smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CCCC23CCN(c2ccc([N+](=O)[O-])c(-c4ccccc4)n2)CC3)cs1 ZINC001164702001 719816434 /nfs/dbraw/zinc/81/64/34/719816434.db2.gz QGFFNAYHWSFEIK-UHFFFAOYSA-N 0 1 449.580 5.057 20 5 IKBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)[C@H]2C ZINC001164863239 720968139 /nfs/dbraw/zinc/96/81/39/720968139.db2.gz ZAZDZTOSFZVLFE-INIZCTEOSA-N 0 1 434.975 5.054 20 5 IKBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)[C@@H]2C ZINC001164863241 720966508 /nfs/dbraw/zinc/96/65/08/720966508.db2.gz ZAZDZTOSFZVLFE-MRXNPFEDSA-N 0 1 434.975 5.054 20 5 IKBDMN Cc1nc(CN2CCCC23CCN(c2ccc4ccc5cccnc5c4n2)CC3)cs1 ZINC001164693476 719806174 /nfs/dbraw/zinc/80/61/74/719806174.db2.gz TYKBSIGUGVOJER-UHFFFAOYSA-N 0 1 429.593 5.183 20 5 IKBDMN