smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000007230531	425638747	/nfs/dbraw/zinc/63/87/47/425638747.db2.gz	VKILQLBSBBFYHY-UHFFFAOYSA-N	-1	2	323.345	2.942	40	0		DFABLM
Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C	ZINC000007230446	425639404	/nfs/dbraw/zinc/63/94/04/425639404.db2.gz	IDJIAVKADWXGAQ-UHFFFAOYSA-N	-1	2	323.345	2.942	40	0		DFABLM
Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000007230437	425639616	/nfs/dbraw/zinc/63/96/16/425639616.db2.gz	YYWLBTVGFZYIFS-UHFFFAOYSA-N	-1	2	309.318	2.633	40	0		DFABLM
CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)[O-]	ZINC000028654937	182533980	/nfs/dbraw/zinc/53/39/80/182533980.db2.gz	WXYGVKADAIJGHB-ZDUSSCGKSA-N	-1	2	304.346	2.688	40	0		DFABLM
O=C([O-])C(C(=O)O)[C@H](CC(=O)c1ccccc1)c1ccccc1	ZINC000006575563	181356453	/nfs/dbraw/zinc/35/64/53/181356453.db2.gz	HHCMOYAXJFBXPH-CQSZACIVSA-N	-1	2	312.321	2.829	40	0		DFABLM
COc1cc(C(=O)[O-])ccc1OCC(=O)Nc1cccc(C)c1	ZINC000013419496	181848708	/nfs/dbraw/zinc/84/87/08/181848708.db2.gz	DVUMZIURGQJWEC-UHFFFAOYSA-N	-1	2	315.325	2.719	40	0		DFABLM
CCOC(=O)Cc1nnc(COc2ccc3ccccc3c2)[nH]1	ZINC000040175858	257129892	/nfs/dbraw/zinc/12/98/92/257129892.db2.gz	DSMUBUUHRLATBT-UHFFFAOYSA-N	-1	2	311.341	2.643	40	0		DFABLM
O=c1[n-]c(SCc2nnc(-c3cccc(Cl)c3)o2)n[nH]1	ZINC000194625006	201264133	/nfs/dbraw/zinc/26/41/33/201264133.db2.gz	WTDOBHHIWUHKLT-UHFFFAOYSA-N	-1	2	309.738	2.506	40	0		DFABLM
CCOC(=O)Cc1nnc(COc2ccc(C(C)(C)C)cc2)[nH]1	ZINC000040175850	257129848	/nfs/dbraw/zinc/12/98/48/257129848.db2.gz	PMJAAYKYWVLGNC-UHFFFAOYSA-N	-1	2	317.389	2.787	40	0		DFABLM
CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000007230543	425639280	/nfs/dbraw/zinc/63/92/80/425639280.db2.gz	HHQCYHGMBUYNRV-UHFFFAOYSA-N	-1	2	323.345	2.887	40	0		DFABLM
Cc1conc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F	ZINC000194619905	201264399	/nfs/dbraw/zinc/26/43/99/201264399.db2.gz	CNVUHVBOKCWDHV-UHFFFAOYSA-N	-1	2	304.730	2.717	40	0		DFABLM
O=C([O-])Cc1cc(Br)c(O)c(Br)c1	ZINC000001566328	304088283	/nfs/dbraw/zinc/08/82/83/304088283.db2.gz	WZHLZXHHXUHDDU-UHFFFAOYSA-N	-1	2	309.941	2.544	40	0		DFABLM
Cc1ccc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)s1	ZINC000078789782	426186253	/nfs/dbraw/zinc/18/62/53/426186253.db2.gz	HKFWPYLZSURGBI-UHFFFAOYSA-N	-1	2	311.384	2.864	40	0		DFABLM
Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000007230494	425639288	/nfs/dbraw/zinc/63/92/88/425639288.db2.gz	ROHCXCPMXYIFBS-UHFFFAOYSA-N	-1	2	323.345	2.942	40	0		DFABLM
O=C([O-])C(C(=O)O)[C@@H](CC(=O)c1ccccc1)c1ccccc1	ZINC000001601863	425582881	/nfs/dbraw/zinc/58/28/81/425582881.db2.gz	HHCMOYAXJFBXPH-AWEZNQCLSA-N	-1	2	312.321	2.829	40	0		DFABLM