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(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000791258621	1067110543	/nfs/dbraw/zinc/11/05/43/1067110543.db2.gz	GWKGVLLLVQKBGM-AWEZNQCLSA-N	-1	3	484.556	-1.400	20	30		JAEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000791258630	1067110390	/nfs/dbraw/zinc/11/03/90/1067110390.db2.gz	GWKGVLLLVQKBGM-CQSZACIVSA-N	-1	3	484.556	-1.400	20	30		JAEDHM
CN(C)C(=O)CN1CCN(C(=O)COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000917224061	1067077598	/nfs/dbraw/zinc/07/75/98/1067077598.db2.gz	BLQSYTGUAUSITH-UHFFFAOYSA-N	-1	3	451.505	-1.499	20	30		JAEDHM
C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000917230145	1067077902	/nfs/dbraw/zinc/07/79/02/1067077902.db2.gz	CPNJVGMYJXGYKR-AWEZNQCLSA-N	-1	3	465.532	-1.111	20	30		JAEDHM
C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000917230146	1067077772	/nfs/dbraw/zinc/07/77/72/1067077772.db2.gz	CPNJVGMYJXGYKR-CQSZACIVSA-N	-1	3	465.532	-1.111	20	30		JAEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000919818434	1067086643	/nfs/dbraw/zinc/08/66/43/1067086643.db2.gz	LQGNQZYKPXJOFX-CYBMUJFWSA-N	-1	3	490.585	-1.614	20	30		JAEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000919818435	1067086861	/nfs/dbraw/zinc/08/68/61/1067086861.db2.gz	LQGNQZYKPXJOFX-ZDUSSCGKSA-N	-1	3	490.585	-1.614	20	30		JAEDHM
CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC001171370538	1067145372	/nfs/dbraw/zinc/14/53/72/1067145372.db2.gz	WZZQELRRFSOBOE-QRCICBRQSA-N	-1	3	498.445	-1.079	20	30		JAEDHM
N#Cc1ccc(C(=O)N2CCC(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)CC2)cc1	ZINC001173428278	1067147300	/nfs/dbraw/zinc/14/73/00/1067147300.db2.gz	ZUHDZLNMAMDGBS-VDCDIQELSA-N	-1	3	471.488	-1.621	20	30		JAEDHM
N#Cc1ccc(C(=O)N2CCC(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)CC2)cc1	ZINC001173428287	1067147606	/nfs/dbraw/zinc/14/76/06/1067147606.db2.gz	ZUHDZLNMAMDGBS-VYIWNADRSA-N	-1	3	471.488	-1.621	20	30		JAEDHM
CCOCCS(=O)(=O)[N-][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC	ZINC001187318234	1067215040	/nfs/dbraw/zinc/21/50/40/1067215040.db2.gz	IBNSZJIMTBNTPO-KBPBESRZSA-N	-1	3	499.608	-1.252	20	30		JAEDHM
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1cn[n-]n1)C(=O)OCC	ZINC001189356676	1067219255	/nfs/dbraw/zinc/21/92/55/1067219255.db2.gz	XGUAJCPKOSXYMY-JQWIXIFHSA-N	-1	3	458.497	-1.660	20	30		JAEDHM
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([N-]S(=O)(=O)CCOC)C(=O)OCC	ZINC001259976338	1067386768	/nfs/dbraw/zinc/38/67/68/1067386768.db2.gz	MDIJKFYDCLGLDD-STQMWFEESA-N	-1	3	485.581	-1.642	20	30		JAEDHM
O=C[C@H]([N-]S(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC001260482445	1067388058	/nfs/dbraw/zinc/38/80/58/1067388058.db2.gz	GBUUSUZZWMFYQU-SJXGUFTOSA-N	-1	3	465.527	-1.498	20	30		JAEDHM
C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1	ZINC001665179748	1067552186	/nfs/dbraw/zinc/55/21/86/1067552186.db2.gz	SOBCKXWBAHFFSD-UHFFFAOYSA-N	-1	3	454.527	-1.029	20	30		JAEDHM