)C(=O)|N(C)[C@@H]([C@@H](NC(=O)CN1CCCC1)C1CC1)C(=O)|N[C@H](CC(=O)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H]([C@@H](NC(=O)CN1CCCC1)C1CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C2(=O) | C[C@H]1C(=O)N(C)[C@@H]([C@@H](NC(=O)CN2CCCC2)C2CC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C(NC(=O)CN2CCCC2)C2CC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.373486 | 0.999999 | 0.983643 | 1 | 0.373486 | 27 | -4.27913 | 1 | 0.609458 |
35,590 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CCCCN)C2(=O) | N(C)[C@@H](CS[C@@H]1CCCNC1=O)C(=O)|N[C@H]([C@H](C)O)C(=O)|N(C)[C@@H](CC(C)C)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CS[C@@H]1CCCNC1=O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C2(=O) | CC(C)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CS[C@@H]2CCCNC2=O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CSC2CCCNC2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.470162 | 0.999999 | 0.627415 | 1 | 0.470162 | 27 | -2.72633 | 1 | 0.634429 |
35,591 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CCCCN)C2(=O) | N[C@@H](CC(C)C)C(=O)|N(C)[C@H](CN(C)C(=O)c1nnn[nH]1)C(=O)|N(C)[C@@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CN(C)C(=O)c1nnn[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C2(=O) | CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](CN(C)C(=O)c2nnn[nH]2)N(C)C1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2nnn[nH]2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.420722 | 0.999999 | 0.991567 | 1 | 0.420722 | 27 | -4.57036 | 1 | 0.647716 |
35,592 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H](CCCCN)C2(=O) | N(C)[C@@H](CS)C(=O)|N(C)[C@@H](CCNCC1CC(F)(F)C1)C(=O)|N[C@H](C(F)(F)CN1CCC(=O)CC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CS)C(=O)N(C)[C@@H](CCNCC1CC(F)(F)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(F)(F)CN1CCC(=O)CC1)C(=O)N[C@@H](CCCCN)C2(=O) | CN1C(=O)[C@H](CS)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C(F)(F)CN2CCC(=O)CC2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCNCC1CC(F)(F)C1 | O=C1CCN(CCC2NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CCNCC3CCC3)NC(=O)CNC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CC1 | 0.499315 | 0.999999 | 0.204491 | 1 | 0.499315 | 27 | -1.91003 | 1 | 0.542375 |
35,593 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N1[C@@H](CCC1)C2(=O) | N(C)[C@H](CC(=O)N)C(=O)|N(C)[C@@H](C[C@]1(CCN(CC)C1)O)C(=O)|N[C@@H](CC(=O)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CC(=O)N)C(=O)N(C)[C@@H](C[C@]1(CCN(CC)C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1[C@@H](CCC1)C2(=O) | CCN1CC[C@](O)(C[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)[C@H](CC(N)=O)C(=O)N2C)C1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CC2CCNC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)CN1 | 0.330152 | 0.999999 | 0.997963 | 1 | 0.330152 | 27 | -5.19023 | 1 | 0.574394 |
35,594 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N1[C@@H](CCC1)C2(=O) | N(C)[C@@H](CCCNC(=N)N)C(=O)|N[C@@H](CS)C(=O)|N(C)[C@H](Cc1nnn(C)n1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@H](Cc1nnn(C)n1)C(=O)N1[C@@H](CCC1)C2(=O) | CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]1Cc1nnn(C)n1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2nn[nH]n2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.344904 | 0.999999 | 0.995329 | 1 | 0.344904 | 27 | -4.82856 | 1 | 0.586827 |
35,595 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N1[C@@H](CCC1)C2(=O) | N(C)[C@@H](CN(C)C(=O)N1CCNC(=O)C1(C)C)C(=O)|N[C@H]([C@H](C)O)C(=O)|N(C)[C@@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C)C(=O)N1CCNC(=O)C1(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N1[C@@H](CCC1)C2(=O) | C[C@H](O)[C@H]1NC(=O)[C@H](CN(C)C(=O)N2CCNC(=O)C2(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)N2CCNC(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)CN1 | 0.249193 | 0.999999 | 0.995863 | 1 | 0.249193 | 27 | -4.88156 | 1 | 0.498848 |
35,596 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N1[C@@H](CCC1)C2(=O) | N(C)[C@@H](C(C)(C)NC(=O)[C@@H]1CCCNC1)C(=O)|N[C@H](CS)C(=O)|N[C@@H]([C@@H](C)O)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(C)(C)NC(=O)[C@@H]1CCCNC1)C(=O)N[C@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1[C@@H](CCC1)C2(=O) | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](CS)NC(=O)[C@H](C(C)(C)NC(=O)[C@@H]2CCCNC2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)C2CCCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)CN1 | 0.233833 | 0.999999 | 0.96378 | 1 | 0.233833 | 27 | -3.92503 | 1 | 0.480599 |
35,597 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N1[C@@H](CCC1)C2(=O) | N(C)CC(=O)|N[C@H](CNC(=O)C1CCN(C(=O)C)CC1)C(=O)|N(C)[C@@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)CC(=O)N[C@H](CNC(=O)C1CCN(C(=O)C)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N1[C@@H](CCC1)C2(=O) | CC(=O)N1CCC(C(=O)NC[C@H]2NC(=O)CN(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC2=O)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCNCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)CN1 | 0.224172 | 0.999999 | 0.990507 | 1 | 0.224172 | 27 | -4.51846 | 1 | 0.472716 |
35,598 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N1[C@@H](CCC1)C2(=O) | N(C)[C@@H](c1n(C)nnn1)C(=O)|N(C)[C@@H](CS)C(=O)|N[C@H](CCN(Cc1nn(CC)c(=O)[nH]1)C)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](c1n(C)nnn1)C(=O)N(C)[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCN(Cc1nn(CC)c(=O)[nH]1)C)C(=O)N1[C@@H](CCC1)C2(=O) | CCn1nc(CN(C)CC[C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N(C)C(=O)[C@H](c3nnnn3C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C2=O)[nH]c1=O | O=C1CNC(=O)C(c2nnn[nH]2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(CCNCc2n[nH]c(=O)[nH]2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.319492 | 0.999999 | 0.990859 | 1 | 0.319492 | 27 | -4.53503 | 1 | 0.564372 |
35,599 | evolving | 503 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N[C@@H]([C@H](CC)N(C)C1CCOCC1)C2(=O) | N(C)[C@@H](CCC(=O)N)C(=O)|N[C@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CC(=O)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCC(=O)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@H](CC)N(C)C1CCOCC1)C2(=O) | CC[C@@H]([C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)N(C)C1CCOCC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC2CCOCC2)NC(=O)CN1 | 0.539817 | 0.999999 | 0.934962 | 1 | 0.539817 | 27 | -3.65763 | 1 | 0.726533 |
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