smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCS(=O)(=O)CC[NH+]1CCCCCC1)NCNC(=O)CCS(=O)(=O)CC[NH+]1CCCCCC1	ZINC000006073442	552521282	/nfs/dbraw/zinc/52/12/82/552521282.db2.gz	UDKCXZGSGUSGSE-UHFFFAOYSA-N	2	0	536.761	0.538	50	0		KCAARP
c1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)ccc1CN1CCC[NH2+]CCNCCC[NH2+]CC1	ZINC000022443609	472504594	/nfs/dbraw/zinc/50/45/94/472504594.db2.gz	YIQPUIGJQJDJOS-UHFFFAOYSA-N	4	0	502.796	0.416	50	0	fda	KCAARP
CC(C)([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000029562299	553846696	/nfs/dbraw/zinc/84/66/96/553846696.db2.gz	NEHWBYHLYZGBNO-BVEPWEIPSA-N	2	0	711.868	0.882	50	0	investigational	KCAARP
CC1(C)C(=O)N(C[C@@H](O)C[NH+]2CCCCC2)C(=O)N1CN1C(=O)N(C[C@@H](O)C[NH+]2CCCCC2)C(=O)C1(C)C	ZINC000029747439	553847387	/nfs/dbraw/zinc/84/73/87/553847387.db2.gz	YFFLJJPQLDOOHP-SFTDATJTSA-N	2	0	550.701	0.723	50	0		KCAARP
CC1(C)C(=O)N(C[C@@H](O)C[NH+]2CCCCC2)C(=O)N1CN1C(=O)N(C[C@H](O)C[NH+]2CCCCC2)C(=O)C1(C)C	ZINC000029747441	553847395	/nfs/dbraw/zinc/84/73/95/553847395.db2.gz	YFFLJJPQLDOOHP-OYRHEFFESA-N	2	0	550.701	0.723	50	0		KCAARP
CC1(C)C(=O)N(C[C@H](O)C[NH+]2CCCCC2)C(=O)N1CN1C(=O)N(C[C@H](O)C[NH+]2CCCCC2)C(=O)C1(C)C	ZINC000029747444	553847305	/nfs/dbraw/zinc/84/73/05/553847305.db2.gz	YFFLJJPQLDOOHP-NHCUHLMSSA-N	2	0	550.701	0.723	50	0		KCAARP
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)CC(=O)NCC[NH+](C)C)ccc2N2CC[NH2+]CC2)cc1	ZINC000033033185	553891717	/nfs/dbraw/zinc/89/17/17/553891717.db2.gz	ZWFSLMAWIRNLJX-UHFFFAOYSA-N	2	0	516.668	0.955	50	0		KCAARP
Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)N(C)CC(=O)NCC[NH+](C)C)ccc1N1CC[NH2+]CC1	ZINC000033033520	553892530	/nfs/dbraw/zinc/89/25/30/553892530.db2.gz	UFYIBTZIMRDYOW-UHFFFAOYSA-N	2	0	516.668	0.955	50	0		KCAARP
Cc1nccn1C[C@@H](O)CN1C(=O)N(CN2C(=O)N(C[C@H](O)Cn3ccnc3C)C(=O)C2(C)C)C(C)(C)C1=O	ZINC000100660789	554438531	/nfs/dbraw/zinc/43/85/31/554438531.db2.gz	SPCFEWPWXJVOLB-RTBURBONSA-N	2	0	544.613	0.162	50	0		KCAARP
Cc1nccn1C[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)Cn3ccnc3C)C(=O)C2(C)C)C(C)(C)C1=O	ZINC000100660792	554438549	/nfs/dbraw/zinc/43/85/49/554438549.db2.gz	SPCFEWPWXJVOLB-OALUTQOASA-N	2	0	544.613	0.162	50	0		KCAARP
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C[N@H+](C)[C@@H](C)[C@H](O)[C@]1(C)O	ZINC000257357798	572322058	/nfs/dbraw/zinc/32/20/58/572322058.db2.gz	PXDYILJJHOVNLO-BKDKAUBKSA-N	2	0	590.799	0.976	50	0		KCAARP
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C[N@H+](C)[C@@H](C)[C@H](O)[C@]1(C)O	ZINC000257357799	572322053	/nfs/dbraw/zinc/32/20/53/572322053.db2.gz	PXDYILJJHOVNLO-HRHIYBHHSA-N	2	0	590.799	0.976	50	0		KCAARP
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([NH+](C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C[N@H+](C)[C@@H](C)[C@H](O)[C@]1(C)O	ZINC000257357800	572322051	/nfs/dbraw/zinc/32/20/51/572322051.db2.gz	PXDYILJJHOVNLO-OBNRBEPISA-N	2	0	590.799	0.976	50	0		KCAARP
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@@H]([NH+](C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C[N@H+](C)[C@@H](C)[C@H](O)[C@]1(C)O	ZINC000257357801	572322056	/nfs/dbraw/zinc/32/20/56/572322056.db2.gz	PXDYILJJHOVNLO-WAPWTAKDSA-N	2	0	590.799	0.976	50	0		KCAARP