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 568901525 /nfs/dbraw/zinc/90/15/25/568901525.db2.gz ZTPUNKYCEWNKSN-CYBMUJFWSA-N 0 2 404.378 3.046 50 70 biogenic HGIALN Cn1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cn1 ZINC000217871370 568916938 /nfs/dbraw/zinc/91/69/38/568916938.db2.gz VLQPPEJFZRJGAU-AWEZNQCLSA-N 0 2 404.378 3.046 50 70 biogenic HGIALN Cn1nccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c21 ZINC000217649786 568901686 /nfs/dbraw/zinc/90/16/86/568901686.db2.gz ZTPUNKYCEWNKSN-ZDUSSCGKSA-N 0 2 404.378 3.046 50 70 biogenic HGIALN COC(=O)c1sccc1S(=O)(=O)Nc1ccsc1-c1nc(C2CC2)no1 ZINC000217286903 568868547 /nfs/dbraw/zinc/86/85/47/568868547.db2.gz JSURXOUKBLKUFW-UHFFFAOYSA-N 0 2 411.486 3.324 50 70 HGIALN CSCC[C@H](NC(=O)c1c[nH]c2ccc(F)cc2c1=O)c1nnc2ccccn21 ZINC000218287991 568477645 /nfs/dbraw/zinc/47/76/45/568477645.db2.gz KJZGVZGJNJNXQK-INIZCTEOSA-N 0 2 411.462 3.346 50 70 HGIALN Cn1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cn1 ZINC000217871430 568916803 /nfs/dbraw/zinc/91/68/03/568916803.db2.gz VLQPPEJFZRJGAU-CQSZACIVSA-N 0 2 404.378 3.046 50 70 biogenic HGIALN