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([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1	ZINC000008105027	571204815	/nfs/dbraw/zinc/20/48/15/571204815.db2.gz	AMMMLRBHMRCWBW-UHFFFAOYSA-N	-2	1	373.352	3.523	40	0		FHABML
O=C([O-])c1ccc(NC2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000217503935	206363286	/nfs/dbraw/zinc/36/32/86/206363286.db2.gz	BHJSEZCXSOVLJH-UHFFFAOYSA-N	-2	1	374.462	3.930	40	0		FHABML
CCC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000217506219	520668188	/nfs/dbraw/zinc/66/81/88/520668188.db2.gz	MEQDOEZGDNZSPQ-CYBMUJFWSA-N	-2	1	362.451	3.786	40	0		FHABML
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1	ZINC000223367894	209191613	/nfs/dbraw/zinc/19/16/13/209191613.db2.gz	UUUKVJXNOMAZGO-UHFFFAOYSA-N	-2	1	364.181	3.632	40	0		FHABML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1	ZINC000008104854	570794472	/nfs/dbraw/zinc/79/44/72/570794472.db2.gz	ZXFLDSNJXXQSJU-UHFFFAOYSA-N	-2	1	374.245	3.811	40	0		FHABML
CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000072602000	208185742	/nfs/dbraw/zinc/18/57/42/208185742.db2.gz	VLADCWMSGNSBOT-UHFFFAOYSA-N	-2	1	361.463	3.629	40	0		FHABML
O=C([O-])COc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1Cl	ZINC000033739823	571305866	/nfs/dbraw/zinc/30/58/66/571305866.db2.gz	RDEYQTCZVCCTKL-BAQGIRSFSA-N	-2	1	364.231	3.786	40	0		FHABML
O=C1[N-]C(=S)SC1=Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)o1	ZINC000016429420	570855667	/nfs/dbraw/zinc/85/56/67/570855667.db2.gz	SGXBQFWXLITYHC-KPKJPENVSA-N	-2	1	367.429	3.522	40	0		FHABML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000231425753	571307889	/nfs/dbraw/zinc/30/78/89/571307889.db2.gz	UIPSQRPSCHKDLJ-UHFFFAOYSA-N	-2	1	353.399	3.853	40	0		FHABML
O=C([O-])c1ccc(NC2CCCC2)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000217503814	568188363	/nfs/dbraw/zinc/18/83/63/568188363.db2.gz	LNZSVPKUMHTKPP-UHFFFAOYSA-N	-2	1	360.435	3.540	40	0		FHABML
CCCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000217506013	520228703	/nfs/dbraw/zinc/22/87/03/520228703.db2.gz	OWKSKYNSBDHINL-UHFFFAOYSA-N	-2	1	362.451	3.788	40	0		FHABML
CC(C)CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000217506118	519663939	/nfs/dbraw/zinc/66/39/39/519663939.db2.gz	NKCKPUMIKGTJSA-UHFFFAOYSA-N	-2	1	362.451	3.644	40	0		FHABML
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1	ZINC000223367973	571278048	/nfs/dbraw/zinc/27/80/48/571278048.db2.gz	PAOBCOSTLPRHKZ-UHFFFAOYSA-N	-2	1	364.181	3.632	40	0		FHABML
CCC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000217506304	521062885	/nfs/dbraw/zinc/06/28/85/521062885.db2.gz	MEQDOEZGDNZSPQ-ZDUSSCGKSA-N	-2	1	362.451	3.786	40	0		FHABML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1F	ZINC000023716873	568416708	/nfs/dbraw/zinc/41/67/08/568416708.db2.gz	OWAKCWLNZWGRDQ-UHFFFAOYSA-N	-2	1	364.181	3.632	40	0		FHABML
Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccccc2[O-])cc1	ZINC000408561315	570555104	/nfs/dbraw/zinc/55/51/04/570555104.db2.gz	HRFDIJYMRFLPPS-UHFFFAOYSA-N	-2	1	364.401	3.570	40	0		FHABML