smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1[C@@H](Cc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1 ZINC000043300546 562647438 /nfs/dbraw/zinc/64/74/38/562647438.db2.gz ZKQIMZLNOXBJLE-HSZRJFAPSA-N 2 1 536.633 3.804 40 70 KHIBMP COc1cccc([C@H](Cc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1 ZINC000043300598 562647424 /nfs/dbraw/zinc/64/74/24/562647424.db2.gz XATBCJYYWCCTQR-QHCPKHFHSA-N 2 1 552.632 3.504 40 70 KHIBMP COc1ccccc1[C@H](Cc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1 ZINC000043307382 562647524 /nfs/dbraw/zinc/64/75/24/562647524.db2.gz NEROVILGNUVAAL-QFIPXVFZSA-N 2 1 552.632 3.504 40 70 KHIBMP Cc1ccc([C@@H](Cc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1 ZINC000043307551 562647591 /nfs/dbraw/zinc/64/75/91/562647591.db2.gz LZDBUFATYNEMLR-HSZRJFAPSA-N 2 1 536.633 3.804 40 70 KHIBMP