smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[N+]2(CCl)CCC1CC2 ZINC000028009470 717115320 /nfs/dbraw/zinc/11/53/20/717115320.db2.gz FOJNFWQVURRVJH-NWHPKSERSA-O 1 0 359.277 2.466 1 50 FEGFRO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[N+]2(CCl)CCC1CC2 ZINC000028009475 717115051 /nfs/dbraw/zinc/11/50/51/717115051.db2.gz FOJNFWQVURRVJH-FSXGLBCTSA-O 1 0 359.277 2.466 1 50 FEGFRO