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(C=Cc1c([O-])[nH]c2ncccc2c1=O)C(=O)C=Cc1c(=O)[nH]c2ncccc2c1[O-] ZINC000016430835 556607584 /nfs/dbraw/zinc/60/75/84/556607584.db2.gz SDTJLCPHTHNMLD-KQQUZDAGSA-N -2 1 430.376 1.436 40 30 IDEBML C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C(=O)[N-]C1=S ZINC000408902326 556885196 /nfs/dbraw/zinc/88/51/96/556885196.db2.gz NAJKFSIWAQYZNZ-YRNVUSSQSA-N -2 1 425.260 1.725 40 30 IDEBML