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@@H](CS(=O)(=O)[O-])NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000095346118 569722331 /nfs/dbraw/zinc/72/23/31/569722331.db2.gz CCVNTOQNWORHCE-NAZIUFLLSA-N -2 2 462.234 -0.154 50 10 JBCALL O=C([O-])[C@H](CS(=O)(=O)[O-])NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100923665 569775988 /nfs/dbraw/zinc/77/59/88/569775988.db2.gz CCVNTOQNWORHCE-CYNRKNSPSA-N -2 2 462.234 -0.154 50 10 JBCALL