smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000040567405 527624245 /nfs/dbraw/zinc/62/42/45/527624245.db2.gz PDHJTFCMQRRNGE-OBTCNRAFSA-N -2 0 421.427 3.215 10 10 HGCERL O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000040567407 527631789 /nfs/dbraw/zinc/63/17/89/527631789.db2.gz PDHJTFCMQRRNGE-AISSWFOISA-N -2 0 421.427 3.215 10 10 HGCERL