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[C@@H](c1ccccc1)c1c([O-])[nH]c(=S)[n-]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000006582085 204184946 /nfs/dbraw/zinc/18/49/46/204184946.db2.gz VMGYCUKCSCUHPE-AWEZNQCLSA-N -2 3 397.412 2.510 1 5 GFBFHL O=C([O-])c1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)c([O-])c1 ZINC000103254203 136191021 /nfs/dbraw/zinc/19/10/21/136191021.db2.gz UQKQMDPBIOJNLZ-UHFFFAOYSA-N -2 3 378.296 2.952 1 5 GFBFHL