smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12CCC[C@H](O1)c1c(cc3c(c1OS(=O)(=O)[O-])C(=O)c1c([O-])cc([O-])cc1C3=O)O2 ZINC000031166492 291336909 /nfs/dbraw/zinc/33/69/09/291336909.db2.gz VTOWVRODCXECEJ-YUNKPMOVSA-N -3 3 448.405 2.405 10 10 biogenic IECEHL CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(I)c1[O-] ZINC000038179156 556612353 /nfs/dbraw/zinc/61/23/53/556612353.db2.gz HAEUAIFJSIBSJI-XBXARRHUSA-N -2 3 432.239 2.492 10 10 IECEHL