smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000217562967 569880311 /nfs/dbraw/zinc/88/03/11/569880311.db2.gz BMWNCWWOEBAAQB-KJIDJHTKSA-N 2 0 492.664 3.273 40 70 JGIBRP