smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@@H]2c3cc4c(c(OC)c3CC[N@@H+]2C)OCO4)cc1	ZINC000082191003	553675841	/nfs/dbraw/zinc/67/58/41/553675841.db2.gz	BWMIXNFPFRIESN-CZNDPXEESA-N	2	1	697.849	6.939	40	5		KKBBMP
COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N@@H+]2C)OCO4)cc1	ZINC000082190998	553675785	/nfs/dbraw/zinc/67/57/85/553675785.db2.gz	BWMIXNFPFRIESN-JHOUSYSJSA-N	2	1	697.849	6.939	40	5		KKBBMP
COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(C6CC[NH+](CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1	ZINC000004215707	552450004	/nfs/dbraw/zinc/45/00/04/552450004.db2.gz	NHUWXMNVGMRODJ-UHFFFAOYSA-P	3	1	718.946	7.978	40	5	in-man	KKBBMP
COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1	ZINC000004215707	552450007	/nfs/dbraw/zinc/45/00/07/552450007.db2.gz	NHUWXMNVGMRODJ-UHFFFAOYSA-P	2	1	718.946	7.978	40	5	in-man	KKBBMP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4	ZINC000095612501	553705843	/nfs/dbraw/zinc/70/58/43/553705843.db2.gz	PUAVTDKYTXNVBU-OIDHKYIRSA-N	2	1	757.840	8.281	40	5	in-vitro	KKBBMP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4	ZINC000095612501	553705847	/nfs/dbraw/zinc/70/58/47/553705847.db2.gz	PUAVTDKYTXNVBU-OIDHKYIRSA-N	2	1	757.840	8.281	40	5	in-vitro	KKBBMP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4	ZINC000095612501	553705851	/nfs/dbraw/zinc/70/58/51/553705851.db2.gz	PUAVTDKYTXNVBU-OIDHKYIRSA-N	2	1	757.840	8.281	40	5	in-vitro	KKBBMP