smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc([O-])cc4)oc3c21 ZINC000217649875 568901530 /nfs/dbraw/zinc/90/15/30/568901530.db2.gz ZTPUNKYCEWNKSN-CYBMUJFWSA-N -2 3 404.378 3.046 50 70 biogenic HGIAHL Cn1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cn1 ZINC000217871370 568916940 /nfs/dbraw/zinc/91/69/40/568916940.db2.gz VLQPPEJFZRJGAU-AWEZNQCLSA-N -2 3 404.378 3.046 50 70 biogenic HGIAHL Cn1nccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc([O-])cc4)oc3c21 ZINC000217649786 568901692 /nfs/dbraw/zinc/90/16/92/568901692.db2.gz ZTPUNKYCEWNKSN-ZDUSSCGKSA-N -2 3 404.378 3.046 50 70 biogenic HGIAHL Cn1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cn1 ZINC000217871430 568916806 /nfs/dbraw/zinc/91/68/06/568916806.db2.gz VLQPPEJFZRJGAU-CQSZACIVSA-N -2 3 404.378 3.046 50 70 biogenic HGIAHL