smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2cc3c(NCCN4CC[NH2+]CC4)cc[nH+]c3cc2c1 ZINC000022860302 182338057 /nfs/dbraw/zinc/33/80/57/182338057.db2.gz FJPLPCGDJZZCOZ-UHFFFAOYSA-N 2 0 306.413 2.705 40 5 DFBBRP CC[N+](C)(C)CCOc1ccc(OCC[N+](C)(C)CC)cc1 ZINC000001683308 425584842 /nfs/dbraw/zinc/58/48/42/425584842.db2.gz RKYDCIRNULMJAS-UHFFFAOYSA-N 2 0 310.482 2.637 40 5 DFBBRP O=Cc1cccc[n+]1Cc1cccc2cc3cccc[n+]3cc21 ZINC000001713777 500689024 /nfs/dbraw/zinc/68/90/24/500689024.db2.gz KAAADOKNZMIHDL-UHFFFAOYSA-N 2 0 300.361 2.727 40 5 DFBBRP