smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C=CC(=NNc2ccccc2)C([O-])=C1 ZINC000012405049 350531716 /nfs/dbraw/zinc/53/17/16/350531716.db2.gz BPTKLSBRRJFNHJ-UHFFFAOYSA-N -1 1 214.224 3.513 10 10 BHCEMM CSC(=S)[N-]Cc1ccc2ccccc2c1 ZINC000013679663 384864578 /nfs/dbraw/zinc/86/45/78/384864578.db2.gz QZIRYJGHKRLVRO-UHFFFAOYSA-N -1 1 247.388 3.577 10 10 BHCEMM