smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1 ZINC000100927417 431983302 /nfs/dbraw/zinc/98/33/02/431983302.db2.gz XJUFJVQNPISTMC-WJDWOHSUSA-N -2 0 321.336 3.103 40 10 DGCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1C(=O)[O-] ZINC000008573477 431401289 /nfs/dbraw/zinc/40/12/89/431401289.db2.gz ZRGRODYQPGDTGT-PTNGSMBKSA-N -2 0 321.336 3.103 40 10 DGCBRL