smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@]4(C3)CC=CCN(C)C4=O)CC2)cc1 ZINC000019704449 569233242 /nfs/dbraw/zinc/23/32/42/569233242.db2.gz OBGJKVWROMGYOP-QHCPKHFHSA-N 1 2 428.533 0.833 40 10 ICCBLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@]4(C3)CC=CCN(C)C4=O)CC2)cc1 ZINC000019704449 569233240 /nfs/dbraw/zinc/23/32/40/569233240.db2.gz OBGJKVWROMGYOP-QHCPKHFHSA-N 1 2 428.533 0.833 40 10 ICCBLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@@]4(C3)CC=CCN(C)C4=O)CC2)cc1 ZINC000019704450 569233349 /nfs/dbraw/zinc/23/33/49/569233349.db2.gz OBGJKVWROMGYOP-HSZRJFAPSA-N 1 2 428.533 0.833 40 10 ICCBLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@@]4(C3)CC=CCN(C)C4=O)CC2)cc1 ZINC000019704450 569233348 /nfs/dbraw/zinc/23/33/48/569233348.db2.gz OBGJKVWROMGYOP-HSZRJFAPSA-N 1 2 428.533 0.833 40 10 ICCBLO O=C1C[C@@H]2CCN3C[C@H]2[C@H](O1)[C@H](O)COc1ccc(N2CCOCC2)cc1C[NH2+]CC3=O ZINC000077351305 569586626 /nfs/dbraw/zinc/58/66/26/569586626.db2.gz IZVGRVVOPUEBCN-LONFEIEESA-N 1 2 445.516 0.146 40 10 ICCBLO