smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000328994376 569423328 /nfs/dbraw/zinc/42/33/28/569423328.db2.gz JCUQVEZGKDMLLG-UHFFFAOYSA-N 2 2 406.490 3.311 40 5 HGBBLP C[NH+](C)CCCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccc2)[nH+]1 ZINC000328999286 568972048 /nfs/dbraw/zinc/97/20/48/568972048.db2.gz JVXVGMQDTVGFEL-UHFFFAOYSA-N 2 2 410.453 3.142 40 5 HGBBLP