smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4cccs4)ccc3[O-])cc2n(C)c1=O	ZINC001292196300	1064988324	/nfs/dbraw/zinc/98/83/24/1064988324.db2.gz	JAOQAHRGYSCSFG-UHFFFAOYSA-N	-2	1	458.521	2.697	20	10		JFCDML
O=C(CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCCCCC1	ZINC001292289940	1065061958	/nfs/dbraw/zinc/06/19/58/1065061958.db2.gz	DSEDQYRNQJHKIW-UHFFFAOYSA-N	-2	1	451.570	2.777	20	10		JFCDML
CCOC(=O)N1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC001292373603	1065117102	/nfs/dbraw/zinc/11/71/02/1065117102.db2.gz	XIPWEQKQPSGHMG-UHFFFAOYSA-N	-2	1	453.542	2.559	20	10		JFCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCN(Cc2ccccn2)CC1	ZINC001290367019	1062072951	/nfs/dbraw/zinc/07/29/51/1062072951.db2.gz	QEJOYQZQCNTXQA-UHFFFAOYSA-N	-2	1	458.565	2.608	20	10		JFCDML
Cc1nc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cn1C	ZINC000727112341	1060015110	/nfs/dbraw/zinc/01/51/10/1060015110.db2.gz	DEZAZJLXIYYYCF-UHFFFAOYSA-N	-2	1	465.513	2.547	20	10		JFCDML
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cc1C(=O)[O-]	ZINC000731339934	1062854819	/nfs/dbraw/zinc/85/48/19/1062854819.db2.gz	GPKXMJSCYDPUKU-UHFFFAOYSA-N	-2	1	483.307	2.562	20	10		JFCDML
COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)cc1Cl	ZINC000729836003	1060026316	/nfs/dbraw/zinc/02/63/16/1060026316.db2.gz	KEYGFKOSSYXCDD-UHFFFAOYSA-N	-2	1	469.324	2.873	20	10		JFCDML
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000731051511	1062744325	/nfs/dbraw/zinc/74/43/25/1062744325.db2.gz	PPNHZKDUDXIBRS-UHFFFAOYSA-N	-2	1	479.540	2.855	20	10		JFCDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)c(Br)c1	ZINC000728017522	1060019361	/nfs/dbraw/zinc/01/93/61/1060019361.db2.gz	UEIXAASWDLTJAB-UHFFFAOYSA-N	-2	1	463.331	2.628	20	10		JFCDML
CC(C)(C)OC(=O)NCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001293070883	1065724084	/nfs/dbraw/zinc/72/40/84/1065724084.db2.gz	FKJXFSDRNTXYQK-UHFFFAOYSA-N	-2	1	455.558	2.899	20	10		JFCDML
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1C(=O)[O-]	ZINC000728015501	1060019729	/nfs/dbraw/zinc/01/97/29/1060019729.db2.gz	RJKFIOKGNUYVGU-UHFFFAOYSA-N	-2	1	483.749	2.973	20	10		JFCDML
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1C(=O)[O-]	ZINC000728507907	1060022404	/nfs/dbraw/zinc/02/24/04/1060022404.db2.gz	KPGBSMSGAMHWAU-UHFFFAOYSA-N	-2	1	456.395	2.715	20	10		JFCDML
CC(C)(C)OC(=O)N1CC(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC001293332270	1065952304	/nfs/dbraw/zinc/95/23/04/1065952304.db2.gz	IPOSFZWTZYPNKY-UHFFFAOYSA-N	-2	1	453.542	2.604	20	10		JFCDML
Cc1nc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c[nH]1	ZINC000727350532	1060016225	/nfs/dbraw/zinc/01/62/25/1060016225.db2.gz	PRTVJJKASKHEDZ-UHFFFAOYSA-N	-2	1	451.486	2.536	20	10		JFCDML
CC(C)C(=O)NC1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC001290902664	1062776565	/nfs/dbraw/zinc/77/65/65/1062776565.db2.gz	RXXJWYUCKMMIJU-UHFFFAOYSA-N	-2	1	451.570	2.631	20	10		JFCDML
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001292912386	1065602828	/nfs/dbraw/zinc/60/28/28/1065602828.db2.gz	KFYBZJWLVHLWBR-QGZVFWFLSA-N	-2	1	457.533	2.790	20	10		JFCDML
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001292912385	1065602844	/nfs/dbraw/zinc/60/28/44/1065602844.db2.gz	KFYBZJWLVHLWBR-KRWDZBQOSA-N	-2	1	457.533	2.790	20	10		JFCDML
Cc1ccc(C(=O)NCCNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])cc1	ZINC001293526218	1066047353	/nfs/dbraw/zinc/04/73/53/1066047353.db2.gz	SGBXJLWXCFNIAJ-UHFFFAOYSA-N	-2	1	459.549	2.723	20	10		JFCDML