smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCCCCOc1c(=O)c2ccccc2oc1-c1ccc(O)c(O)c1 ZINC000027204739 717114818 /nfs/dbraw/zinc/11/48/18/717114818.db2.gz FCZCIQAOZGGUKL-UHFFFAOYSA-O 1 0 412.506 4.517 1 10 HJCFRO COc1ccc(C(=O)COc2ccc([N+](C)(C)Cc3ccccc3)cc2)cc1OC ZINC000013586890 717108356 /nfs/dbraw/zinc/10/83/56/717108356.db2.gz IRYUPEYMYZHTOD-UHFFFAOYSA-N 1 0 406.502 4.733 1 10 HJCFRO CC[n+]1c(/C=C2\C=Cc3cc(OC)ccc3N2CC)sc2ccc(C(=O)OC)cc21 ZINC000005585984 132307024 /nfs/dbraw/zinc/30/70/24/132307024.db2.gz OIUMLFBIJFCHFQ-UHFFFAOYSA-N 1 0 421.542 4.898 1 10 HJCFRO