smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(O)c1ccnc(-c2cccc3cc([C@H]([N-]S(=O)(=O)C4CC4)c4nc(N)ncc4Cl)sc32)c1 ZINC000217126076 562877515 /nfs/dbraw/zinc/87/75/15/562877515.db2.gz IPVRCFZXAYJSOI-NRFANRHFSA-N -1 3 530.075 4.388 1 70 KIIFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCN(C(=O)CN(C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000217400022 562877552 /nfs/dbraw/zinc/87/75/52/562877552.db2.gz UQVVVEQIKFQOQQ-UHFFFAOYSA-N -1 3 523.033 4.072 1 70 KIIFHM