smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccc(C(=O)C=C(O)c2ccc(C(=O)[O-])cc2)c(O)c1 ZINC000100982956 219112979 /nfs/dbraw/zinc/11/29/79/219112979.db2.gz IFFIXCNNBHBZHC-WQRHYEAKSA-N -1 2 340.375 4.170 1 30 EIEFLM CC(C)(C)c1ccc(O)c(C(=O)C=C(O)c2ccc(C(=O)[O-])cc2)c1 ZINC000102256253 219191871 /nfs/dbraw/zinc/19/18/71/219191871.db2.gz YKTBCPCLYMMTTQ-WQRHYEAKSA-N -1 2 340.375 4.170 1 30 EIEFLM O=C1C(=O)C(c2csc3ccccc32)C(=O)C([O-])=C1c1ccccc1 ZINC000037866062 213171415 /nfs/dbraw/zinc/17/14/15/213171415.db2.gz CWUQTEMXMKCOTG-UHFFFAOYSA-N -1 2 348.379 4.292 1 30 EIEFLM