smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)S(=O)(=O)c1c2c(c([O-])c(O)c1[O-])C(=O)N(Cc1ccc(F)c(Cl)c1)C2 ZINC000095562273 563182580 /nfs/dbraw/zinc/18/25/80/563182580.db2.gz ZDODFLVJNKPLLD-UHFFFAOYSA-N -2 3 430.841 2.002 1 10 IECFHL CC(=O)N1CCC[C@H]1C(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1 ZINC000043018194 563116992 /nfs/dbraw/zinc/11/69/92/563116992.db2.gz ZXTZQBYIRDTCMF-ZDUSSCGKSA-N -2 3 441.392 2.199 1 10 IECFHL