smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NS(C)(=O)=O)C[N@H+]32)CC1	ZINC000015708590	523871260	/nfs/dbraw/zinc/87/12/60/523871260.db2.gz	GKXRPWCDTWETFO-MJBXVCDLSA-N	2	2	387.506	-1.969	40	0	biogenic,in-vitro	GAABLP
C[NH+]1CCN(C(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NS(C)(=O)=O)C[N@@H+]32)CC1	ZINC000015708590	523871254	/nfs/dbraw/zinc/87/12/54/523871254.db2.gz	GKXRPWCDTWETFO-MJBXVCDLSA-N	2	2	387.506	-1.969	40	0	biogenic,in-vitro	GAABLP
Cn1nnnc1SC(C(=O)N1CC[NH+](C)CC1)C(=O)N1CC[NH+](C)CC1	ZINC000016363625	221362151	/nfs/dbraw/zinc/36/21/51/221362151.db2.gz	MUQVWSGCODYZFL-UHFFFAOYSA-N	2	2	382.494	-1.781	40	0		GAABLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(COCCN(C(=O)c3cn(CC[NH3+])nn3)C1)O2	ZINC000257218127	209056844	/nfs/dbraw/zinc/05/68/44/209056844.db2.gz	DBYZPMXNKQJLAX-HNNXBMFYSA-N	2	2	375.393	-1.963	40	0		GAABLP
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)COCCN(C(=O)c2cn(CC[NH3+])nn2)C1	ZINC000257218127	209056828	/nfs/dbraw/zinc/05/68/28/209056828.db2.gz	DBYZPMXNKQJLAX-HNNXBMFYSA-N	2	2	375.393	-1.963	40	0		GAABLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(COCCN(C(=O)c3cn(CC[NH3+])nn3)C1)O2	ZINC000257218128	209058463	/nfs/dbraw/zinc/05/84/63/209058463.db2.gz	DBYZPMXNKQJLAX-OAHLLOKOSA-N	2	2	375.393	-1.963	40	0		GAABLP
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)COCCN(C(=O)c2cn(CC[NH3+])nn2)C1	ZINC000257218128	209058462	/nfs/dbraw/zinc/05/84/62/209058462.db2.gz	DBYZPMXNKQJLAX-OAHLLOKOSA-N	2	2	375.393	-1.963	40	0		GAABLP