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-])CCCN1C(=O)/C(=C\c2cccc(C(=O)[O-])c2)SC1=S	ZINC000207435500	598200689	/nfs/dbraw/zinc/20/06/89/598200689.db2.gz	BMJUHYUHGXBOJR-DHZHZOJOSA-N	-2	0	351.405	2.451	20	10		FECDRL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000740136191	599826654	/nfs/dbraw/zinc/82/66/54/599826654.db2.gz	RRWJNLPDEGNJPS-UHFFFAOYSA-N	-3	0	371.754	2.243	20	10		FECDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000766047395	680864237	/nfs/dbraw/zinc/86/42/37/680864237.db2.gz	HHGCWPPCPSJEBT-UHFFFAOYSA-N	-2	0	353.327	2.233	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1O	ZINC000757654707	680530478	/nfs/dbraw/zinc/53/04/78/680530478.db2.gz	GLRUNLHRIPMILN-UHFFFAOYSA-N	-2	0	372.742	2.453	20	10		FECDRL
Cc1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc(C(=O)[O-])c1C	ZINC000775289083	681293056	/nfs/dbraw/zinc/29/30/56/681293056.db2.gz	PZCNUNPNSKOXTM-UHFFFAOYSA-N	-2	0	366.351	2.416	20	10		FECDRL
COc1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)ccc1O	ZINC000797819996	683276196	/nfs/dbraw/zinc/27/61/96/683276196.db2.gz	AJLJSSKSMGSQPH-UHFFFAOYSA-N	-2	0	355.343	2.347	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1O	ZINC000324227153	673045337	/nfs/dbraw/zinc/04/53/37/673045337.db2.gz	XBSLORREHNCTRK-UHFFFAOYSA-N	-2	0	372.742	2.453	20	10		FECDRL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000775287966	681293029	/nfs/dbraw/zinc/29/30/29/681293029.db2.gz	GRZSLGUSOCGQNB-UHFFFAOYSA-N	-2	0	353.312	2.318	20	10		FECDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000790409046	682674321	/nfs/dbraw/zinc/67/43/21/682674321.db2.gz	LIZUUVMZYIGJDB-UHFFFAOYSA-N	-2	0	355.343	2.429	20	10		FECDRL
CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000799536116	683465899	/nfs/dbraw/zinc/46/58/99/683465899.db2.gz	MJBAXXQRGMNBDG-UHFFFAOYSA-N	-2	0	365.363	2.068	20	10		FECDRL
COc1cc(C)c([N-]S(=O)(=O)c2cccc3nonc32)c(C(=O)[O-])c1	ZINC000758944207	680616787	/nfs/dbraw/zinc/61/67/87/680616787.db2.gz	FRBBCYPKOUVRPS-UHFFFAOYSA-N	-2	0	363.351	2.039	20	10		FECDRL
Cc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)c1C(=O)[O-]	ZINC000775288067	681292947	/nfs/dbraw/zinc/29/29/47/681292947.db2.gz	IXLCHUWMLAYCBU-UHFFFAOYSA-N	-2	0	366.351	2.416	20	10		FECDRL
COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000795349012	683042723	/nfs/dbraw/zinc/04/27/23/683042723.db2.gz	RUJCDBQNYFRKGP-UHFFFAOYSA-N	-2	0	368.367	2.256	20	10		FECDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(F)cc1F	ZINC000740090134	600229875	/nfs/dbraw/zinc/22/98/75/600229875.db2.gz	TUVIHAVNBQCXPW-UHFFFAOYSA-N	-2	0	357.290	2.193	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)ccc1O	ZINC000757657125	680530804	/nfs/dbraw/zinc/53/08/04/680530804.db2.gz	RUIKGBPFRRJADD-UHFFFAOYSA-N	-2	0	367.770	2.192	20	10		FECDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000775289670	681293339	/nfs/dbraw/zinc/29/33/39/681293339.db2.gz	YJQUPDSVHGXJQS-UHFFFAOYSA-N	-2	0	366.351	2.416	20	10		FECDRL
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc3nonc32)cc1F	ZINC000776581074	681410286	/nfs/dbraw/zinc/41/02/86/681410286.db2.gz	CLMYFUJMTCXSJH-UHFFFAOYSA-N	-2	0	351.315	2.169	20	10		FECDRL
O=C([O-])CCCN1C(=O)/C(=C\c2cc(C(=O)[O-])ccc2O)SC1=S	ZINC000207393615	599935938	/nfs/dbraw/zinc/93/59/38/599935938.db2.gz	UCGORRGGHNSBTL-YRNVUSSQSA-N	-2	0	367.404	2.156	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776433323	681391054	/nfs/dbraw/zinc/39/10/54/681391054.db2.gz	PXFVTSMANHWLGO-UHFFFAOYSA-N	-2	0	372.742	2.453	20	10		FECDRL
C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000825448685	604752244	/nfs/dbraw/zinc/75/22/44/604752244.db2.gz	HMGMRBKOHJVACX-VIFPVBQESA-N	-2	0	362.367	2.352	20	10		FECDRL
O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753018594	680271211	/nfs/dbraw/zinc/27/12/11/680271211.db2.gz	XPDFXDAWFOYFEM-UHFFFAOYSA-N	-2	0	365.260	2.448	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000776434929	681391657	/nfs/dbraw/zinc/39/16/57/681391657.db2.gz	RFZRWAFUDAGXIZ-UHFFFAOYSA-N	-2	0	372.742	2.453	20	10		FECDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000790411898	682674702	/nfs/dbraw/zinc/67/47/02/682674702.db2.gz	UJTFYGBFNGFOHR-UHFFFAOYSA-N	-2	0	351.380	2.219	20	10		FECDRL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000751185195	680158906	/nfs/dbraw/zinc/15/89/06/680158906.db2.gz	AICXNBLKSWOKEF-UHFFFAOYSA-N	-2	0	365.363	2.152	20	10		FECDRL
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000753520960	680301917	/nfs/dbraw/zinc/30/19/17/680301917.db2.gz	HEMOSZDCSKTDAZ-UHFFFAOYSA-N	-3	0	374.277	2.078	20	10		FECDRL
CCc1noc2ncc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cc12	ZINC000775288466	681293133	/nfs/dbraw/zinc/29/31/33/681293133.db2.gz	MHSXDSCPYAAJJM-UHFFFAOYSA-N	-2	0	364.339	2.200	20	10		FECDRL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000737717630	600679076	/nfs/dbraw/zinc/67/90/76/600679076.db2.gz	MXMBDMSQWJTYMI-UHFFFAOYSA-N	-2	0	371.392	2.048	20	10		FECDRL
Cn1cc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)cc1C(=O)[O-]	ZINC000833055302	600828483	/nfs/dbraw/zinc/82/84/83/600828483.db2.gz	GGRUPSPLAXHAFQ-UHFFFAOYSA-N	-2	0	353.381	2.241	20	10		FECDRL
O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000776434309	602195112	/nfs/dbraw/zinc/19/51/12/602195112.db2.gz	BYDSEEGJLCWQJL-UHFFFAOYSA-N	-2	0	353.743	2.375	20	10		FECDRL
CCc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000749771197	680074341	/nfs/dbraw/zinc/07/43/41/680074341.db2.gz	JMIMZBWBGDNBPR-UHFFFAOYSA-N	-2	0	365.363	2.152	20	10		FECDRL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775285804	681291736	/nfs/dbraw/zinc/29/17/36/681291736.db2.gz	CTCWULURBWMCFL-UHFFFAOYSA-N	-2	0	370.314	2.027	20	10		FECDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000775286386	681292498	/nfs/dbraw/zinc/29/24/98/681292498.db2.gz	GISKEEYPLCEIJG-UHFFFAOYSA-N	-2	0	371.392	2.048	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21	ZINC000776433355	681391141	/nfs/dbraw/zinc/39/11/41/681391141.db2.gz	RPVRJMOJJBOZCM-UHFFFAOYSA-N	-2	0	367.770	2.421	20	10		FECDRL
O=C([O-])CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2Cl)SC1=S	ZINC000783683669	682166780	/nfs/dbraw/zinc/16/67/80/682166780.db2.gz	LUXIJIXAWJYRDJ-WTKPLQERSA-N	-2	0	357.796	2.324	20	10		FECDRL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000793404258	682886791	/nfs/dbraw/zinc/88/67/91/682886791.db2.gz	FQOBIVXXAPRFII-UHFFFAOYSA-N	-2	0	369.326	2.037	20	10		FECDRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1Cl	ZINC000765059004	602200014	/nfs/dbraw/zinc/20/00/14/602200014.db2.gz	AAYCKCRLCYAGQY-UHFFFAOYSA-N	-2	0	353.743	2.375	20	10		FECDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1[O-]	ZINC000775286544	681292591	/nfs/dbraw/zinc/29/25/91/681292591.db2.gz	WGILNZJJJWTTOK-UHFFFAOYSA-N	-2	0	357.275	2.149	20	10		FECDRL
COc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(F)c1	ZINC000776435010	681391540	/nfs/dbraw/zinc/39/15/40/681391540.db2.gz	VTVAGXGEPZGKGF-UHFFFAOYSA-N	-2	0	359.306	2.178	20	10		FECDRL
CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765090887	602199932	/nfs/dbraw/zinc/19/99/32/602199932.db2.gz	ZRGQXLJHJSXCPY-UHFFFAOYSA-N	-2	0	361.379	2.386	20	10		FECDRL
O=C([O-])CN1C(=O)/C(=C/c2cccc3c2N(C(=O)[O-])CC3)SC1=S	ZINC000831815520	603810316	/nfs/dbraw/zinc/81/03/16/603810316.db2.gz	LFQYZEGFBKKRSK-POHAHGRESA-N	-2	0	364.404	2.013	20	10		FECDRL
Cc1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc(C(=O)[O-])c1F	ZINC000763291195	680778568	/nfs/dbraw/zinc/77/85/68/680778568.db2.gz	SZURUAAGHNPWJC-UHFFFAOYSA-N	-2	0	369.326	2.037	20	10		FECDRL
COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000753520105	680301955	/nfs/dbraw/zinc/30/19/55/680301955.db2.gz	DUVHGXGKTUBYDL-UHFFFAOYSA-N	-2	0	366.351	2.196	20	10		FECDRL
Cc1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc(C(=O)[O-])c1C	ZINC000760365101	680684547	/nfs/dbraw/zinc/68/45/47/680684547.db2.gz	ICYFQZSTWBYSBB-UHFFFAOYSA-N	-2	0	365.363	2.206	20	10		FECDRL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1F	ZINC000760365149	680684569	/nfs/dbraw/zinc/68/45/69/680684569.db2.gz	KSCXWNMZAFKSTQ-UHFFFAOYSA-N	-2	0	370.314	2.247	20	10		FECDRL
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775285986	681291665	/nfs/dbraw/zinc/29/16/65/681291665.db2.gz	IEUYVIHXTMERLL-UHFFFAOYSA-N	-2	0	354.388	2.495	20	10		FECDRL
COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000795331646	683040588	/nfs/dbraw/zinc/04/05/88/683040588.db2.gz	HTQRSIBSDKTVPV-UHFFFAOYSA-N	-2	0	367.379	2.046	20	10		FECDRL
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cnn(CC(F)F)c1	ZINC000808113749	674441749	/nfs/dbraw/zinc/44/17/49/674441749.db2.gz	INAOQBOQMZNEPB-UHFFFAOYSA-N	-2	0	355.725	2.447	20	10		FECDRL
O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc21	ZINC000832079522	604750322	/nfs/dbraw/zinc/75/03/22/604750322.db2.gz	KIBNJHVMHBZACB-UHFFFAOYSA-N	-2	0	360.351	2.064	20	10		FECDRL
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2cccc(Br)c2[O-])CCO1	ZINC000833820507	605679061	/nfs/dbraw/zinc/67/90/61/605679061.db2.gz	RVCHMZSEIZNTDK-JOYOIKCWSA-N	-2	0	359.220	2.012	20	10		FECDRL
COCn1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1C	ZINC000818055667	675193802	/nfs/dbraw/zinc/19/38/02/675193802.db2.gz	ZSUPGKXCKMAEQG-UHFFFAOYSA-N	-2	0	363.798	2.403	20	10		FECDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)ccc1[O-]	ZINC000775286435	681292520	/nfs/dbraw/zinc/29/25/20/681292520.db2.gz	RKXAAUVZERASCG-UHFFFAOYSA-N	-2	0	374.787	2.464	20	10		FECDRL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000775289601	681293396	/nfs/dbraw/zinc/29/33/96/681293396.db2.gz	XTSWAZGMKGCBKN-UHFFFAOYSA-N	-2	0	366.351	2.362	20	10		FECDRL
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776434946	681391555	/nfs/dbraw/zinc/39/15/55/681391555.db2.gz	SAJQAXZXXXYEPL-UHFFFAOYSA-N	-2	0	367.427	2.361	20	10		FECDRL
COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1NC(=O)[O-]	ZINC000829484888	604745845	/nfs/dbraw/zinc/74/58/45/604745845.db2.gz	XBNLRLUFYPFKBE-UHFFFAOYSA-N	-2	0	364.339	2.122	20	10		FECDRL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000833669545	605525168	/nfs/dbraw/zinc/52/51/68/605525168.db2.gz	HATNOIVMCZNNKL-UHFFFAOYSA-N	-2	0	365.363	2.152	20	10		FECDRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000775288523	681292977	/nfs/dbraw/zinc/29/29/77/681292977.db2.gz	PDMLJCLCIYAUHV-UHFFFAOYSA-N	-2	0	352.324	2.108	20	10		FECDRL
O=S(=O)([N-]c1ccn(C2CCOCC2)n1)c1cc(F)cc(F)c1[O-]	ZINC000872376845	684942400	/nfs/dbraw/zinc/94/24/00/684942400.db2.gz	NRKCRXAREBYMAR-UHFFFAOYSA-N	-2	0	359.354	2.019	20	10		FECDRL
O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000833297499	602201323	/nfs/dbraw/zinc/20/13/23/602201323.db2.gz	ITDOMLLQSAZZDV-UHFFFAOYSA-N	-2	0	353.743	2.375	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cncc(Br)c2)ccc1O	ZINC000044242852	670188199	/nfs/dbraw/zinc/18/81/99/670188199.db2.gz	NCGICPRWWSPFHF-UHFFFAOYSA-N	-2	0	373.184	2.049	20	10		FECDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1[O-]	ZINC000775286276	681291808	/nfs/dbraw/zinc/29/18/08/681291808.db2.gz	LIGRNUPTVSXKBH-UHFFFAOYSA-N	-2	0	357.275	2.149	20	10		FECDRL
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000783837859	682180560	/nfs/dbraw/zinc/18/05/60/682180560.db2.gz	QIZRHYARIGKDPO-UHFFFAOYSA-N	-2	0	367.427	2.361	20	10		FECDRL
CN(C)c1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])n1	ZINC000758289013	680568214	/nfs/dbraw/zinc/56/82/14/680568214.db2.gz	GHCIZYNVBUBPLQ-UHFFFAOYSA-N	-2	0	366.424	2.371	20	10		FECDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000758773986	680606822	/nfs/dbraw/zinc/60/68/22/680606822.db2.gz	KUVIJWVKLDEKHB-UHFFFAOYSA-N	-2	0	355.393	2.464	20	10		FECDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000766049168	680864362	/nfs/dbraw/zinc/86/43/62/680864362.db2.gz	ZWKSUZJAAJFGQV-UHFFFAOYSA-N	-2	0	365.363	2.108	20	10		FECDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000766048780	680864487	/nfs/dbraw/zinc/86/44/87/680864487.db2.gz	WDUWMXIEASQRPL-UHFFFAOYSA-N	-2	0	353.327	2.233	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c32)ccc1O	ZINC000776434664	681391544	/nfs/dbraw/zinc/39/15/44/681391544.db2.gz	IXKGJBXLBKCWDG-UHFFFAOYSA-N	-2	0	367.770	2.421	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)ccc1O	ZINC000795334934	683041034	/nfs/dbraw/zinc/04/10/34/683041034.db2.gz	WHVPDKSWOGVMKE-UHFFFAOYSA-N	-2	0	365.260	2.448	20	10		FECDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)n2)cn1	ZINC000833041280	600984993	/nfs/dbraw/zinc/98/49/93/600984993.db2.gz	PLHNIDTXTCXSHW-UHFFFAOYSA-N	-2	0	370.437	2.104	20	10		FECDRL
C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2cccc(Br)c2[O-])CCO1	ZINC000833820508	605679028	/nfs/dbraw/zinc/67/90/28/605679028.db2.gz	RVCHMZSEIZNTDK-SKDRFNHKSA-N	-2	0	359.220	2.012	20	10		FECDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000779458083	681718091	/nfs/dbraw/zinc/71/80/91/681718091.db2.gz	FRQHKVKAXOBHSN-UHFFFAOYSA-N	-2	0	371.392	2.048	20	10		FECDRL
COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000785486704	682302313	/nfs/dbraw/zinc/30/23/13/682302313.db2.gz	LCBRTYSJCPEPEE-UHFFFAOYSA-N	-2	0	371.392	2.048	20	10		FECDRL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000794873967	683001021	/nfs/dbraw/zinc/00/10/21/683001021.db2.gz	VPQCIJOORZWYME-UHFFFAOYSA-N	-2	0	369.311	2.018	20	10		FECDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n2)cn1	ZINC000833041785	600984713	/nfs/dbraw/zinc/98/47/13/600984713.db2.gz	WCBSALNMBDDPAD-UHFFFAOYSA-N	-2	0	364.408	2.043	20	10		FECDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1C	ZINC000751189592	601862272	/nfs/dbraw/zinc/86/22/72/601862272.db2.gz	NMNAYOMGZLUNCG-UHFFFAOYSA-N	-2	0	365.363	2.206	20	10		FECDRL
O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1cccc2nonc21	ZINC000832079558	604754055	/nfs/dbraw/zinc/75/40/55/604754055.db2.gz	LZPPHWRGKCTMAX-UHFFFAOYSA-N	-2	0	360.351	2.064	20	10		FECDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1[O-]	ZINC000133746272	672114850	/nfs/dbraw/zinc/11/48/50/672114850.db2.gz	AJYGLSMUMOWFCV-UHFFFAOYSA-N	-2	0	360.351	2.287	20	10		FECDRL
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753018757	680271172	/nfs/dbraw/zinc/27/11/72/680271172.db2.gz	OLQAKCAWTMLNBL-UHFFFAOYSA-N	-2	0	360.294	2.388	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21	ZINC000776432782	681391044	/nfs/dbraw/zinc/39/10/44/681391044.db2.gz	CZPFDOKOSLTUJA-UHFFFAOYSA-N	-2	0	373.799	2.254	20	10		FECDRL
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)s1	ZINC000808115609	674442022	/nfs/dbraw/zinc/44/20/22/674442022.db2.gz	KYQOUMOHEKCJKF-UHFFFAOYSA-N	-2	0	365.795	2.400	20	10		FECDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)c[nH]1	ZINC000833306392	600976078	/nfs/dbraw/zinc/97/60/78/600976078.db2.gz	PYDOCBGZLDENPI-UHFFFAOYSA-N	-2	0	350.381	2.032	20	10		FECDRL
C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2cccc(Br)c2[O-])CCO1	ZINC000833820506	605679181	/nfs/dbraw/zinc/67/91/81/605679181.db2.gz	RVCHMZSEIZNTDK-CABZTGNLSA-N	-2	0	359.220	2.012	20	10		FECDRL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765039031	680828225	/nfs/dbraw/zinc/82/82/25/680828225.db2.gz	ONTNHODQPWTPPZ-UHFFFAOYSA-N	-2	0	365.392	2.444	20	10		FECDRL
CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F)C1CCOCC1	ZINC000842586277	680953531	/nfs/dbraw/zinc/95/35/31/680953531.db2.gz	OXSQAHMWESIZEF-CQSZACIVSA-N	-2	0	367.826	2.368	20	10		FECDRL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000775286577	681292491	/nfs/dbraw/zinc/29/24/91/681292491.db2.gz	YEMNJQNADSKBCM-UHFFFAOYSA-N	-2	0	369.311	2.018	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1O	ZINC000782259104	682021893	/nfs/dbraw/zinc/02/18/93/682021893.db2.gz	MYSPFSMJAYQPKR-UHFFFAOYSA-N	-2	0	362.285	2.305	20	10		FECDRL
COc1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1C(=O)[O-]	ZINC000392646318	558618215	/nfs/dbraw/zinc/61/82/15/558618215.db2.gz	FVFJPIJBUKJIJS-UHFFFAOYSA-N	-2	0	365.392	2.199	20	10		FECDRL
O=S(=O)([N-]c1cnn(Cc2ccncc2)c1)c1cc(F)cc(F)c1[O-]	ZINC000821169468	675419866	/nfs/dbraw/zinc/41/98/66/675419866.db2.gz	XKDUHOGEEXNZAE-UHFFFAOYSA-N	-2	0	366.349	2.111	20	10		FECDRL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000757654107	680530462	/nfs/dbraw/zinc/53/04/62/680530462.db2.gz	FHYJXSIXZSTVMU-UHFFFAOYSA-N	-2	0	369.326	2.037	20	10		FECDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(Cl)c1	ZINC000775286365	681292618	/nfs/dbraw/zinc/29/26/18/681292618.db2.gz	QWQMIUPCFVGVHT-UHFFFAOYSA-N	-3	0	372.742	2.453	20	10		FECDRL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000790416120	682675177	/nfs/dbraw/zinc/67/51/77/682675177.db2.gz	RCMRBWUZFDPTJE-UHFFFAOYSA-N	-2	0	351.380	2.468	20	10		FECDRL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000226860747	548749861	/nfs/dbraw/zinc/74/98/61/548749861.db2.gz	PZWNYOTYIIBQST-UHFFFAOYSA-N	-3	0	371.754	2.243	20	10		FECDRL
O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000758147444	680557269	/nfs/dbraw/zinc/55/72/69/680557269.db2.gz	ABSSNXUKJGUHIX-UHFFFAOYSA-N	-2	0	353.743	2.375	20	10		FECDRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C)c1	ZINC000771220511	681047418	/nfs/dbraw/zinc/04/74/18/681047418.db2.gz	XJDZEDAVHNJGND-UHFFFAOYSA-N	-2	0	351.380	2.137	20	10		FECDRL
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(Cl)c1	ZINC000768503901	601862442	/nfs/dbraw/zinc/86/24/42/601862442.db2.gz	LNPKTCGGVMHXCW-UHFFFAOYSA-N	-2	0	371.754	2.243	20	10		FECDRL
COC1(CS(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)CCOCC1	ZINC000844664013	681072817	/nfs/dbraw/zinc/07/28/17/681072817.db2.gz	OXBOQCUYSSJXGF-UHFFFAOYSA-N	-2	0	353.799	2.122	20	10		FECDRL
Cc1cc(C)c(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000775288497	681293042	/nfs/dbraw/zinc/29/30/42/681293042.db2.gz	NIGNHPGIZSSYET-UHFFFAOYSA-N	-2	0	366.351	2.416	20	10		FECDRL
COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775289580	681293655	/nfs/dbraw/zinc/29/36/55/681293655.db2.gz	WVDSOMLTXUDTNF-UHFFFAOYSA-N	-2	0	366.351	2.196	20	10		FECDRL
Cc1sc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000776435220	681391725	/nfs/dbraw/zinc/39/17/25/681391725.db2.gz	ZADPNXNCONLXGN-UHFFFAOYSA-N	-2	0	358.353	2.169	20	10		FECDRL
O=C([O-])CCCN1C(=O)/C(=C/c2cccc(C(=O)[O-])c2)SC1=S	ZINC000203063332	598200755	/nfs/dbraw/zinc/20/07/55/598200755.db2.gz	BMJUHYUHGXBOJR-FLIBITNWSA-N	-2	0	351.405	2.451	20	10		FECDRL
Cc1noc(C)c1S(=O)(=O)[N-]c1nc(-c2c[nH]c(C(=O)[O-])c2)cs1	ZINC000738944919	600055241	/nfs/dbraw/zinc/05/52/41/600055241.db2.gz	OOBKXIKXNVQXCW-UHFFFAOYSA-N	-2	0	368.396	2.242	20	10		FECDRL
O=C1OCCN1c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753015145	680270776	/nfs/dbraw/zinc/27/07/76/680270776.db2.gz	LDNMXUNJKZIWJJ-UHFFFAOYSA-N	-2	0	370.333	2.428	20	10		FECDRL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)ccc1O	ZINC000797819353	683275822	/nfs/dbraw/zinc/27/58/22/683275822.db2.gz	GWYMGRUKLWHIFY-UHFFFAOYSA-N	-2	0	355.343	2.347	20	10		FECDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286337	681292441	/nfs/dbraw/zinc/29/24/41/681292441.db2.gz	PIINRXFGFQRTRF-UHFFFAOYSA-N	-2	0	352.324	2.108	20	10		FECDRL
Cc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000775288474	681292930	/nfs/dbraw/zinc/29/29/30/681292930.db2.gz	MKXDHDGKMYDEAO-UHFFFAOYSA-N	-2	0	352.324	2.108	20	10		FECDRL
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776433039	681391018	/nfs/dbraw/zinc/39/10/18/681391018.db2.gz	KEBRRBJXICQCOB-UHFFFAOYSA-N	-2	0	353.400	2.285	20	10		FECDRL
O=C([O-])CN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2Cl)SC1=S	ZINC000783683668	682167041	/nfs/dbraw/zinc/16/70/41/682167041.db2.gz	LUXIJIXAWJYRDJ-RUDMXATFSA-N	-2	0	357.796	2.324	20	10		FECDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000790409721	682674499	/nfs/dbraw/zinc/67/44/99/682674499.db2.gz	VYOAVPRBXXWTMX-UHFFFAOYSA-N	-2	0	355.343	2.429	20	10		FECDRL
CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c([N+](=O)[O-])n1	ZINC000808114689	674441995	/nfs/dbraw/zinc/44/19/95/674441995.db2.gz	FDENWSYOXGHCRV-UHFFFAOYSA-N	-2	0	364.742	2.110	20	10		FECDRL
O=C([O-])c1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c[nH]1	ZINC000833325630	601792773	/nfs/dbraw/zinc/79/27/73/601792773.db2.gz	SUOLUZBPKKWXNC-YHYXMXQVSA-N	-2	0	351.318	2.065	20	10		FECDRL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000325113519	673048733	/nfs/dbraw/zinc/04/87/33/673048733.db2.gz	JDBNKOKWKFHVSB-UHFFFAOYSA-N	-2	0	352.324	2.108	20	10		FECDRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000758775446	680606716	/nfs/dbraw/zinc/60/67/16/680606716.db2.gz	WWBSYWKXYLBTDU-UHFFFAOYSA-N	-2	0	365.363	2.102	20	10		FECDRL
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000775286493	681292424	/nfs/dbraw/zinc/29/24/24/681292424.db2.gz	URXFIQLWCKNBSW-UHFFFAOYSA-N	-2	0	372.742	2.453	20	10		FECDRL
COc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cnc1Cl	ZINC000775286498	681292641	/nfs/dbraw/zinc/29/26/41/681292641.db2.gz	UUFVSAHPHSPXGD-UHFFFAOYSA-N	-2	0	359.747	2.158	20	10		FECDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000790409036	682674412	/nfs/dbraw/zinc/67/44/12/682674412.db2.gz	LEPHQNYREYONDA-UHFFFAOYSA-N	-2	0	355.343	2.429	20	10		FECDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)n2)cn1	ZINC000833040831	600984558	/nfs/dbraw/zinc/98/45/58/600984558.db2.gz	JXNWWCLPTZBJKC-UHFFFAOYSA-N	-2	0	370.437	2.104	20	10		FECDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc(-c2ccco2)cs1	ZINC000833346496	601767763	/nfs/dbraw/zinc/76/77/63/601767763.db2.gz	QJDCJCMOISOJRR-UHFFFAOYSA-N	-2	0	357.394	2.359	20	10		FECDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000766047745	680864136	/nfs/dbraw/zinc/86/41/36/680864136.db2.gz	RTBRHLFQRWQGRR-UHFFFAOYSA-N	-2	0	353.327	2.233	20	10		FECDRL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1F	ZINC000775286331	681292579	/nfs/dbraw/zinc/29/25/79/681292579.db2.gz	OYJLDGCTHMKUFK-UHFFFAOYSA-N	-2	0	371.302	2.457	20	10		FECDRL
COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753014710	680270932	/nfs/dbraw/zinc/27/09/32/680270932.db2.gz	CRASIDKAPJZBAW-UHFFFAOYSA-N	-2	0	372.349	2.438	20	10		FECDRL
O=C([O-])c1cc(-c2csc([N-]S(=O)(=O)c3cncc(F)c3)n2)c[nH]1	ZINC000740068226	600055227	/nfs/dbraw/zinc/05/52/27/600055227.db2.gz	BMTKLUYYGHKICC-UHFFFAOYSA-N	-2	0	368.371	2.171	20	10		FECDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1C	ZINC000765094997	680830942	/nfs/dbraw/zinc/83/09/42/680830942.db2.gz	INAHLRCXAWNBPN-UHFFFAOYSA-N	-2	0	366.351	2.416	20	10		FECDRL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775287986	681293002	/nfs/dbraw/zinc/29/30/02/681293002.db2.gz	GZZSIXKDTDAUMH-UHFFFAOYSA-N	-3	0	370.314	2.247	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1	ZINC000776435216	681391503	/nfs/dbraw/zinc/39/15/03/681391503.db2.gz	YWTRCKNWJPJMCQ-UHFFFAOYSA-N	-2	0	362.285	2.305	20	10		FECDRL
O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1	ZINC000776748956	681433192	/nfs/dbraw/zinc/43/31/92/681433192.db2.gz	RSGAYCWWTQCSEK-UHFFFAOYSA-N	-2	0	371.754	2.243	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F	ZINC000806632167	674384326	/nfs/dbraw/zinc/38/43/26/674384326.db2.gz	FLNAJBAXTCATBT-UHFFFAOYSA-N	-2	0	362.285	2.305	20	10		FECDRL
Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)ccc1O	ZINC000826271086	609530407	/nfs/dbraw/zinc/53/04/07/609530407.db2.gz	BQBNEFXWZYRBHR-UHFFFAOYSA-N	-2	0	365.802	2.335	20	10		FECDRL
O=S(=O)([N-]c1cnn(CC(F)(F)F)c1)c1cc(F)cc(F)c1[O-]	ZINC000821178099	675420214	/nfs/dbraw/zinc/42/02/14/675420214.db2.gz	OVDLTDITRKBSQZ-UHFFFAOYSA-N	-2	0	357.260	2.230	20	10		FECDRL
CCc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000753523618	680302337	/nfs/dbraw/zinc/30/23/37/680302337.db2.gz	ZKXFQVHAUCKIMU-UHFFFAOYSA-N	-2	0	366.351	2.362	20	10		FECDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)n2)cn1	ZINC000833041431	600984849	/nfs/dbraw/zinc/98/48/49/600984849.db2.gz	SVUPWUAUJMRWRA-UHFFFAOYSA-N	-2	0	370.437	2.104	20	10		FECDRL
O=S(=O)([N-]c1ccn(Cc2ccncc2)n1)c1cc(F)cc(F)c1[O-]	ZINC000753014025	680270950	/nfs/dbraw/zinc/27/09/50/680270950.db2.gz	DKCOODWNNPOTQS-UHFFFAOYSA-N	-2	0	366.349	2.111	20	10		FECDRL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775285800	681291702	/nfs/dbraw/zinc/29/17/02/681291702.db2.gz	CLHCNWUHVLQUGE-UHFFFAOYSA-N	-3	0	358.353	2.169	20	10		FECDRL
COc1cc(F)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1OC	ZINC000775285834	681291946	/nfs/dbraw/zinc/29/19/46/681291946.db2.gz	FFTQBXTYVNGIBG-UHFFFAOYSA-N	-2	0	372.330	2.258	20	10		FECDRL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)ccc1O	ZINC000797819285	683275790	/nfs/dbraw/zinc/27/57/90/683275790.db2.gz	DDKZGDHKDZVRQS-UHFFFAOYSA-N	-2	0	355.343	2.347	20	10		FECDRL
O=C([O-])NCc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000740002007	600303723	/nfs/dbraw/zinc/30/37/23/600303723.db2.gz	UQMCIMIQDVVVCA-UHFFFAOYSA-N	-2	0	364.408	2.260	20	10		FECDRL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1C	ZINC000326462830	673053471	/nfs/dbraw/zinc/05/34/71/673053471.db2.gz	GUYWDUUMXXTBLB-UHFFFAOYSA-N	-2	0	366.351	2.416	20	10		FECDRL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(F)cc1[N+](=O)[O-]	ZINC000821197452	675421075	/nfs/dbraw/zinc/42/10/75/675421075.db2.gz	AXXUPRCOVSJVHL-UHFFFAOYSA-N	-2	0	371.302	2.457	20	10		FECDRL
C[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1)C(=O)[O-]	ZINC000758169315	680559169	/nfs/dbraw/zinc/55/91/69/680559169.db2.gz	IULODXPDGUDTSD-SNVBAGLBSA-N	-2	0	361.379	2.287	20	10		FECDRL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286527	681292594	/nfs/dbraw/zinc/29/25/94/681292594.db2.gz	VORNJGAMRGUUEE-UHFFFAOYSA-N	-2	0	353.312	2.318	20	10		FECDRL
Cc1cc(F)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000775289114	681292900	/nfs/dbraw/zinc/29/29/00/681292900.db2.gz	RIWMZMGVEYHJOB-UHFFFAOYSA-N	-3	0	370.314	2.247	20	10		FECDRL
O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000798410153	683343791	/nfs/dbraw/zinc/34/37/91/683343791.db2.gz	NKQXUFLXHNAMNU-UHFFFAOYSA-N	-2	0	361.379	2.431	20	10		FECDRL
CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821144603	675418259	/nfs/dbraw/zinc/41/82/59/675418259.db2.gz	HVPZZBRYBGWTRC-UHFFFAOYSA-N	-2	0	356.350	2.173	20	10		FECDRL
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1Cl	ZINC000757658402	680530807	/nfs/dbraw/zinc/53/08/07/680530807.db2.gz	ZVVGRHFWOJMPOY-UHFFFAOYSA-N	-2	0	371.754	2.243	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21	ZINC000776433089	681391108	/nfs/dbraw/zinc/39/11/08/681391108.db2.gz	NEVZYZXNTPXZQY-UHFFFAOYSA-N	-2	0	367.770	2.192	20	10		FECDRL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1[N+](=O)[O-]	ZINC000790607583	682687487	/nfs/dbraw/zinc/68/74/87/682687487.db2.gz	XUSUXKAOBKNHLB-UHFFFAOYSA-N	-2	0	366.351	2.416	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F	ZINC000790606560	682687580	/nfs/dbraw/zinc/68/75/80/682687580.db2.gz	KKTQNTOXZCMLPM-UHFFFAOYSA-N	-2	0	362.285	2.305	20	10		FECDRL
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000013343526	670006054	/nfs/dbraw/zinc/00/60/54/670006054.db2.gz	YBFQASPKTIDUGC-DHZHZOJOSA-N	-2	0	351.405	2.451	20	10		FECDRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000740705903	673651238	/nfs/dbraw/zinc/65/12/38/673651238.db2.gz	PDXQDXOPUXKDSC-UHFFFAOYSA-N	-2	0	351.380	2.137	20	10		FECDRL
C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cn21	ZINC000841677593	680905874	/nfs/dbraw/zinc/90/58/74/680905874.db2.gz	UOMRCTYJFRZCSZ-SECBINFHSA-N	-2	0	352.372	2.195	20	10		FECDRL
CCc1nc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cn1CC1CC1	ZINC000853025391	682365311	/nfs/dbraw/zinc/36/53/11/682365311.db2.gz	QTESWOANHWTRLN-UHFFFAOYSA-N	-2	0	365.411	2.060	20	10		FECDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)o1	ZINC000740187444	599802919	/nfs/dbraw/zinc/80/29/19/599802919.db2.gz	LADLKNZEKBWFCH-UHFFFAOYSA-N	-2	0	351.365	2.297	20	10		FECDRL
Cc1[nH]nc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c1C(=O)[O-]	ZINC000738334904	600422520	/nfs/dbraw/zinc/42/25/20/600422520.db2.gz	HGMGAKBQXWQNOL-UHFFFAOYSA-N	-2	0	364.408	2.341	20	10		FECDRL
COc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1NC(=O)[O-]	ZINC000829198360	604748262	/nfs/dbraw/zinc/74/82/62/604748262.db2.gz	UMJKOMZJOFGUAN-UHFFFAOYSA-N	-2	0	364.339	2.122	20	10		FECDRL
O=C([O-])C1CN(Cc2cc(Br)cc(Br)c2[O-])C1	ZINC000840998946	680859237	/nfs/dbraw/zinc/85/92/37/680859237.db2.gz	GKNWLJMVDCLOOD-UHFFFAOYSA-N	-2	0	365.021	2.434	20	10		FECDRL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000753519824	680302000	/nfs/dbraw/zinc/30/20/00/680302000.db2.gz	BWUIGZAVNWNKJS-UHFFFAOYSA-N	-2	0	370.314	2.027	20	10		FECDRL
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C)c1C(=O)[O-]	ZINC000753779531	680314412	/nfs/dbraw/zinc/31/44/12/680314412.db2.gz	LLPZCJLOZBCZKL-UHFFFAOYSA-N	-2	0	365.363	2.206	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1Cl	ZINC000765061567	602195068	/nfs/dbraw/zinc/19/50/68/602195068.db2.gz	XHEZBACHPZESMQ-UHFFFAOYSA-N	-2	0	353.743	2.375	20	10		FECDRL
O=C([O-])CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])c([O-])c2)SC1=S	ZINC000207399418	672788780	/nfs/dbraw/zinc/78/87/80/672788780.db2.gz	XFGORDNADJIWNU-YRNVUSSQSA-N	-2	0	368.392	2.366	20	10		FECDRL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000321308745	673040379	/nfs/dbraw/zinc/04/03/79/673040379.db2.gz	QPCZWEWCVMZWIV-UHFFFAOYSA-N	-2	0	352.755	2.416	20	10		FECDRL
COc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1OC	ZINC000326790351	673055315	/nfs/dbraw/zinc/05/53/15/673055315.db2.gz	XAFZPONAIFXNKK-UHFFFAOYSA-N	-2	0	371.342	2.048	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)ccc1O	ZINC000757658346	680530763	/nfs/dbraw/zinc/53/07/63/680530763.db2.gz	YYZTZKPCPRSARH-UHFFFAOYSA-N	-2	0	359.306	2.493	20	10		FECDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1C	ZINC000776433418	681391521	/nfs/dbraw/zinc/39/15/21/681391521.db2.gz	UONBHPBJGFBKTG-UHFFFAOYSA-N	-2	0	366.351	2.416	20	10		FECDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000766048288	680864445	/nfs/dbraw/zinc/86/44/45/680864445.db2.gz	QWMPGTGBOUSXKI-UHFFFAOYSA-N	-2	0	353.327	2.233	20	10		FECDRL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(F)c1	ZINC000775285773	681291724	/nfs/dbraw/zinc/29/17/24/681291724.db2.gz	BJKMSYRIMWPJCH-UHFFFAOYSA-N	-2	0	369.330	2.199	20	10		FECDRL
COCCCn1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])n1	ZINC000872374024	684941901	/nfs/dbraw/zinc/94/19/01/684941901.db2.gz	UQHSQEZVIZBFNX-UHFFFAOYSA-N	-2	0	361.370	2.013	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000044243111	670188306	/nfs/dbraw/zinc/18/83/06/670188306.db2.gz	MFXJBQJPDBEHJE-UHFFFAOYSA-N	-2	0	373.184	2.049	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000324586810	673046541	/nfs/dbraw/zinc/04/65/41/673046541.db2.gz	HOJLMBQYYZSKDB-UHFFFAOYSA-N	-2	0	372.742	2.453	20	10		FECDRL
C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1)C(=O)[O-]	ZINC000758169312	680559192	/nfs/dbraw/zinc/55/91/92/680559192.db2.gz	IULODXPDGUDTSD-JTQLQIEISA-N	-2	0	361.379	2.287	20	10		FECDRL
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000738578338	600461581	/nfs/dbraw/zinc/46/15/81/600461581.db2.gz	DIRKQGBCHJJTIN-UHFFFAOYSA-N	-2	0	370.452	2.080	20	10		FECDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc(-c2cccnc2)cs1	ZINC000833345601	601767784	/nfs/dbraw/zinc/76/77/84/601767784.db2.gz	DXECEJYQYLAORL-UHFFFAOYSA-N	-2	0	368.421	2.161	20	10		FECDRL
Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000757654018	680530466	/nfs/dbraw/zinc/53/04/66/680530466.db2.gz	FFLSYGJRRBMAEQ-UHFFFAOYSA-N	-2	0	370.314	2.247	20	10		FECDRL
Cc1cc(F)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000775285967	681291913	/nfs/dbraw/zinc/29/19/13/681291913.db2.gz	GZLPFARDLXNKMX-UHFFFAOYSA-N	-2	0	371.302	2.457	20	10		FECDRL
O=C([O-])c1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc(F)c1F	ZINC000775286509	681292291	/nfs/dbraw/zinc/29/22/91/681292291.db2.gz	VEAVLICHENSTGK-UHFFFAOYSA-N	-2	0	374.277	2.078	20	10		FECDRL
O=C(NOCC1CC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000293691633	552847726	/nfs/dbraw/zinc/84/77/26/552847726.db2.gz	CGWHNWLASXLJMA-UHFFFAOYSA-N	-2	0	368.436	2.326	20	10		FECDRL
O=C([O-])CN1C(=O)/C(=C\c2cccc3c2N(C(=O)[O-])CC3)SC1=S	ZINC000831815521	603810487	/nfs/dbraw/zinc/81/04/87/603810487.db2.gz	LFQYZEGFBKKRSK-UXBLZVDNSA-N	-2	0	364.404	2.013	20	10		FECDRL
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000751191371	680159199	/nfs/dbraw/zinc/15/91/99/680159199.db2.gz	YHDKPBSNIVLHBQ-UHFFFAOYSA-N	-2	0	365.363	2.206	20	10		FECDRL
Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000753781204	680314192	/nfs/dbraw/zinc/31/41/92/680314192.db2.gz	WNKMRBYIXYOJKK-UHFFFAOYSA-N	-3	0	369.326	2.037	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1O	ZINC000757653993	680530367	/nfs/dbraw/zinc/53/03/67/680530367.db2.gz	FTCDILBWTDZSOC-UHFFFAOYSA-N	-2	0	372.742	2.453	20	10		FECDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1[O-]	ZINC000775289098	681293110	/nfs/dbraw/zinc/29/31/10/681293110.db2.gz	QPGKRPWVULHPEU-UHFFFAOYSA-N	-2	0	352.353	2.106	20	10		FECDRL
Cc1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1C(=O)[O-]	ZINC000795349023	683042682	/nfs/dbraw/zinc/04/26/82/683042682.db2.gz	SHQLBSDLSYJFAS-UHFFFAOYSA-N	-2	0	352.324	2.108	20	10		FECDRL
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000006221111	219720309	/nfs/dbraw/zinc/72/03/09/219720309.db2.gz	YBFQASPKTIDUGC-FLIBITNWSA-N	-2	0	351.405	2.451	20	10		FECDRL
C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000825448684	604752281	/nfs/dbraw/zinc/75/22/81/604752281.db2.gz	HMGMRBKOHJVACX-SECBINFHSA-N	-2	0	362.367	2.352	20	10		FECDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1F	ZINC000775285961	681291867	/nfs/dbraw/zinc/29/18/67/681291867.db2.gz	GMIXHMGNZKLZIV-UHFFFAOYSA-N	-3	0	370.314	2.247	20	10		FECDRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC000773251076	681133125	/nfs/dbraw/zinc/13/31/25/681133125.db2.gz	IPXSONPAGQTVFF-UHFFFAOYSA-N	-2	0	370.314	2.027	20	10		FECDRL
O=C([O-])CCCN1C(=O)/C(=C/c2cc(C(=O)[O-])ccc2O)SC1=S	ZINC000203050930	599935778	/nfs/dbraw/zinc/93/57/78/599935778.db2.gz	UCGORRGGHNSBTL-XFFZJAGNSA-N	-2	0	367.404	2.156	20	10		FECDRL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775289592	681293538	/nfs/dbraw/zinc/29/35/38/681293538.db2.gz	XECMZCJCZISYKE-UHFFFAOYSA-N	-2	0	369.311	2.018	20	10		FECDRL
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000792702750	682828906	/nfs/dbraw/zinc/82/89/06/682828906.db2.gz	FRTVAVNLHLWUHL-UHFFFAOYSA-N	-2	0	355.393	2.319	20	10		FECDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000766047643	680864192	/nfs/dbraw/zinc/86/41/92/680864192.db2.gz	OTNMSEWMMZVBKJ-UHFFFAOYSA-N	-2	0	371.317	2.372	20	10		FECDRL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000753523342	680302356	/nfs/dbraw/zinc/30/23/56/680302356.db2.gz	XGIJGCZKHCUKOC-UHFFFAOYSA-N	-2	0	370.314	2.027	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)ccc1O	ZINC000757656408	680530269	/nfs/dbraw/zinc/53/02/69/680530269.db2.gz	PCGORUIKSOYHTJ-UHFFFAOYSA-N	-2	0	373.799	2.254	20	10		FECDRL
COCc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])n1	ZINC000758282562	680567815	/nfs/dbraw/zinc/56/78/15/680567815.db2.gz	HEFFJTVYBYFKRH-UHFFFAOYSA-N	-2	0	367.408	2.451	20	10		FECDRL
C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cn21	ZINC000841677595	680905918	/nfs/dbraw/zinc/90/59/18/680905918.db2.gz	UOMRCTYJFRZCSZ-VIFPVBQESA-N	-2	0	352.372	2.195	20	10		FECDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1[O-]	ZINC000775286551	681292339	/nfs/dbraw/zinc/29/23/39/681292339.db2.gz	WUCVWOPPKVPCPF-UHFFFAOYSA-N	-2	0	357.275	2.149	20	10		FECDRL
O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])ccc1O	ZINC000833300787	601863595	/nfs/dbraw/zinc/86/35/95/601863595.db2.gz	KVDUGPGCJQDLQL-UHFFFAOYSA-N	-2	0	371.754	2.243	20	10		FECDRL
COc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(F)c1	ZINC000757655717	680530476	/nfs/dbraw/zinc/53/04/76/680530476.db2.gz	LGPNUXURTJQBBL-UHFFFAOYSA-N	-2	0	359.306	2.178	20	10		FECDRL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)sc1C(=O)[O-]	ZINC000775286320	681292324	/nfs/dbraw/zinc/29/23/24/681292324.db2.gz	OILXFUQRSNWGHM-UHFFFAOYSA-N	-3	0	358.353	2.169	20	10		FECDRL
O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775288062	681292921	/nfs/dbraw/zinc/29/29/21/681292921.db2.gz	IQNOJMPPEFNINI-UHFFFAOYSA-N	-2	0	366.351	2.118	20	10		FECDRL
CCc1nc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cn1CC1CC1	ZINC000853027526	682365332	/nfs/dbraw/zinc/36/53/32/682365332.db2.gz	UUMCPYBCLZMOCP-UHFFFAOYSA-N	-2	0	366.399	2.270	20	10		FECDRL
C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2cccc(Br)c2[O-])CCO1	ZINC000833820505	605679242	/nfs/dbraw/zinc/67/92/42/605679242.db2.gz	RVCHMZSEIZNTDK-BXKDBHETSA-N	-2	0	359.220	2.012	20	10		FECDRL
O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc12	ZINC000765080568	680830272	/nfs/dbraw/zinc/83/02/72/680830272.db2.gz	UZPIQLLGIVIUDP-UHFFFAOYSA-N	-2	0	358.335	2.203	20	10		FECDRL
O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753022622	680271169	/nfs/dbraw/zinc/27/11/69/680271169.db2.gz	ZGMXKAHQROMQQR-UHFFFAOYSA-N	-2	0	355.318	2.120	20	10		FECDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000790408648	682674495	/nfs/dbraw/zinc/67/44/95/682674495.db2.gz	CVSZTSQWEVWLQH-UHFFFAOYSA-N	-2	0	355.343	2.429	20	10		FECDRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(F)c1	ZINC000794596756	682982538	/nfs/dbraw/zinc/98/25/38/682982538.db2.gz	PIDKMEHPILIZRZ-UHFFFAOYSA-N	-2	0	370.314	2.027	20	10		FECDRL
O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765080195	680830229	/nfs/dbraw/zinc/83/02/29/680830229.db2.gz	MGFZOGJKQOFJNJ-UHFFFAOYSA-N	-2	0	353.743	2.375	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Br)o1	ZINC000776434840	681391530	/nfs/dbraw/zinc/39/15/30/681391530.db2.gz	OAVQRJHEYRXDPE-UHFFFAOYSA-N	-2	0	362.157	2.247	20	10		FECDRL
O=C([O-])CCCN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000013343619	670006219	/nfs/dbraw/zinc/00/62/19/670006219.db2.gz	YIIYQCDIIMNGJT-YRNVUSSQSA-N	-2	0	368.392	2.366	20	10		FECDRL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775288085	681292971	/nfs/dbraw/zinc/29/29/71/681292971.db2.gz	JZNSJTCRYUHTAO-UHFFFAOYSA-N	-2	0	354.340	2.118	20	10		FECDRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1	ZINC000776751411	681433503	/nfs/dbraw/zinc/43/35/03/681433503.db2.gz	VCIHSNUIVGFZGZ-UHFFFAOYSA-N	-2	0	371.798	2.482	20	10		FECDRL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000793409361	682887298	/nfs/dbraw/zinc/88/72/98/682887298.db2.gz	PDAVADISDSHPGG-UHFFFAOYSA-N	-2	0	370.314	2.247	20	10		FECDRL
COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808115583	674442002	/nfs/dbraw/zinc/44/20/02/674442002.db2.gz	KDJTVGHTAWPIPV-UHFFFAOYSA-N	-2	0	366.779	2.229	20	10		FECDRL
Cn1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(C(=O)[O-])cc3)cs2)n1	ZINC000739039579	600052483	/nfs/dbraw/zinc/05/24/83/600052483.db2.gz	OVSRWIVCMQWBRE-UHFFFAOYSA-N	-2	0	364.408	2.043	20	10		FECDRL
O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000833297289	601863700	/nfs/dbraw/zinc/86/37/00/601863700.db2.gz	LHLPVWINJDIRQJ-UHFFFAOYSA-N	-2	0	371.754	2.243	20	10		FECDRL
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c(O)c1	ZINC000821178457	675420430	/nfs/dbraw/zinc/42/04/30/675420430.db2.gz	SDQJXMWRXFDJJM-UHFFFAOYSA-N	-2	0	373.333	2.354	20	10		FECDRL
COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775285842	681291852	/nfs/dbraw/zinc/29/18/52/681291852.db2.gz	FQSQUMYXIBZXKQ-UHFFFAOYSA-N	-2	0	354.340	2.118	20	10		FECDRL
Cc1sc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000775286605	681292650	/nfs/dbraw/zinc/29/26/50/681292650.db2.gz	ZOPIBBMCGBKRPD-UHFFFAOYSA-N	-2	0	359.341	2.379	20	10		FECDRL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1[N+](=O)[O-]	ZINC000790395709	682673494	/nfs/dbraw/zinc/67/34/94/682673494.db2.gz	YAIGVEKMEGRMDH-UHFFFAOYSA-N	-2	0	366.351	2.416	20	10		FECDRL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)ccc1O	ZINC000797820346	683276245	/nfs/dbraw/zinc/27/62/45/683276245.db2.gz	SMPARJCMIGXTGV-UHFFFAOYSA-N	-2	0	359.306	2.178	20	10		FECDRL
Cc1c([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cnn1C1CCOCC1	ZINC000872373045	684942086	/nfs/dbraw/zinc/94/20/86/684942086.db2.gz	XMMNRDUCWOGBMK-UHFFFAOYSA-N	-2	0	373.381	2.328	20	10		FECDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000766047007	680864190	/nfs/dbraw/zinc/86/41/90/680864190.db2.gz	ASOXGMCMXDCJAV-UHFFFAOYSA-N	-2	0	371.317	2.372	20	10		FECDRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753018123	680270757	/nfs/dbraw/zinc/27/07/57/680270757.db2.gz	STUGYOQCDUWKRY-UHFFFAOYSA-N	-3	0	359.306	2.178	20	10		FECDRL
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000912525696	685391788	/nfs/dbraw/zinc/39/17/88/685391788.db2.gz	CKZJPKODBJTVMC-UHFFFAOYSA-N	-2	0	366.182	2.010	20	10		FECDRL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775288493	681293091	/nfs/dbraw/zinc/29/30/91/681293091.db2.gz	NFHHTBHNYOXPGX-UHFFFAOYSA-N	-3	0	372.742	2.453	20	10		FECDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000790409933	682674684	/nfs/dbraw/zinc/67/46/84/682674684.db2.gz	XFALCDVUCWIDDM-UHFFFAOYSA-N	-2	0	355.343	2.429	20	10		FECDRL
CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F)C1CCOCC1	ZINC000842586276	680953688	/nfs/dbraw/zinc/95/36/88/680953688.db2.gz	OXSQAHMWESIZEF-AWEZNQCLSA-N	-2	0	367.826	2.368	20	10		FECDRL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775285794	681291680	/nfs/dbraw/zinc/29/16/80/681291680.db2.gz	CFRCUNYFCBOMFY-UHFFFAOYSA-N	-2	0	370.314	2.027	20	10		FECDRL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286462	681292356	/nfs/dbraw/zinc/29/23/56/681292356.db2.gz	SNBLVFNULPIEIY-UHFFFAOYSA-N	-2	0	370.314	2.247	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)cn2)ccc1O	ZINC000776434945	681391387	/nfs/dbraw/zinc/39/13/87/681391387.db2.gz	RZYWSHKKWPEHNM-UHFFFAOYSA-N	-2	0	373.184	2.049	20	10		FECDRL
CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000799541634	683466343	/nfs/dbraw/zinc/46/63/43/683466343.db2.gz	YLJBTWBNXSHBCZ-UHFFFAOYSA-N	-2	0	366.351	2.278	20	10		FECDRL
CC1(C)COc2c(S(=O)(=O)[N-]c3ccc([O-])c(F)c3F)cnn2C1	ZINC000901932048	690716157	/nfs/dbraw/zinc/71/61/57/690716157.db2.gz	QTHTUZJANFSWPT-UHFFFAOYSA-N	-2	0	359.354	2.086	20	10		FECDRL
O=S(=O)([N-]c1ccccc1-c1nc[nH]n1)c1cc(F)cc(F)c1[O-]	ZINC000821192795	675420853	/nfs/dbraw/zinc/42/08/53/675420853.db2.gz	XVQIYUUYTYGVOI-UHFFFAOYSA-N	-2	0	352.322	2.256	20	10		FECDRL
COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753015599	680270832	/nfs/dbraw/zinc/27/08/32/680270832.db2.gz	OGXFVHDNMLZWMZ-UHFFFAOYSA-N	-2	0	372.349	2.438	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000776433062	681391118	/nfs/dbraw/zinc/39/11/18/681391118.db2.gz	LHISAPWBNYFFAE-UHFFFAOYSA-N	-2	0	373.184	2.049	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000728149683	673194528	/nfs/dbraw/zinc/19/45/28/673194528.db2.gz	QEMCDJFTMQMHNR-UHFFFAOYSA-N	-2	0	359.363	2.077	20	10		FECDRL
CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000761994749	680737084	/nfs/dbraw/zinc/73/70/84/680737084.db2.gz	FQRCHGDMIJHTRQ-UHFFFAOYSA-N	-2	0	367.379	2.384	20	10		FECDRL
COc1cc(F)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(F)c1	ZINC000775288004	681293017	/nfs/dbraw/zinc/29/30/17/681293017.db2.gz	HLTZNAIHEZYFFQ-UHFFFAOYSA-N	-2	0	360.294	2.388	20	10		FECDRL
O=C([O-])c1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl	ZINC000775287611	681293079	/nfs/dbraw/zinc/29/30/79/681293079.db2.gz	DPUCPKQVFVGSNO-UHFFFAOYSA-N	-2	0	372.742	2.453	20	10		FECDRL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000753521020	680302070	/nfs/dbraw/zinc/30/20/70/680302070.db2.gz	IGNMHZKSXDFXQX-UHFFFAOYSA-N	-2	0	370.339	2.043	20	10		FECDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)o1	ZINC000740187439	599802646	/nfs/dbraw/zinc/80/26/46/599802646.db2.gz	KSKQCFUJHNWISU-UHFFFAOYSA-N	-2	0	351.365	2.297	20	10		FECDRL
Cn1cc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)cc1C(=O)[O-]	ZINC000833056079	600828340	/nfs/dbraw/zinc/82/83/40/600828340.db2.gz	WSDHRMVUMHGASA-UHFFFAOYSA-N	-2	0	364.408	2.043	20	10		FECDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(Cl)c1	ZINC000322108030	673041675	/nfs/dbraw/zinc/04/16/75/673041675.db2.gz	FPOSJSWPRCTLTQ-UHFFFAOYSA-N	-2	0	352.755	2.416	20	10		FECDRL
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757658360	680530548	/nfs/dbraw/zinc/53/05/48/680530548.db2.gz	ZEFWEHWTNZAMJY-UHFFFAOYSA-N	-2	0	353.400	2.285	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)o2)ccc1O	ZINC000758944378	680617121	/nfs/dbraw/zinc/61/71/21/680617121.db2.gz	FUVXUMKRMZXOPK-UHFFFAOYSA-N	-2	0	362.157	2.247	20	10		FECDRL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000790415716	682675127	/nfs/dbraw/zinc/67/51/27/682675127.db2.gz	IXPBEMDLHOMCGR-UHFFFAOYSA-N	-2	0	351.380	2.462	20	10		FECDRL
O=C([O-])CCCN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000040938506	211764462	/nfs/dbraw/zinc/76/44/62/211764462.db2.gz	YIIYQCDIIMNGJT-XFFZJAGNSA-N	-2	0	368.392	2.366	20	10		FECDRL
Cn1cc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)cc1C(=O)[O-]	ZINC000833055260	600828614	/nfs/dbraw/zinc/82/86/14/600828614.db2.gz	FFAIEPLJHYKGRK-UHFFFAOYSA-N	-2	0	364.408	2.043	20	10		FECDRL
COc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1OC	ZINC000326417138	605523406	/nfs/dbraw/zinc/52/34/06/605523406.db2.gz	RNYNPACNGITSLQ-UHFFFAOYSA-N	-2	0	371.342	2.048	20	10		FECDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1F	ZINC000757658219	680530567	/nfs/dbraw/zinc/53/05/67/680530567.db2.gz	YCBMQNPLPIOSOD-UHFFFAOYSA-N	-3	0	369.326	2.037	20	10		FECDRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000775289684	681293673	/nfs/dbraw/zinc/29/36/73/681293673.db2.gz	ZKVZAFOUKMWLNU-UHFFFAOYSA-N	-2	0	352.324	2.108	20	10		FECDRL
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286333	681292507	/nfs/dbraw/zinc/29/25/07/681292507.db2.gz	PANALCSLVWMRBR-UHFFFAOYSA-N	-2	0	370.339	2.098	20	10		FECDRL
Cc1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc(C(=O)[O-])c1F	ZINC000775287968	681293161	/nfs/dbraw/zinc/29/31/61/681293161.db2.gz	GTYRARBYGYHWOR-UHFFFAOYSA-N	-2	0	370.314	2.247	20	10		FECDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-]	ZINC000776749098	681432972	/nfs/dbraw/zinc/43/29/72/681432972.db2.gz	XLNNTQGGBWZUBK-UHFFFAOYSA-N	-3	0	372.742	2.453	20	10		FECDRL
CCc1nc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cn1CC1CC1	ZINC000853067378	682370417	/nfs/dbraw/zinc/37/04/17/682370417.db2.gz	VKYPHNDNNPDYBI-UHFFFAOYSA-N	-2	0	365.411	2.060	20	10		FECDRL
COCCn1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cn1	ZINC000273484736	550500170	/nfs/dbraw/zinc/50/01/70/550500170.db2.gz	UGWQUKYEZIEYTQ-UHFFFAOYSA-N	-2	0	366.226	2.343	20	10		FECDRL
O=C([O-])c1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c[nH]1	ZINC000833325628	601792871	/nfs/dbraw/zinc/79/28/71/601792871.db2.gz	SUOLUZBPKKWXNC-BJMVGYQFSA-N	-2	0	351.318	2.065	20	10		FECDRL
O=C([O-])Nc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1F	ZINC000833283494	602199302	/nfs/dbraw/zinc/19/93/02/602199302.db2.gz	RMPHWGVMDORXMY-UHFFFAOYSA-N	-2	0	352.303	2.253	20	10		FECDRL
CN(Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1)C(=O)[O-]	ZINC000830840425	602200573	/nfs/dbraw/zinc/20/05/73/602200573.db2.gz	MWBDDYUQODURGG-UHFFFAOYSA-N	-2	0	362.367	2.133	20	10		FECDRL
O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1cnn2c1OCCC2	ZINC000821190928	675420830	/nfs/dbraw/zinc/42/08/30/675420830.db2.gz	IIBFGVAWQGUULY-UHFFFAOYSA-N	-2	0	364.210	2.479	20	10		FECDRL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000790416715	682675292	/nfs/dbraw/zinc/67/52/92/682675292.db2.gz	BWHHQFGVHWHDOE-UHFFFAOYSA-N	-2	0	365.407	2.391	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)ccc1O	ZINC000806632816	674384555	/nfs/dbraw/zinc/38/45/55/674384555.db2.gz	SQGOTPALVGSIDU-UHFFFAOYSA-N	-2	0	362.285	2.305	20	10		FECDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)c[nH]1	ZINC000833306247	600976076	/nfs/dbraw/zinc/97/60/76/600976076.db2.gz	LGWRCZCUZBIPOW-UHFFFAOYSA-N	-2	0	350.381	2.032	20	10		FECDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000766047437	680864213	/nfs/dbraw/zinc/86/42/13/680864213.db2.gz	IQPBRZBLSCQJJO-UHFFFAOYSA-N	-2	0	355.393	2.464	20	10		FECDRL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000753780613	680314327	/nfs/dbraw/zinc/31/43/27/680314327.db2.gz	SXRHUUWGQUHJRZ-UHFFFAOYSA-N	-3	0	369.326	2.037	20	10		FECDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775288501	681293150	/nfs/dbraw/zinc/29/31/50/681293150.db2.gz	NQQQIGAAPIIKBQ-UHFFFAOYSA-N	-2	0	369.311	2.018	20	10		FECDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)ccc1[O-]	ZINC000133756715	672114797	/nfs/dbraw/zinc/11/47/97/672114797.db2.gz	TWSQGSUJFDOWLP-UHFFFAOYSA-N	-2	0	368.758	2.402	20	10		FECDRL
COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000785489461	682302732	/nfs/dbraw/zinc/30/27/32/682302732.db2.gz	YZZOFDRJQXNMKK-UHFFFAOYSA-N	-2	0	372.380	2.258	20	10		FECDRL
Cn1cnc(-c2cccc(NS(=O)(=O)c3cc(F)cc(F)c3[O-])c2)n1	ZINC000821198001	675421102	/nfs/dbraw/zinc/42/11/02/675421102.db2.gz	IXIBKPCLYHDKFX-UHFFFAOYSA-N	-2	0	366.349	2.267	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1O	ZINC000757655520	680530386	/nfs/dbraw/zinc/53/03/86/680530386.db2.gz	KNAIJOJOJSGTOD-UHFFFAOYSA-N	-2	0	359.363	2.077	20	10		FECDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000790409367	682674489	/nfs/dbraw/zinc/67/44/89/682674489.db2.gz	OMNNCRIQGNNUNL-UHFFFAOYSA-N	-2	0	367.379	2.299	20	10		FECDRL
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cnn([C@@H]2CCOC2)c1	ZINC000288110010	552093015	/nfs/dbraw/zinc/09/30/15/552093015.db2.gz	BRGBGLHYDXBJQS-MRVPVSSYSA-N	-2	0	361.782	2.143	20	10		FECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1OC(F)F	ZINC000776434958	681391411	/nfs/dbraw/zinc/39/14/11/681391411.db2.gz	SSOGAIXOOGSRBI-UHFFFAOYSA-N	-2	0	359.306	2.493	20	10		FECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)ccc1O	ZINC000785486123	682302426	/nfs/dbraw/zinc/30/24/26/682302426.db2.gz	GSLRRCQTWXLSBT-UHFFFAOYSA-N	-2	0	362.285	2.305	20	10		FECDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000790411864	682674916	/nfs/dbraw/zinc/67/49/16/682674916.db2.gz	RFZJFELWJBGTNX-UHFFFAOYSA-N	-2	0	367.379	2.304	20	10		FECDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc(-c2ccccn2)cs1	ZINC000833346984	601767645	/nfs/dbraw/zinc/76/76/45/601767645.db2.gz	YRXKSLRSEOSCIK-UHFFFAOYSA-N	-2	0	368.421	2.161	20	10		FECDRL
O=C([O-])N1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC1	ZINC000738719025	602268036	/nfs/dbraw/zinc/26/80/36/602268036.db2.gz	SHAWTIBHIMSAKT-UHFFFAOYSA-N	-2	0	356.378	2.124	20	10		FECDRL
Cc1sc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000767471025	680913051	/nfs/dbraw/zinc/91/30/51/680913051.db2.gz	PNBSARIHOHJQDD-UHFFFAOYSA-N	-2	0	358.353	2.169	20	10		FECDRL
CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000277655120	550697363	/nfs/dbraw/zinc/69/73/63/550697363.db2.gz	MGZSKGBPVDEKFT-UHFFFAOYSA-N	-2	0	354.384	2.017	20	10		FECDRL
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cnn([C@H]2CCOC2)c1	ZINC000288110013	552092915	/nfs/dbraw/zinc/09/29/15/552092915.db2.gz	BRGBGLHYDXBJQS-QMMMGPOBSA-N	-2	0	361.782	2.143	20	10		FECDRL
CC(C)OCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1O	ZINC000290457082	552481654	/nfs/dbraw/zinc/48/16/54/552481654.db2.gz	DXLDTXSRNQMFMJ-UHFFFAOYSA-N	-3	0	368.411	2.155	20	10		FECDRL
Cn1nccc1S(=O)(=O)[N-]c1nc(-c2ccc(C(=O)[O-])cc2)cs1	ZINC000739062200	600052397	/nfs/dbraw/zinc/05/23/97/600052397.db2.gz	KHNMEWWLCMVOIO-UHFFFAOYSA-N	-2	0	364.408	2.043	20	10		FECDRL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000832899226	600684256	/nfs/dbraw/zinc/68/42/56/600684256.db2.gz	KTCGOJRYBFCPQS-UHFFFAOYSA-N	-2	0	352.324	2.108	20	10		FECDRL
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000790411870	682674842	/nfs/dbraw/zinc/67/48/42/682674842.db2.gz	RYFFBPOWBDCOBO-UHFFFAOYSA-N	-2	0	365.363	2.152	20	10		FECDRL