smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@H]2CN(c4ccccc4)CCN32)C1=O ZINC000100962627 554542826 /nfs/dbraw/zinc/54/28/26/554542826.db2.gz NWFTXQGLTACDOM-ITICKHJUSA-N -2 0 543.540 0.294 50 10 KCCARL CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2CN(c4ccccc4)CCN32)C1=O ZINC000100962632 554542731 /nfs/dbraw/zinc/54/27/31/554542731.db2.gz NWFTXQGLTACDOM-ZPBCLNFZSA-N -2 0 543.540 0.294 50 10 KCCARL