smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(N)=NNS(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-]	ZINC000029477939	553845055	/nfs/dbraw/zinc/84/50/55/553845055.db2.gz	PPUSFIIKTSRZNO-UHFFFAOYSA-N	-1	2	573.843	2.111	40	0		KEABLM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(C)(=O)=O)c(OC)c1	ZINC000060028265	554491754	/nfs/dbraw/zinc/49/17/54/554491754.db2.gz	ZVLAAVKVVXKSDM-UHFFFAOYSA-N	-1	2	535.604	2.008	40	0		KEABLM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3sc(=Cc4c(=O)[n-]c(=S)n(-c5ccc(Cl)cc5)c4O)c(=O)n32)cc1OCC	ZINC000408938052	1066393953	/nfs/dbraw/zinc/39/39/53/1066393953.db2.gz	ROVPMUDBVQLXFA-QQQSUWHHSA-N	-1	2	641.127	2.485	40	0		KEABLM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3sc(=Cc4c(=O)[n-]c(=S)n(-c5ccc(Cl)cc5)c4O)c(=O)n32)cc1OCC	ZINC000408938058	1066393912	/nfs/dbraw/zinc/39/39/12/1066393912.db2.gz	ROVPMUDBVQLXFA-WIBYSAQTSA-N	-1	2	641.127	2.485	40	0		KEABLM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3sc(=Cc4c(=O)[n-]c(=S)n(-c5ccc(Cl)cc5)c4O)c(=O)n32)cc1OCC	ZINC000408938061	1066393669	/nfs/dbraw/zinc/39/36/69/1066393669.db2.gz	ROVPMUDBVQLXFA-XJCUSZMCSA-N	-1	2	641.127	2.485	40	0		KEABLM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3sc(=Cc4c(=O)[n-]c(=S)n(-c5ccc(Cl)cc5)c4O)c(=O)n32)cc1OCC	ZINC000408938067	1066394422	/nfs/dbraw/zinc/39/44/22/1066394422.db2.gz	ROVPMUDBVQLXFA-XYDWAESLSA-N	-1	2	641.127	2.485	40	0		KEABLM
COC(=O)COc1c(Br)cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC	ZINC000409074991	1066401928	/nfs/dbraw/zinc/40/19/28/1066401928.db2.gz	WFRBGQGAAPFRJM-UHFFFAOYSA-N	-1	2	629.511	2.134	40	0		KEABLM
CCOC(=O)COc1c(Cl)cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC	ZINC000409090525	1066212453	/nfs/dbraw/zinc/21/24/53/1066212453.db2.gz	QZMHPIPGIJBUIQ-UHFFFAOYSA-N	-1	2	599.087	2.415	40	0		KEABLM
COc1cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OC	ZINC000409095026	1066402427	/nfs/dbraw/zinc/40/24/27/1066402427.db2.gz	GZEAUKWQXZCWAH-UHFFFAOYSA-N	-1	2	527.024	2.482	40	0		KEABLM
COC(=O)COc1c(Cl)cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC	ZINC000409096528	1066402257	/nfs/dbraw/zinc/40/22/57/1066402257.db2.gz	LHELVAGPJIINQS-UHFFFAOYSA-N	-1	2	585.060	2.025	40	0		KEABLM