smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c2ccccc2O1 ZINC000159966888 570715028 /nfs/dbraw/zinc/71/50/28/570715028.db2.gz RQXITZRIYCFSRK-FQEVSTJZSA-N 1 2 380.488 3.551 40 70 GHIBLO CC1(C)C[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c2ccccc2O1 ZINC000159967015 570715050 /nfs/dbraw/zinc/71/50/50/570715050.db2.gz RQXITZRIYCFSRK-HXUWFJFHSA-N 1 2 380.488 3.551 40 70 GHIBLO