smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)[N-]C1=S ZINC000013282733 556501831 /nfs/dbraw/zinc/50/18/31/556501831.db2.gz ZHASRXLMPUWHLW-HJWRWDBZSA-N -1 1 434.482 -0.774 50 10 IBCAMM O=C([O-])CNC(=O)CNC=C1C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000020463653 527611689 /nfs/dbraw/zinc/61/16/89/527611689.db2.gz VTGWNXPVJVOOKE-BJMVGYQFSA-N -1 1 441.263 -0.129 50 10 IBCAMM