smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[N-]NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n[nH]1 ZINC000005687194 956872734 /nfs/dbraw/zinc/87/27/34/956872734.db2.gz JDTVYFKBYRGNLP-DTWKUNHWSA-N -2 1 294.311 0.370 50 50 CCGAML O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000000000113 1024376046 /nfs/dbraw/zinc/37/60/46/1024376046.db2.gz QLTVVOATEHFXLT-SECBINFHSA-N -3 1 283.332 0.757 50 50 world CCGAML