smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCSCC(=O)[O-]	ZINC000274917566	201273314	/nfs/dbraw/zinc/27/33/14/201273314.db2.gz	AGNIMXNEOJKHAB-UHFFFAOYSA-N	-2	3	334.375	0.999	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1	ZINC000398258742	301455311	/nfs/dbraw/zinc/45/53/11/301455311.db2.gz	SZCDVPQFUDEFHA-UHFFFAOYSA-N	-2	3	330.318	0.889	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CC1	ZINC000387558764	438422355	/nfs/dbraw/zinc/42/23/55/438422355.db2.gz	SNIZFZHOEPEYQK-NSHDSACASA-N	-2	3	330.318	0.745	20	5		ECBDHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000414317637	438702450	/nfs/dbraw/zinc/70/24/50/438702450.db2.gz	AKVCSELJNDZAKR-SCZZXKLOSA-N	-2	3	344.345	0.996	20	5		ECBDHL
CO[C@@H](C)CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566317504	439041882	/nfs/dbraw/zinc/04/18/82/439041882.db2.gz	RECMHDUAVLTBAO-QMMMGPOBSA-N	-2	3	332.334	0.996	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO2)c([N+](=O)[O-])c1	ZINC000593303834	439364778	/nfs/dbraw/zinc/36/47/78/439364778.db2.gz	AHEBUWJJEUHZCM-SECBINFHSA-N	-2	3	330.318	0.750	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548226961	322151475	/nfs/dbraw/zinc/15/14/75/322151475.db2.gz	FGMMTCHWVNFCCA-JTQLQIEISA-N	-2	3	332.334	0.590	20	5		ECBDHL
CO[C@H](C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000573730015	322766902	/nfs/dbraw/zinc/76/69/02/322766902.db2.gz	USQNKTALNPGEES-MRVPVSSYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
Cc1sc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-]	ZINC000619708977	546359617	/nfs/dbraw/zinc/35/96/17/546359617.db2.gz	JKJGACSGYDYDPZ-JTQLQIEISA-N	-2	3	336.347	0.487	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1	ZINC000759168893	579487186	/nfs/dbraw/zinc/48/71/86/579487186.db2.gz	UECZVUPFDZLPLC-UHFFFAOYSA-N	-2	3	338.301	0.993	20	5		ECBDHL
O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000822987131	587694310	/nfs/dbraw/zinc/69/43/10/587694310.db2.gz	QWPALUPLYWGOBP-UHFFFAOYSA-N	-2	3	344.291	0.706	20	5		ECBDHL
CCO[N-]C(=O)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1	ZINC000848593760	589301456	/nfs/dbraw/zinc/30/14/56/589301456.db2.gz	TUELVVYDPGTSJI-UHFFFAOYSA-N	-2	3	333.247	0.750	20	5		ECBDHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000040700002	436266195	/nfs/dbraw/zinc/26/61/95/436266195.db2.gz	LJZWXGPENFKZMR-SSDOTTSWSA-N	-2	3	338.725	0.362	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c([N+](=O)[O-])c1	ZINC000439187690	438501155	/nfs/dbraw/zinc/50/11/55/438501155.db2.gz	IKTAYSDJFUFVOJ-UHFFFAOYSA-N	-2	3	328.306	0.101	20	5		ECBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000447749011	438677780	/nfs/dbraw/zinc/67/77/80/438677780.db2.gz	BBYPIPKJSSSOKS-CQSZACIVSA-N	-2	3	334.288	0.115	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000594721537	439597776	/nfs/dbraw/zinc/59/77/76/439597776.db2.gz	WMWWRIKHBSFCBO-SCZZXKLOSA-N	-2	3	330.318	0.424	20	5		ECBDHL
CC[C@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])OC	ZINC000572846375	439612216	/nfs/dbraw/zinc/61/22/16/439612216.db2.gz	YAMBWYWHTCIUFI-MRVPVSSYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc1=N	ZINC000555533562	322182612	/nfs/dbraw/zinc/18/26/12/322182612.db2.gz	HOXXBBWLABHZEB-SNVBAGLBSA-N	-2	3	332.320	0.819	20	5		ECBDHL
COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000570336672	322684538	/nfs/dbraw/zinc/68/45/38/322684538.db2.gz	VILUJPFGVUEQAK-ZETCQYMHSA-N	-2	3	346.317	0.380	20	5		ECBDHL
O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776437368	579281504	/nfs/dbraw/zinc/28/15/04/579281504.db2.gz	HZYOHWUHWKMBCA-ZCFIWIBFSA-N	-3	3	338.319	0.253	20	5		ECBDHL
CCN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC000739438233	579687001	/nfs/dbraw/zinc/68/70/01/579687001.db2.gz	BOEPBVASMYOIEV-UHFFFAOYSA-N	-2	3	347.349	0.882	20	5		ECBDHL
CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[N+](=O)[O-]	ZINC000838911770	586828593	/nfs/dbraw/zinc/82/85/93/586828593.db2.gz	AMDFRLAZLDEYRI-UHFFFAOYSA-N	-2	3	341.349	0.598	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCOCC2)c1	ZINC000844893107	589124946	/nfs/dbraw/zinc/12/49/46/589124946.db2.gz	WAIQSNAVOBHHTB-UHFFFAOYSA-N	-2	3	330.318	0.750	20	5		ECBDHL
Cc1n[nH]c(C(=O)NCC=CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1[O-]	ZINC001107126905	760504668	/nfs/dbraw/zinc/50/46/68/760504668.db2.gz	LGLOSQYNRZPHRM-NSCUHMNNSA-N	-2	3	348.319	0.831	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1n[n-]c(S(C)(=O)=O)n1	ZINC000427881204	210227083	/nfs/dbraw/zinc/22/70/83/210227083.db2.gz	YGRZQSYASCXUQP-UHFFFAOYSA-N	-2	3	341.305	0.377	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	ZINC000261799190	201199237	/nfs/dbraw/zinc/19/92/37/201199237.db2.gz	YPGCVEKUSXPMFG-LLVKDONJSA-N	-2	3	332.334	0.991	20	5		ECBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000548530071	302306839	/nfs/dbraw/zinc/30/68/39/302306839.db2.gz	PXYQKJHQVUVIKG-GZMMTYOYSA-N	-2	3	330.318	0.363	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1	ZINC000274884316	436887120	/nfs/dbraw/zinc/88/71/20/436887120.db2.gz	DLHFZTZXWPAYKE-ZCFIWIBFSA-N	-2	3	338.725	0.280	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CC1	ZINC000387558762	438423152	/nfs/dbraw/zinc/42/31/52/438423152.db2.gz	SNIZFZHOEPEYQK-LLVKDONJSA-N	-2	3	330.318	0.745	20	5		ECBDHL
CCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414326807	438702577	/nfs/dbraw/zinc/70/25/77/438702577.db2.gz	YJQUHMBOISGMML-UHFFFAOYSA-N	-2	3	332.334	0.998	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCOCC2)c1	ZINC000578990993	438972467	/nfs/dbraw/zinc/97/24/67/438972467.db2.gz	AOEQOAKCHLHGED-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(=O)[O-]	ZINC000318225239	320710435	/nfs/dbraw/zinc/71/04/35/320710435.db2.gz	GPRANFYKKKBMDN-QMMMGPOBSA-N	-2	3	336.297	0.502	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000318097607	320710439	/nfs/dbraw/zinc/71/04/39/320710439.db2.gz	VFIDECCQDXFVRY-SECBINFHSA-N	-2	3	332.334	0.671	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC000548206407	322151225	/nfs/dbraw/zinc/15/12/25/322151225.db2.gz	AQVLYKXTTUCHDE-GXSJLCMTSA-N	-2	3	344.345	0.671	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c([N+](=O)[O-])c1	ZINC000548249264	322152428	/nfs/dbraw/zinc/15/24/28/322152428.db2.gz	PXJUTQMDIMGCHN-QMMMGPOBSA-N	-3	3	346.317	0.500	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-]C/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000788446043	578837534	/nfs/dbraw/zinc/83/75/34/578837534.db2.gz	IONZCKGINNELMP-IHWYPQMZSA-N	-2	3	334.281	0.662	20	5		ECBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000823645185	587736255	/nfs/dbraw/zinc/73/62/55/587736255.db2.gz	PCOLHGQJFDCBIO-UHFFFAOYSA-N	-2	3	347.316	0.971	20	5		ECBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000823645185	587736256	/nfs/dbraw/zinc/73/62/56/587736256.db2.gz	PCOLHGQJFDCBIO-UHFFFAOYSA-N	-2	3	347.316	0.971	20	5		ECBDHL
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1nc[nH]n1	ZINC000833523460	588547419	/nfs/dbraw/zinc/54/74/19/588547419.db2.gz	PKHPHBXUIQLVEB-ZCFIWIBFSA-N	-2	3	341.305	0.451	20	5		ECBDHL
COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275323211	291051761	/nfs/dbraw/zinc/05/17/61/291051761.db2.gz	SPYVLBLZKLJPEZ-QMMMGPOBSA-N	-2	3	346.317	0.280	20	5		ECBDHL
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548568836	302310462	/nfs/dbraw/zinc/31/04/62/302310462.db2.gz	CYWZVEPIYSYWPZ-MWLCHTKSSA-N	-2	3	332.334	0.487	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000275038312	436914127	/nfs/dbraw/zinc/91/41/27/436914127.db2.gz	VBMJBYAIZZKSDY-QMMMGPOBSA-N	-3	3	346.317	0.357	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1	ZINC000414328050	438702333	/nfs/dbraw/zinc/70/23/33/438702333.db2.gz	ZOBUBYWMHWCSSW-VIFPVBQESA-N	-2	3	330.318	0.750	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC2)c1	ZINC000414318993	438702341	/nfs/dbraw/zinc/70/23/41/438702341.db2.gz	NEOMGVOJJLRFDZ-QMMMGPOBSA-N	-2	3	330.318	0.608	20	5		ECBDHL
CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414339513	438704419	/nfs/dbraw/zinc/70/44/19/438704419.db2.gz	SYEYIKISCONHIC-QMMMGPOBSA-N	-2	3	332.334	0.996	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548226962	322151406	/nfs/dbraw/zinc/15/14/06/322151406.db2.gz	FGMMTCHWVNFCCA-SNVBAGLBSA-N	-2	3	332.334	0.590	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]CCOCC2CC2)c1[N+](=O)[O-]	ZINC000570727308	322698105	/nfs/dbraw/zinc/69/81/05/322698105.db2.gz	NGMSJDXYVQQGRC-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
Cn1[n-]c([C@@H]2CCCN2C(=O)c2cccc([O-])c2[N+](=O)[O-])nc1=N	ZINC000572652086	322748774	/nfs/dbraw/zinc/74/87/74/322748774.db2.gz	HXQUDFUTQVPLHJ-VIFPVBQESA-N	-2	3	332.320	0.819	20	5		ECBDHL
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000447751501	211205033	/nfs/dbraw/zinc/20/50/33/211205033.db2.gz	RNALZMBFNNDZEJ-CQSZACIVSA-N	-2	3	334.288	0.115	20	5		ECBDHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000021011794	436113273	/nfs/dbraw/zinc/11/32/73/436113273.db2.gz	ZJSYZGCLHVVQPL-ANLVUFKYSA-N	-2	3	338.725	0.361	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000548685696	302320273	/nfs/dbraw/zinc/32/02/73/302320273.db2.gz	KACAETUTWQBHBV-CYBMUJFWSA-N	-2	3	346.361	0.655	20	5		ECBDHL
C[C@@](CO)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000275528635	436979638	/nfs/dbraw/zinc/97/96/38/436979638.db2.gz	BMRVZVDVEZJVBK-LBPRGKRZSA-N	-2	3	332.334	0.346	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000290903753	437541894	/nfs/dbraw/zinc/54/18/94/437541894.db2.gz	FKNMJPWITRZMSA-SNVBAGLBSA-N	-2	3	346.361	0.980	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC	ZINC000391116515	438438688	/nfs/dbraw/zinc/43/86/88/438438688.db2.gz	JDINWLIXUMRFER-SECBINFHSA-N	-2	3	348.333	0.371	20	5		ECBDHL
CN(C)C(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000516574351	438914659	/nfs/dbraw/zinc/91/46/59/438914659.db2.gz	OEIRYAZSTLMVDJ-UHFFFAOYSA-N	-2	3	345.333	0.050	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@H]2CCCO2)c1[N+](=O)[O-]	ZINC000593304540	439364729	/nfs/dbraw/zinc/36/47/29/439364729.db2.gz	QYAWDQMUNMRUEJ-MRVPVSSYSA-N	-2	3	330.318	0.750	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c1[N+](=O)[O-]	ZINC000593317232	439367274	/nfs/dbraw/zinc/36/72/74/439367274.db2.gz	WUVVVJMIKNBTRQ-QNSHHTMESA-N	-2	3	342.329	0.891	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC	ZINC000323082323	320719225	/nfs/dbraw/zinc/71/92/25/320719225.db2.gz	UPLHFAHHRWZIGQ-SECBINFHSA-N	-2	3	348.333	0.371	20	5		ECBDHL
CCOc1ccc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)cc1[N+](=O)[O-]	ZINC000737195547	578484543	/nfs/dbraw/zinc/48/45/43/578484543.db2.gz	SHRGRZARHIJXJF-UHFFFAOYSA-N	-2	3	335.276	0.991	20	5		ECBDHL
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1	ZINC000826500865	588064354	/nfs/dbraw/zinc/06/43/54/588064354.db2.gz	PARHWNNQQWQKMM-UHFFFAOYSA-N	-2	3	336.293	0.299	20	5		ECBDHL
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000294266521	436943801	/nfs/dbraw/zinc/94/38/01/436943801.db2.gz	OEPVIDYHCZRKJX-SSDOTTSWSA-N	-2	3	334.292	0.127	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-]	ZINC000275576046	436986205	/nfs/dbraw/zinc/98/62/05/436986205.db2.gz	GUBSRFOQBHNYFR-ZDUSSCGKSA-N	-2	3	346.361	0.655	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000290492710	437494154	/nfs/dbraw/zinc/49/41/54/437494154.db2.gz	HAOVJZOTZYXQRD-VIFPVBQESA-N	-2	3	336.297	0.502	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(=O)[O-])COC2)cc1C	ZINC000372288648	438061839	/nfs/dbraw/zinc/06/18/39/438061839.db2.gz	LSDLIVMHBQRJRQ-UHFFFAOYSA-N	-2	3	330.318	0.344	20	5		ECBDHL
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000351859361	438350869	/nfs/dbraw/zinc/35/08/69/438350869.db2.gz	NZLKCDPYUCGLMJ-UHFFFAOYSA-N	-2	3	335.276	0.804	20	5		ECBDHL
C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])[C@H]1CCOC1	ZINC000519163234	439026191	/nfs/dbraw/zinc/02/61/91/439026191.db2.gz	VCEMVTLEIHWJJG-IUCAKERBSA-N	-2	3	344.345	0.996	20	5		ECBDHL
CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000566316761	439039819	/nfs/dbraw/zinc/03/98/19/439039819.db2.gz	OCGKDOMOJFLENH-JGVFFNPUSA-N	-2	3	332.334	0.995	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-]	ZINC000594573186	439578115	/nfs/dbraw/zinc/57/81/15/439578115.db2.gz	JBFUCNOJVPICMB-ZETCQYMHSA-N	-2	3	336.297	0.695	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000567975072	322607871	/nfs/dbraw/zinc/60/78/71/322607871.db2.gz	HQTHKSAFELYYCA-VIFPVBQESA-N	-2	3	332.334	0.671	20	5		ECBDHL
CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000580317430	322921998	/nfs/dbraw/zinc/92/19/98/322921998.db2.gz	YDIBEPPEXVSXGH-HTQZYQBOSA-N	-2	3	332.334	0.995	20	5		ECBDHL
O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)c1ccccc1[N+](=O)[O-]	ZINC000821588710	587602685	/nfs/dbraw/zinc/60/26/85/587602685.db2.gz	FQMZBCORYXBXMA-UHFFFAOYSA-N	-2	3	347.312	0.985	20	5		ECBDHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000846001811	589180410	/nfs/dbraw/zinc/18/04/10/589180410.db2.gz	HWLKOVLYWPRBFL-UHFFFAOYSA-N	-2	3	337.741	0.594	20	5		ECBDHL
CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275011487	436909745	/nfs/dbraw/zinc/90/97/45/436909745.db2.gz	NLCRBENAMWOFIG-VIFPVBQESA-N	-2	3	330.318	0.696	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c1[N+](=O)[O-]	ZINC000277249574	437205051	/nfs/dbraw/zinc/20/50/51/437205051.db2.gz	LLFKUAALZUZSAK-IUCAKERBSA-N	-2	3	332.334	0.324	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC)c([N+](=O)[O-])c1	ZINC000323040780	437222151	/nfs/dbraw/zinc/22/21/51/437222151.db2.gz	BYIHFUJRAJOGIX-SECBINFHSA-N	-2	3	348.333	0.371	20	5		ECBDHL
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000351857293	438350058	/nfs/dbraw/zinc/35/00/58/438350058.db2.gz	MHFMNGDYMCZNIF-UHFFFAOYSA-N	-2	3	335.276	0.804	20	5		ECBDHL
O=C(NCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc([O-])cc1	ZINC000436642708	438418330	/nfs/dbraw/zinc/41/83/30/438418330.db2.gz	KDIAHDVIWKQPAE-UHFFFAOYSA-N	-2	3	346.299	0.561	20	5		ECBDHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000414317644	438702671	/nfs/dbraw/zinc/70/26/71/438702671.db2.gz	AKVCSELJNDZAKR-WPRPVWTQSA-N	-2	3	344.345	0.996	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000594573667	439577460	/nfs/dbraw/zinc/57/74/60/439577460.db2.gz	QYMZEEYKAGOPDB-QMMMGPOBSA-N	-2	3	336.297	0.695	20	5		ECBDHL
CCCNC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000565060727	322425906	/nfs/dbraw/zinc/42/59/06/322425906.db2.gz	LRCQORNBPQHEKD-UHFFFAOYSA-N	-2	3	345.333	0.098	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCN(C)C(=O)[O-]	ZINC000739870716	579720383	/nfs/dbraw/zinc/72/03/83/579720383.db2.gz	CRHISOWTNUNHNX-UHFFFAOYSA-N	-2	3	333.322	0.492	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]CCN(C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000739932911	579723004	/nfs/dbraw/zinc/72/30/04/579723004.db2.gz	NRYVUJAGGOBPLC-UHFFFAOYSA-N	-2	3	333.322	0.492	20	5		ECBDHL
O=C([O-])c1csc(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)c1	ZINC000833344424	588535458	/nfs/dbraw/zinc/53/54/58/588535458.db2.gz	QPGDYOLHVZPWLW-UHFFFAOYSA-N	-2	3	346.346	0.530	20	5		ECBDHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000230066252	201044271	/nfs/dbraw/zinc/04/42/71/201044271.db2.gz	TVZCBWYLKMCSFS-QMMMGPOBSA-N	-2	3	338.725	0.362	20	5		ECBDHL
CCC[C@H](O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000547934571	302277139	/nfs/dbraw/zinc/27/71/39/302277139.db2.gz	RDOYYOUXEAPEOC-NWDGAFQWSA-N	-2	3	346.361	0.628	20	5		ECBDHL
COC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548218539	302290562	/nfs/dbraw/zinc/29/05/62/302290562.db2.gz	LWEOUKZRBWQDMR-VIFPVBQESA-N	-2	3	332.334	0.590	20	5		ECBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000548530076	302306845	/nfs/dbraw/zinc/30/68/45/302306845.db2.gz	PXYQKJHQVUVIKG-KWQFWETISA-N	-2	3	330.318	0.363	20	5		ECBDHL
CC(C)NC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414318220	438702020	/nfs/dbraw/zinc/70/20/20/438702020.db2.gz	LMIFRLDOPXLFIX-UHFFFAOYSA-N	-2	3	345.333	0.096	20	5		ECBDHL
Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])nc1=N	ZINC000588823276	438840918	/nfs/dbraw/zinc/84/09/18/438840918.db2.gz	MPQLLYOESWFSHY-JTQLQIEISA-N	-2	3	332.320	0.819	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c1[N+](=O)[O-]	ZINC000566918639	439099645	/nfs/dbraw/zinc/09/96/45/439099645.db2.gz	LYAHOHIZMVEKDV-SECBINFHSA-N	-2	3	344.345	0.998	20	5		ECBDHL
C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000566316965	322524292	/nfs/dbraw/zinc/52/42/92/322524292.db2.gz	ACJBDHWBLLWPHB-WPRPVWTQSA-N	-2	3	344.345	0.996	20	5		ECBDHL
CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])OC	ZINC000568006626	322609577	/nfs/dbraw/zinc/60/95/77/322609577.db2.gz	LOEPTUFVDCDYPH-VIFPVBQESA-N	-2	3	332.334	0.996	20	5		ECBDHL
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1	ZINC000826498824	588063887	/nfs/dbraw/zinc/06/38/87/588063887.db2.gz	LFRDKTVLLJUHHZ-UHFFFAOYSA-N	-2	3	347.316	0.971	20	5		ECBDHL
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[N-]OCC1CCC1	ZINC000856351473	589661533	/nfs/dbraw/zinc/66/15/33/589661533.db2.gz	KBHPWXYZEXGZJG-UHFFFAOYSA-N	-2	3	343.361	0.721	20	5		ECBDHL
O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000355516082	299262860	/nfs/dbraw/zinc/26/28/60/299262860.db2.gz	ZFTMXQRRHNUNMO-CQSZACIVSA-N	-2	3	334.288	0.115	20	5		ECBDHL
C[C@@](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])(CC(=O)[O-])C(=O)[O-]	ZINC000548590323	302311997	/nfs/dbraw/zinc/31/19/97/302311997.db2.gz	KBXPUPPUKVDRMZ-LBPRGKRZSA-N	-3	3	346.317	0.439	20	5		ECBDHL
CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000274900452	436890915	/nfs/dbraw/zinc/89/09/15/436890915.db2.gz	IBWIVRGVYWSMOE-ZETCQYMHSA-N	-2	3	346.317	0.508	20	5		ECBDHL
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000350837366	438234033	/nfs/dbraw/zinc/23/40/33/438234033.db2.gz	SXMZOHFIHMYXQU-ZETCQYMHSA-N	-2	3	335.276	0.804	20	5		ECBDHL
COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414315216	438703007	/nfs/dbraw/zinc/70/30/07/438703007.db2.gz	FQPQMDWEUPSMNX-ZETCQYMHSA-N	-2	3	346.317	0.380	20	5		ECBDHL
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CO1	ZINC000577956528	438884645	/nfs/dbraw/zinc/88/46/45/438884645.db2.gz	FCYQOCURWCBVSR-APPZFPTMSA-N	-2	3	330.318	0.749	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)cc1[N+](=O)[O-]	ZINC000567439742	439142084	/nfs/dbraw/zinc/14/20/84/439142084.db2.gz	HHWXLJIQJKHVMP-SNVBAGLBSA-N	-2	3	348.308	0.884	20	5		ECBDHL
Cn1[n-]c([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])nc1=N	ZINC000583635621	439493802	/nfs/dbraw/zinc/49/38/02/439493802.db2.gz	OQTNXOZIPWMXGF-JTQLQIEISA-N	-2	3	332.320	0.819	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000594720570	439595846	/nfs/dbraw/zinc/59/58/46/439595846.db2.gz	QAPFJDOFQAGOME-KCJUWKMLSA-N	-2	3	346.317	0.124	20	5		ECBDHL
COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000569689641	322661643	/nfs/dbraw/zinc/66/16/43/322661643.db2.gz	OTPTVQXOKGFAMP-GFCCVEGCSA-N	-2	3	332.334	0.753	20	5		ECBDHL
O=C([O-])C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000340452008	297484958	/nfs/dbraw/zinc/48/49/58/297484958.db2.gz	PRXVMHPGGBRDBM-UHFFFAOYSA-N	-2	3	339.123	0.720	20	5		ECBDHL
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000447753524	301473559	/nfs/dbraw/zinc/47/35/59/301473559.db2.gz	KTNGYQFEWSDSNQ-AWEZNQCLSA-N	-2	3	334.288	0.115	20	5		ECBDHL
CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000271550598	436693347	/nfs/dbraw/zinc/69/33/47/436693347.db2.gz	PBGPWSSCSMPSNR-UHFFFAOYSA-N	-2	3	347.349	0.195	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-]	ZINC000275087959	436921484	/nfs/dbraw/zinc/92/14/84/436921484.db2.gz	ZYSUHZYZVIMQRJ-MRVPVSSYSA-N	-2	3	332.334	0.993	20	5		ECBDHL
CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000274924903	436893795	/nfs/dbraw/zinc/89/37/95/436893795.db2.gz	NQNKXGSGCLTHOR-SECBINFHSA-N	-2	3	346.317	0.523	20	5		ECBDHL
COC(=O)CCCS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000274928621	436895849	/nfs/dbraw/zinc/89/58/49/436895849.db2.gz	CBNQBJCPSBDWDT-UHFFFAOYSA-N	-2	3	346.317	0.988	20	5		ECBDHL
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275011486	436909437	/nfs/dbraw/zinc/90/94/37/436909437.db2.gz	NLCRBENAMWOFIG-SECBINFHSA-N	-2	3	330.318	0.696	20	5		ECBDHL
Cn1cc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000322877154	437219572	/nfs/dbraw/zinc/21/95/72/437219572.db2.gz	ALINECVUELXCSR-LLVKDONJSA-N	-2	3	340.317	0.433	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c1C	ZINC000374442891	438208184	/nfs/dbraw/zinc/20/81/84/438208184.db2.gz	LOVDQHRQYHEIIJ-CYBMUJFWSA-N	-2	3	344.345	0.734	20	5		ECBDHL
O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000390302515	438431692	/nfs/dbraw/zinc/43/16/92/438431692.db2.gz	LHSVFCAVUIURAH-VIFPVBQESA-N	-2	3	340.317	0.292	20	5		ECBDHL
CCC1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])COC1	ZINC000566316677	439039667	/nfs/dbraw/zinc/03/96/67/439039667.db2.gz	JJWZUGMUMJOMAZ-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
CCOC(=O)c1nc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n[n-]1	ZINC000615917877	439808380	/nfs/dbraw/zinc/80/83/80/439808380.db2.gz	OVCWXQNTZCPEGX-UHFFFAOYSA-N	-2	3	335.276	0.525	20	5		ECBDHL
CCOC(=O)c1nnc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[n-]1	ZINC000615917877	439808381	/nfs/dbraw/zinc/80/83/81/439808381.db2.gz	OVCWXQNTZCPEGX-UHFFFAOYSA-N	-2	3	335.276	0.525	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)c1[N+](=O)[O-]	ZINC000277249570	320589201	/nfs/dbraw/zinc/58/92/01/320589201.db2.gz	LLFKUAALZUZSAK-DTWKUNHWSA-N	-2	3	332.334	0.324	20	5		ECBDHL
Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc1=N	ZINC000555533561	322182626	/nfs/dbraw/zinc/18/26/26/322182626.db2.gz	HOXXBBWLABHZEB-JTQLQIEISA-N	-2	3	332.320	0.819	20	5		ECBDHL
C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCOC1	ZINC000577225024	322829229	/nfs/dbraw/zinc/82/92/29/322829229.db2.gz	JVNJVHZESNMWSG-ZDUSSCGKSA-N	-2	3	344.345	0.998	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC000619708991	546360037	/nfs/dbraw/zinc/36/00/37/546360037.db2.gz	MDOFWLOZBGRABX-GFCCVEGCSA-N	-2	3	346.317	0.125	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000739930918	579722857	/nfs/dbraw/zinc/72/28/57/579722857.db2.gz	CNIOGNLWQSAWQH-QMMMGPOBSA-N	-2	3	345.333	0.634	20	5		ECBDHL
COCCn1cc([N-]c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1	ZINC000821695339	587624237	/nfs/dbraw/zinc/62/42/37/587624237.db2.gz	TUIVOCBMFMPHNO-UHFFFAOYSA-N	-2	3	331.296	0.756	20	5		ECBDHL
COCCn1cc([N-]c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1	ZINC000821695339	587624239	/nfs/dbraw/zinc/62/42/39/587624239.db2.gz	TUIVOCBMFMPHNO-UHFFFAOYSA-N	-2	3	331.296	0.756	20	5		ECBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000548530074	302307103	/nfs/dbraw/zinc/30/71/03/302307103.db2.gz	PXYQKJHQVUVIKG-KCJUWKMLSA-N	-2	3	330.318	0.363	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	ZINC000261707508	436882399	/nfs/dbraw/zinc/88/23/99/436882399.db2.gz	OWBTUOGLGRUECG-NSHDSACASA-N	-2	3	332.334	0.991	20	5		ECBDHL
O=C([O-])C1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1	ZINC000274973475	436902538	/nfs/dbraw/zinc/90/25/38/436902538.db2.gz	KTXAXZUEMBJDDK-UHFFFAOYSA-N	-2	3	344.345	0.755	20	5		ECBDHL
CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000274970005	436903556	/nfs/dbraw/zinc/90/35/56/436903556.db2.gz	INZUZMDPIZIOMA-JTQLQIEISA-N	-2	3	348.308	0.835	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c([N+](=O)[O-])c1	ZINC000315721938	437181330	/nfs/dbraw/zinc/18/13/30/437181330.db2.gz	NLAPOFVXXHBSLM-LLVKDONJSA-N	-2	3	330.318	0.745	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1[N+](=O)[O-]	ZINC000439188148	438501127	/nfs/dbraw/zinc/50/11/27/438501127.db2.gz	DYDCWYTXXPZAKY-UHFFFAOYSA-N	-2	3	342.333	0.409	20	5		ECBDHL
CC(C)OCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000593314027	439364802	/nfs/dbraw/zinc/36/48/02/439364802.db2.gz	DZXGTJDQJFQXTF-UHFFFAOYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(N)=O	ZINC000582488988	439344175	/nfs/dbraw/zinc/34/41/75/439344175.db2.gz	AWDSDXWZWQIYBH-SNVBAGLBSA-N	-2	3	345.333	0.081	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC000321387583	320716222	/nfs/dbraw/zinc/71/62/22/320716222.db2.gz	WIEVRDGYJONBAL-LBPRGKRZSA-N	-2	3	346.317	0.125	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c([N+](=O)[O-])c1	ZINC000571181094	322713146	/nfs/dbraw/zinc/71/31/46/322713146.db2.gz	PYVWASFJSKENCI-LBPRGKRZSA-N	-2	3	330.318	0.425	20	5		ECBDHL
CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000574163755	322774475	/nfs/dbraw/zinc/77/44/75/322774475.db2.gz	YDIBEPPEXVSXGH-YUMQZZPRSA-N	-2	3	332.334	0.995	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000787934954	578822464	/nfs/dbraw/zinc/82/24/64/578822464.db2.gz	RNZAHRDDGBAACE-SECBINFHSA-N	-2	3	346.317	0.314	20	5		ECBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000849222782	589323361	/nfs/dbraw/zinc/32/33/61/589323361.db2.gz	ZXWGYENEKAXEQT-MRVPVSSYSA-N	-2	3	338.725	0.280	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC	ZINC000323082325	437221585	/nfs/dbraw/zinc/22/15/85/437221585.db2.gz	UPLHFAHHRWZIGQ-VIFPVBQESA-N	-2	3	348.333	0.371	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1	ZINC000398268949	438451898	/nfs/dbraw/zinc/45/18/98/438451898.db2.gz	YYNMKNCDFQACJG-UHFFFAOYSA-N	-2	3	330.318	0.889	20	5		ECBDHL
O=C([O-])C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000738615779	579641541	/nfs/dbraw/zinc/64/15/41/579641541.db2.gz	IFHJIRAXBUUGQI-UHFFFAOYSA-N	-2	3	339.123	0.720	20	5		ECBDHL
O=C([O-])Cc1nc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n[nH]1	ZINC000739899582	579721044	/nfs/dbraw/zinc/72/10/44/579721044.db2.gz	SFOMZVAGXRZZMB-UHFFFAOYSA-N	-2	3	331.248	0.469	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-]	ZINC000863411056	590012056	/nfs/dbraw/zinc/01/20/56/590012056.db2.gz	SKKXRPBZKKCNTA-SECBINFHSA-N	-2	3	346.317	0.314	20	5		ECBDHL
COCCCS(=O)(=O)[N-]CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000271581376	263316464	/nfs/dbraw/zinc/31/64/64/263316464.db2.gz	SAXZRUAXDOMWGG-UHFFFAOYSA-N	-2	3	347.349	0.195	20	5		ECBDHL
O=C([O-])C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1	ZINC000363102816	300246662	/nfs/dbraw/zinc/24/66/62/300246662.db2.gz	VZUJOIFAWONRNI-UHFFFAOYSA-N	-2	3	330.318	0.507	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c1[N+](=O)[O-]	ZINC000277249567	437205402	/nfs/dbraw/zinc/20/54/02/437205402.db2.gz	LLFKUAALZUZSAK-BDAKNGLRSA-N	-2	3	332.334	0.324	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC000290939772	437543941	/nfs/dbraw/zinc/54/39/41/437543941.db2.gz	KMNNUUJZENGRMF-SECBINFHSA-N	-2	3	348.333	0.371	20	5		ECBDHL
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CO1	ZINC000581072751	439166253	/nfs/dbraw/zinc/16/62/53/439166253.db2.gz	BOENJDGFGDQLKB-SFYZADRCSA-N	-2	3	330.318	0.749	20	5		ECBDHL
COCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000547878111	322141576	/nfs/dbraw/zinc/14/15/76/322141576.db2.gz	ZGUWMTJKYVWUCM-VIFPVBQESA-N	-2	3	332.334	0.671	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCN(C(=O)[O-])C1	ZINC000739870731	579720395	/nfs/dbraw/zinc/72/03/95/579720395.db2.gz	CXSJTWBCXIGZFY-QMMMGPOBSA-N	-2	3	345.333	0.634	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)cc1C	ZINC000740096474	579729520	/nfs/dbraw/zinc/72/95/20/579729520.db2.gz	FUCZIWQKABNKPV-UHFFFAOYSA-N	-2	3	329.334	0.852	20	5		ECBDHL
COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000158596028	296709209	/nfs/dbraw/zinc/70/92/09/296709209.db2.gz	QLLJLSDJYWQOGG-QMMMGPOBSA-N	-2	3	338.725	0.626	20	5		ECBDHL
CCn1cc(S(=O)(=O)[N-]Cc2cnc(C)[n-]c2=O)c([N+](=O)[O-])n1	ZINC000343979301	297967841	/nfs/dbraw/zinc/96/78/41/297967841.db2.gz	MNMPYTJYFJCDFC-UHFFFAOYSA-N	-2	3	342.337	0.094	20	5		ECBDHL
CCOC(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000518778385	301727638	/nfs/dbraw/zinc/72/76/38/301727638.db2.gz	MCCAHSDBSOLWKG-UHFFFAOYSA-N	-2	3	346.317	0.525	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c([N+](=O)[O-])c1	ZINC000315721939	437181361	/nfs/dbraw/zinc/18/13/61/437181361.db2.gz	NLAPOFVXXHBSLM-NSHDSACASA-N	-2	3	330.318	0.745	20	5		ECBDHL
COC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000328562848	437237039	/nfs/dbraw/zinc/23/70/39/437237039.db2.gz	INDVHCFUYZONNM-CYBMUJFWSA-N	-2	3	346.361	0.980	20	5		ECBDHL
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000350872520	438236932	/nfs/dbraw/zinc/23/69/32/438236932.db2.gz	VVBIPTOWDQJFJH-SSDOTTSWSA-N	-2	3	335.276	0.804	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1	ZINC000414328043	438702402	/nfs/dbraw/zinc/70/24/02/438702402.db2.gz	ZOBUBYWMHWCSSW-SECBINFHSA-N	-2	3	330.318	0.750	20	5		ECBDHL
CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])OC	ZINC000414342788	438704025	/nfs/dbraw/zinc/70/40/25/438704025.db2.gz	MYPNDAAAWDFJRS-SECBINFHSA-N	-2	3	332.334	0.996	20	5		ECBDHL
O=C(CC[C@H]1NC(=O)[N-]C1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000597467656	439106062	/nfs/dbraw/zinc/10/60/62/439106062.db2.gz	UFSGXKYINYGOJQ-ZCFIWIBFSA-N	-2	3	342.695	0.881	20	5		ECBDHL
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CO1	ZINC000581072752	439166704	/nfs/dbraw/zinc/16/67/04/439166704.db2.gz	BOENJDGFGDQLKB-YUMQZZPRSA-N	-2	3	330.318	0.749	20	5		ECBDHL
CCOC(=O)c1nc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c[n-]1	ZINC000600666742	439686421	/nfs/dbraw/zinc/68/64/21/439686421.db2.gz	DAQCLJZANXZBJT-UHFFFAOYSA-N	-2	3	344.309	0.029	20	5		ECBDHL
CCOC(=O)c1ncc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[n-]1	ZINC000600666742	439686424	/nfs/dbraw/zinc/68/64/24/439686424.db2.gz	DAQCLJZANXZBJT-UHFFFAOYSA-N	-2	3	344.309	0.029	20	5		ECBDHL
CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548266346	322152522	/nfs/dbraw/zinc/15/25/22/322152522.db2.gz	VKTGKCSNAPYJLG-WDEREUQCSA-N	-2	3	346.361	0.796	20	5		ECBDHL
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O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[N-]OC/C=C\Cl	ZINC000794303477	578582930	/nfs/dbraw/zinc/58/29/30/578582930.db2.gz	CNCQLTCYAVUJIK-UTCJRWHESA-N	-2	3	349.752	0.673	20	5		ECBDHL
CC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000787934875	578822542	/nfs/dbraw/zinc/82/25/42/578822542.db2.gz	RAQBBOOPFFDMIT-SNVBAGLBSA-N	-2	3	344.345	0.922	20	5		ECBDHL
Cc1nn(C)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c1[N+](=O)[O-]	ZINC000826333249	588026531	/nfs/dbraw/zinc/02/65/31/588026531.db2.gz	ZWYFGWAKLRAYQS-UHFFFAOYSA-N	-2	3	344.291	0.775	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)c1C	ZINC000297260744	265135003	/nfs/dbraw/zinc/13/50/03/265135003.db2.gz	RPEMTHHCCUIFDM-WCBMZHEXSA-N	-2	3	332.334	0.324	20	5		ECBDHL
O=C([O-])CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1	ZINC000520806133	301779397	/nfs/dbraw/zinc/77/93/97/301779397.db2.gz	CUJRXOFJCOHTPL-UHFFFAOYSA-N	-2	3	344.345	0.897	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(=O)[O-]	ZINC000274962431	436901224	/nfs/dbraw/zinc/90/12/24/436901224.db2.gz	VCBLWDHTGMIBMH-UHFFFAOYSA-N	-2	3	346.317	0.525	20	5		ECBDHL
O=C(Nc1nnc(SCCO)[n-]1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436606787	438416675	/nfs/dbraw/zinc/41/66/75/438416675.db2.gz	NEUWKMGPZLALND-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
O=C(Nc1nc(SCCO)n[n-]1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436606787	438416679	/nfs/dbraw/zinc/41/66/79/438416679.db2.gz	NEUWKMGPZLALND-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
O=C(Nc1n[n-]c(SCCO)n1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436606787	438416684	/nfs/dbraw/zinc/41/66/84/438416684.db2.gz	NEUWKMGPZLALND-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
CCOC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000575927033	438760886	/nfs/dbraw/zinc/76/08/86/438760886.db2.gz	RFDYYELMWXDSLT-UHFFFAOYSA-N	-2	3	332.290	0.134	20	5		ECBDHL
COC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-]	ZINC000592144636	439165139	/nfs/dbraw/zinc/16/51/39/439165139.db2.gz	FOJKDIFSSCKASV-LBPRGKRZSA-N	-2	3	348.333	0.371	20	5		ECBDHL
COCCOCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000581195112	439181785	/nfs/dbraw/zinc/18/17/85/439181785.db2.gz	KSIHQXXZCDIKFO-UHFFFAOYSA-N	-2	3	348.333	0.234	20	5		ECBDHL
COC[C@@](C)([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000581248716	439189596	/nfs/dbraw/zinc/18/95/96/439189596.db2.gz	CWWUOEOVOSIDJW-GFCCVEGCSA-N	-2	3	332.334	0.671	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000290709169	320687519	/nfs/dbraw/zinc/68/75/19/320687519.db2.gz	TUKRTIQLHNFHEO-JTQLQIEISA-N	-2	3	346.361	0.980	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2(O)CCC2)c([N+](=O)[O-])c1	ZINC000575993195	322799744	/nfs/dbraw/zinc/79/97/44/322799744.db2.gz	XHRZMPFHOYQRIC-UHFFFAOYSA-N	-2	3	344.345	0.876	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000619470840	546330361	/nfs/dbraw/zinc/33/03/61/546330361.db2.gz	ZIVUIZHRLFDADL-BDAKNGLRSA-N	-2	3	342.329	0.911	20	5		ECBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000447749010	211204675	/nfs/dbraw/zinc/20/46/75/211204675.db2.gz	BBYPIPKJSSSOKS-AWEZNQCLSA-N	-2	3	334.288	0.115	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])cc1C	ZINC000262302381	165326208	/nfs/dbraw/zinc/32/62/08/165326208.db2.gz	ORKMFDRFRMIBDV-LBPRGKRZSA-N	-2	3	332.334	0.326	20	5		ECBDHL
NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1	ZINC000347727700	298496324	/nfs/dbraw/zinc/49/63/24/298496324.db2.gz	XNTKSKHFOFLTSC-UHFFFAOYSA-N	-2	3	326.290	0.528	20	5		ECBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000548530078	302307026	/nfs/dbraw/zinc/30/70/26/302307026.db2.gz	PXYQKJHQVUVIKG-LDYMZIIASA-N	-2	3	330.318	0.363	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])cc1C	ZINC000275029560	436912207	/nfs/dbraw/zinc/91/22/07/436912207.db2.gz	FLTGZZDDAZKNCQ-VIFPVBQESA-N	-2	3	332.334	0.326	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	ZINC000275086560	436921614	/nfs/dbraw/zinc/92/16/14/436921614.db2.gz	OFSVRCIGWHGPHJ-LURJTMIESA-N	-2	3	332.290	0.133	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274951886	436898011	/nfs/dbraw/zinc/89/80/11/436898011.db2.gz	SRNZGPGGRDLDQL-SSDOTTSWSA-N	-3	3	332.290	0.109	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC(=O)[O-]	ZINC000274980919	436904420	/nfs/dbraw/zinc/90/44/20/436904420.db2.gz	XQAZBWVAPYMAJA-UHFFFAOYSA-N	-2	3	332.290	0.134	20	5		ECBDHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275323204	436955015	/nfs/dbraw/zinc/95/50/15/436955015.db2.gz	SPYVLBLZKLJPEZ-MRVPVSSYSA-N	-2	3	346.317	0.280	20	5		ECBDHL
COCC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000277274453	437206814	/nfs/dbraw/zinc/20/68/14/437206814.db2.gz	OWTPTWFFMRWETM-JTQLQIEISA-N	-2	3	346.361	0.980	20	5		ECBDHL
O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000278654037	437332199	/nfs/dbraw/zinc/33/21/99/437332199.db2.gz	JXEVGVYTXWKVAN-MRVPVSSYSA-N	-3	3	346.317	0.581	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000291002245	437549638	/nfs/dbraw/zinc/54/96/38/437549638.db2.gz	TUKRTIQLHNFHEO-SNVBAGLBSA-N	-2	3	346.361	0.980	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-]	ZINC000388799343	438425677	/nfs/dbraw/zinc/42/56/77/438425677.db2.gz	JJZQBOPLCQJHCL-SFYZADRCSA-N	-2	3	332.334	0.991	20	5		ECBDHL
CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414335961	438702953	/nfs/dbraw/zinc/70/29/53/438702953.db2.gz	HIPYSCMXFIQURQ-HTQZYQBOSA-N	-2	3	332.334	0.995	20	5		ECBDHL
COC(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000521631970	439127550	/nfs/dbraw/zinc/12/75/50/439127550.db2.gz	UNFTYCLTPWFSEW-UHFFFAOYSA-N	-2	3	332.290	0.134	20	5		ECBDHL
Cn1[n-]c([C@@H]2CCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1=N	ZINC000563267117	322307406	/nfs/dbraw/zinc/30/74/06/322307406.db2.gz	FETNWFGTYAXDTB-NSHDSACASA-N	-2	3	332.320	0.819	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CCOCC2)c([N+](=O)[O-])c1	ZINC000566316596	322524227	/nfs/dbraw/zinc/52/42/27/322524227.db2.gz	FYKMFQZCEFPGSR-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
CC[C@@H](COC)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566317151	322524329	/nfs/dbraw/zinc/52/43/29/322524329.db2.gz	XXQHDDSEIVMUAD-QMMMGPOBSA-N	-2	3	332.334	0.996	20	5		ECBDHL
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C(N)=O	ZINC000578753789	322873708	/nfs/dbraw/zinc/87/37/08/322873708.db2.gz	GLKDVWMEVCVGRS-SECBINFHSA-N	-2	3	345.333	0.081	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]C(C)(C)CNC(=O)[O-])c([N+](=O)[O-])c1	ZINC000739934085	579722912	/nfs/dbraw/zinc/72/29/12/579722912.db2.gz	UGLPWJWDHWEVCF-UHFFFAOYSA-N	-2	3	347.349	0.928	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)NC(=O)[O-]	ZINC000829224375	588319407	/nfs/dbraw/zinc/31/94/07/588319407.db2.gz	IKAGKXKNZWXOQD-UHFFFAOYSA-N	-2	3	347.349	0.928	20	5		ECBDHL
Cc1ncc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(=O)[n-]1	ZINC000542239297	302196597	/nfs/dbraw/zinc/19/65/97/302196597.db2.gz	CMYMETKQIDCMFD-UHFFFAOYSA-N	-2	3	325.306	0.272	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c1C	ZINC000275108406	436924812	/nfs/dbraw/zinc/92/48/12/436924812.db2.gz	RPEMTHHCCUIFDM-SCZZXKLOSA-N	-2	3	332.334	0.324	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-]	ZINC000388799341	438426760	/nfs/dbraw/zinc/42/67/60/438426760.db2.gz	JJZQBOPLCQJHCL-JGVFFNPUSA-N	-2	3	332.334	0.991	20	5		ECBDHL
CCOC(=O)CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000576997428	438807971	/nfs/dbraw/zinc/80/79/71/438807971.db2.gz	SMJDIRXDCWMMOP-UHFFFAOYSA-N	-2	3	346.317	0.525	20	5		ECBDHL
CCOCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000582731311	439373583	/nfs/dbraw/zinc/37/35/83/439373583.db2.gz	ZZOKZDBZLSIRSF-UHFFFAOYSA-N	-2	3	332.334	0.998	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000594718734	439595225	/nfs/dbraw/zinc/59/52/25/439595225.db2.gz	BSAAJOXUKJHEFV-KCJUWKMLSA-N	-2	3	346.317	0.124	20	5		ECBDHL
COC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000392870419	321887481	/nfs/dbraw/zinc/88/74/81/321887481.db2.gz	ISJPPLGABYMPEQ-GFCCVEGCSA-N	-2	3	348.333	0.371	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCOCC2CC2)c([N+](=O)[O-])c1	ZINC000563231560	322305475	/nfs/dbraw/zinc/30/54/75/322305475.db2.gz	KWTABJBTLDMLKE-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
O=C([O-])N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1	ZINC000740505532	579750799	/nfs/dbraw/zinc/75/07/99/579750799.db2.gz	CQFYKUJDZOIMHY-ZETCQYMHSA-N	-2	3	333.297	0.765	20	5		ECBDHL
O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000834078285	588593201	/nfs/dbraw/zinc/59/32/01/588593201.db2.gz	OXONEOXCHPCRFZ-VIFPVBQESA-N	-2	3	329.334	0.873	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000296852983	265120527	/nfs/dbraw/zinc/12/05/27/265120527.db2.gz	CRFXRXUFFKLWKT-UHFFFAOYSA-N	-2	3	330.318	0.747	20	5		ECBDHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCSC1	ZINC000043511592	436330991	/nfs/dbraw/zinc/33/09/91/436330991.db2.gz	ZAGMEBCGSYOJDP-LLVKDONJSA-N	-2	3	332.359	0.833	20	5		ECBDHL
COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC000275102342	436923314	/nfs/dbraw/zinc/92/33/14/436923314.db2.gz	QTWQXWHQKNQNFB-SECBINFHSA-N	-2	3	348.333	0.371	20	5		ECBDHL
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000274970008	436903766	/nfs/dbraw/zinc/90/37/66/436903766.db2.gz	INZUZMDPIZIOMA-SNVBAGLBSA-N	-2	3	348.308	0.835	20	5		ECBDHL
COC[C@](C)([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000392870763	438442748	/nfs/dbraw/zinc/44/27/48/438442748.db2.gz	ISJPPLGABYMPEQ-LBPRGKRZSA-N	-2	3	348.333	0.371	20	5		ECBDHL
CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414335963	438701903	/nfs/dbraw/zinc/70/19/03/438701903.db2.gz	HIPYSCMXFIQURQ-JGVFFNPUSA-N	-2	3	332.334	0.995	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-]	ZINC000589681309	438880021	/nfs/dbraw/zinc/88/00/21/438880021.db2.gz	IIYJJLWUKLZOPN-MRVPVSSYSA-N	-2	3	348.333	0.371	20	5		ECBDHL
CC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000787935811	578822617	/nfs/dbraw/zinc/82/26/17/578822617.db2.gz	PTNCUVQVBBYUOT-JTQLQIEISA-N	-2	3	344.345	0.922	20	5		ECBDHL
Cc1n[nH]c(C(=O)NCC=CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1[O-]	ZINC001107126903	760505228	/nfs/dbraw/zinc/50/52/28/760505228.db2.gz	LGLOSQYNRZPHRM-IHWYPQMZSA-N	-2	3	348.319	0.831	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	ZINC000261707504	244645164	/nfs/dbraw/zinc/64/51/64/244645164.db2.gz	OWBTUOGLGRUECG-LLVKDONJSA-N	-2	3	332.334	0.991	20	5		ECBDHL
O=c1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[n-]o1	ZINC000347419666	298448096	/nfs/dbraw/zinc/44/80/96/298448096.db2.gz	SVZLLYQIIREPIB-UHFFFAOYSA-N	-2	3	348.724	0.446	20	5		ECBDHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000021011795	436114551	/nfs/dbraw/zinc/11/45/51/436114551.db2.gz	ZJSYZGCLHVVQPL-CDUCUWFYSA-N	-2	3	338.725	0.361	20	5		ECBDHL
CC(C)NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000514792507	301617654	/nfs/dbraw/zinc/61/76/54/301617654.db2.gz	MCOYNJCFNAWYNB-UHFFFAOYSA-N	-2	3	345.333	0.096	20	5		ECBDHL
CCC[C@H](O)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000547934572	302277158	/nfs/dbraw/zinc/27/71/58/302277158.db2.gz	RDOYYOUXEAPEOC-RYUDHWBXSA-N	-2	3	346.361	0.628	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-]	ZINC000274889576	436888271	/nfs/dbraw/zinc/88/82/71/436888271.db2.gz	FTEKROCZWDXNLF-ZETCQYMHSA-N	-2	3	346.317	0.380	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c1C	ZINC000274942845	436896428	/nfs/dbraw/zinc/89/64/28/436896428.db2.gz	REYRSDYOIDVNNW-JTQLQIEISA-N	-2	3	332.334	0.326	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000277324682	437209250	/nfs/dbraw/zinc/20/92/50/437209250.db2.gz	UVBFEOKKXWLDDP-ZCFIWIBFSA-N	-2	3	336.297	0.884	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	ZINC000322728343	437219471	/nfs/dbraw/zinc/21/94/71/437219471.db2.gz	SUBYCCYGIVASAF-UHFFFAOYSA-N	-2	3	344.345	0.815	20	5		ECBDHL
COC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414314975	438701838	/nfs/dbraw/zinc/70/18/38/438701838.db2.gz	FJTPMKFAWMAPFZ-UHFFFAOYSA-N	-2	3	332.290	0.134	20	5		ECBDHL
COC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-]	ZINC000592144635	439164837	/nfs/dbraw/zinc/16/48/37/439164837.db2.gz	FOJKDIFSSCKASV-GFCCVEGCSA-N	-2	3	348.333	0.371	20	5		ECBDHL
O=C([O-])C[C@@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1	ZINC000566117177	322503003	/nfs/dbraw/zinc/50/30/03/322503003.db2.gz	MGDBIXSXPOMDGF-LBPRGKRZSA-N	-2	3	330.318	0.507	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C/C=C/C(=O)[O-]	ZINC000788445492	578837486	/nfs/dbraw/zinc/83/74/86/578837486.db2.gz	DVLNCESUZLHYKY-NSCUHMNNSA-N	-2	3	344.301	0.301	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCN(C)C(=O)[O-]	ZINC000739933653	579722968	/nfs/dbraw/zinc/72/29/68/579722968.db2.gz	PVMNWARWSFXPHB-UHFFFAOYSA-N	-2	3	333.322	0.492	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1n[n-]c(S(C)(=O)=O)n1	ZINC000354742339	299112569	/nfs/dbraw/zinc/11/25/69/299112569.db2.gz	URZMWRACPGJUGF-UHFFFAOYSA-N	-2	3	341.305	0.377	20	5		ECBDHL
C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000090276960	436430386	/nfs/dbraw/zinc/43/03/86/436430386.db2.gz	OSXWKEHKZILTKR-JTQLQIEISA-N	-2	3	338.725	0.362	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	ZINC000275185326	436936601	/nfs/dbraw/zinc/93/66/01/436936601.db2.gz	DXBOUBUHQQPXPW-UHFFFAOYSA-N	-2	3	332.334	0.993	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000317360882	437192438	/nfs/dbraw/zinc/19/24/38/437192438.db2.gz	BYOILFHJHBZJLL-YUMQZZPRSA-N	-2	3	332.334	0.991	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC000277348299	437211628	/nfs/dbraw/zinc/21/16/28/437211628.db2.gz	XCWXFTLRMBVCER-VIFPVBQESA-N	-2	3	332.334	0.326	20	5		ECBDHL
O=C([O-])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000340452112	437649122	/nfs/dbraw/zinc/64/91/22/437649122.db2.gz	UDASVHJTPJEGSJ-UHFFFAOYSA-N	-2	3	328.224	0.977	20	5		ECBDHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000414317640	438702479	/nfs/dbraw/zinc/70/24/79/438702479.db2.gz	AKVCSELJNDZAKR-WCBMZHEXSA-N	-2	3	344.345	0.996	20	5		ECBDHL
COC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000516952741	438939805	/nfs/dbraw/zinc/93/98/05/438939805.db2.gz	HDPAJPMSYTWXII-SECBINFHSA-N	-2	3	332.334	0.590	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c([N+](=O)[O-])c1	ZINC000521255064	439112011	/nfs/dbraw/zinc/11/20/11/439112011.db2.gz	WGDLDVURKFOAGK-SECBINFHSA-N	-2	3	344.345	0.998	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC000321309992	320716297	/nfs/dbraw/zinc/71/62/97/320716297.db2.gz	MYDQKBNZKYPXSM-LBPRGKRZSA-N	-2	3	346.317	0.125	20	5		ECBDHL
CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000566316762	322524357	/nfs/dbraw/zinc/52/43/57/322524357.db2.gz	OCGKDOMOJFLENH-YUMQZZPRSA-N	-2	3	332.334	0.995	20	5		ECBDHL
C[C@@](CO)(C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CC(=O)[O-]	ZINC000780288608	578690810	/nfs/dbraw/zinc/69/08/10/578690810.db2.gz	QIFMELHZWOTMBJ-JTQLQIEISA-N	-2	3	338.363	0.408	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000787934955	578822460	/nfs/dbraw/zinc/82/24/60/578822460.db2.gz	RNZAHRDDGBAACE-VIFPVBQESA-N	-2	3	346.317	0.314	20	5		ECBDHL
CC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000787935935	578822595	/nfs/dbraw/zinc/82/25/95/578822595.db2.gz	XUQBEYGQRAINNK-SECBINFHSA-N	-2	3	330.318	0.614	20	5		ECBDHL
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000823123412	587703451	/nfs/dbraw/zinc/70/34/51/587703451.db2.gz	YLWPYSXDAVMNMK-UHFFFAOYSA-N	-2	3	330.264	0.316	20	5		ECBDHL
O=C([O-])N1CC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1	ZINC000834069024	588592529	/nfs/dbraw/zinc/59/25/29/588592529.db2.gz	NWMGPEWNNUPIAZ-UHFFFAOYSA-N	-2	3	333.297	0.622	20	5		ECBDHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000846003177	589180858	/nfs/dbraw/zinc/18/08/58/589180858.db2.gz	YEKFTMLYACMQQF-UHFFFAOYSA-N	-2	3	337.741	0.594	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c1C	ZINC000275154716	263558628	/nfs/dbraw/zinc/55/86/28/263558628.db2.gz	ZCTAXEKSKTYENG-VIFPVBQESA-N	-2	3	332.334	0.326	20	5		ECBDHL
C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000090277002	436431173	/nfs/dbraw/zinc/43/11/73/436431173.db2.gz	SWUJMRPCIKMAJB-JTQLQIEISA-N	-2	3	338.725	0.362	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CC(=O)[O-]	ZINC000530435484	302009882	/nfs/dbraw/zinc/00/98/82/302009882.db2.gz	KFONYGLZXASWHO-ZETCQYMHSA-N	-2	3	338.363	0.733	20	5		ECBDHL
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000547934573	302277316	/nfs/dbraw/zinc/27/73/16/302277316.db2.gz	RDOYYOUXEAPEOC-VXGBXAGGSA-N	-2	3	346.361	0.628	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000275038310	436914224	/nfs/dbraw/zinc/91/42/24/436914224.db2.gz	VBMJBYAIZZKSDY-MRVPVSSYSA-N	-3	3	346.317	0.357	20	5		ECBDHL
COCC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275076096	436918280	/nfs/dbraw/zinc/91/82/80/436918280.db2.gz	MFVULCHPOYELCG-JTQLQIEISA-N	-2	3	346.361	0.980	20	5		ECBDHL
CC[C@H](C)CO[N-]C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000293660508	436897389	/nfs/dbraw/zinc/89/73/89/436897389.db2.gz	HRBXPTWMBSXVOE-JTQLQIEISA-N	-2	3	345.377	0.967	20	5		ECBDHL
CC[C@@H](C)CO[N-]C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000293660511	436898029	/nfs/dbraw/zinc/89/80/29/436898029.db2.gz	HRBXPTWMBSXVOE-SNVBAGLBSA-N	-2	3	345.377	0.967	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c1C	ZINC000263502363	436968998	/nfs/dbraw/zinc/96/89/98/436968998.db2.gz	UETLCZQRDGZCEG-GFCCVEGCSA-N	-2	3	332.334	0.326	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000318097609	437196359	/nfs/dbraw/zinc/19/63/59/437196359.db2.gz	VFIDECCQDXFVRY-VIFPVBQESA-N	-2	3	332.334	0.671	20	5		ECBDHL
O=C(Nc1nnc(SCCO)[n-]1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436867294	438427624	/nfs/dbraw/zinc/42/76/24/438427624.db2.gz	CPPMGBZXFJDJEQ-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
O=C(Nc1nc(SCCO)n[n-]1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436867294	438427628	/nfs/dbraw/zinc/42/76/28/438427628.db2.gz	CPPMGBZXFJDJEQ-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
O=C(Nc1n[n-]c(SCCO)n1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436867294	438427632	/nfs/dbraw/zinc/42/76/32/438427632.db2.gz	CPPMGBZXFJDJEQ-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
COC[C@](C)([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000581248717	439189939	/nfs/dbraw/zinc/18/99/39/439189939.db2.gz	CWWUOEOVOSIDJW-LBPRGKRZSA-N	-2	3	332.334	0.671	20	5		ECBDHL
COCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000569609622	439349426	/nfs/dbraw/zinc/34/94/26/439349426.db2.gz	VACFTGWKWKJRJQ-MRVPVSSYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
CCOC(=O)c1nc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n[n-]1	ZINC000617840222	439984813	/nfs/dbraw/zinc/98/48/13/439984813.db2.gz	AABAKNTVZWEDSB-UHFFFAOYSA-N	-2	3	335.276	0.525	20	5		ECBDHL
CCOC(=O)c1nnc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[n-]1	ZINC000617840222	439984816	/nfs/dbraw/zinc/98/48/16/439984816.db2.gz	AABAKNTVZWEDSB-UHFFFAOYSA-N	-2	3	335.276	0.525	20	5		ECBDHL
CC[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277201760	320587679	/nfs/dbraw/zinc/58/76/79/320587679.db2.gz	FNKFGNXMGJVQHA-QMMMGPOBSA-N	-2	3	336.297	0.884	20	5		ECBDHL
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548266343	322152571	/nfs/dbraw/zinc/15/25/71/322152571.db2.gz	VKTGKCSNAPYJLG-GHMZBOCLSA-N	-2	3	346.361	0.796	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000562273695	322268028	/nfs/dbraw/zinc/26/80/28/322268028.db2.gz	HQTHKSAFELYYCA-SECBINFHSA-N	-2	3	332.334	0.671	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000563007477	322292464	/nfs/dbraw/zinc/29/24/64/322292464.db2.gz	JZFWDHJNWIESLX-LJGSYFOKSA-N	-2	3	348.308	0.884	20	5		ECBDHL
O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776437982	579281435	/nfs/dbraw/zinc/28/14/35/579281435.db2.gz	PSVDTCNBUFAOFL-MRVPVSSYSA-N	-2	3	346.346	0.354	20	5		ECBDHL
O=C([O-])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000738614773	579641577	/nfs/dbraw/zinc/64/15/77/579641577.db2.gz	DAIMRSZKHCCCFP-UHFFFAOYSA-N	-2	3	339.123	0.720	20	5		ECBDHL
CC(C)OC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000840890699	588974627	/nfs/dbraw/zinc/97/46/27/588974627.db2.gz	TWGICOSPCSULMP-UHFFFAOYSA-N	-2	3	346.317	0.523	20	5		ECBDHL
O=C([O-])C[C@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCOC1	ZINC000819105313	587468839	/nfs/dbraw/zinc/46/88/39/587468839.db2.gz	DWFDOMUZLGFGIP-CYBMUJFWSA-N	-2	3	344.345	0.897	20	5		ECBDHL
O=C([O-])CCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000261801226	165245012	/nfs/dbraw/zinc/24/50/12/165245012.db2.gz	FHPBCXFVINRPAY-UHFFFAOYSA-N	-2	3	346.317	0.509	20	5		ECBDHL
O=C([O-])COCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000093228548	436483706	/nfs/dbraw/zinc/48/37/06/436483706.db2.gz	VSQVXCBWCQWXCI-UHFFFAOYSA-N	-2	3	338.725	0.628	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000548685697	302320249	/nfs/dbraw/zinc/32/02/49/302320249.db2.gz	KACAETUTWQBHBV-ZDUSSCGKSA-N	-2	3	346.361	0.655	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])cc1C	ZINC000274900457	436890861	/nfs/dbraw/zinc/89/08/61/436890861.db2.gz	ICDTUKVEBDMDBP-QMMMGPOBSA-N	-3	3	346.317	0.418	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1C	ZINC000279166589	437380803	/nfs/dbraw/zinc/38/08/03/437380803.db2.gz	CGSYPXHXTAZQTH-UHFFFAOYSA-N	-2	3	342.333	0.409	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000290473227	437492147	/nfs/dbraw/zinc/49/21/47/437492147.db2.gz	FKNMJPWITRZMSA-JTQLQIEISA-N	-2	3	346.361	0.980	20	5		ECBDHL
Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc1=N	ZINC000568300983	439237180	/nfs/dbraw/zinc/23/71/80/439237180.db2.gz	RBVBBKWLOGHXHH-SECBINFHSA-N	-2	3	332.320	0.819	20	5		ECBDHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000582889476	439393821	/nfs/dbraw/zinc/39/38/21/439393821.db2.gz	DOZKLIDZYJJGMJ-MRVPVSSYSA-N	-2	3	346.317	0.198	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC000594719421	439596016	/nfs/dbraw/zinc/59/60/16/439596016.db2.gz	HXGYKYBYVYVCOQ-KOLCDFICSA-N	-2	3	344.345	0.732	20	5		ECBDHL
CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000574163754	322774499	/nfs/dbraw/zinc/77/44/99/322774499.db2.gz	YDIBEPPEXVSXGH-JGVFFNPUSA-N	-2	3	332.334	0.995	20	5		ECBDHL
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1	ZINC000823646788	587736340	/nfs/dbraw/zinc/73/63/40/587736340.db2.gz	AFWDBYQUDHPKNU-UHFFFAOYSA-N	-2	3	347.316	0.971	20	5		ECBDHL
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1	ZINC000823646788	587736342	/nfs/dbraw/zinc/73/63/42/587736342.db2.gz	AFWDBYQUDHPKNU-UHFFFAOYSA-N	-2	3	347.316	0.971	20	5		ECBDHL
O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000834078282	588593285	/nfs/dbraw/zinc/59/32/85/588593285.db2.gz	OXONEOXCHPCRFZ-SECBINFHSA-N	-2	3	329.334	0.873	20	5		ECBDHL
C[C@@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])N(C)C	ZINC000514941686	301624430	/nfs/dbraw/zinc/62/44/30/301624430.db2.gz	GMIZOSYVYWGPLH-QMMMGPOBSA-N	-2	3	331.350	0.521	20	5		ECBDHL
O=C([O-])COCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000093228424	436483892	/nfs/dbraw/zinc/48/38/92/436483892.db2.gz	MHYHYSUMEQKPSW-UHFFFAOYSA-N	-2	3	338.725	0.628	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C(=O)[O-]	ZINC000275086562	436922466	/nfs/dbraw/zinc/92/24/66/436922466.db2.gz	OFSVRCIGWHGPHJ-ZCFIWIBFSA-N	-2	3	332.290	0.133	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c1[N+](=O)[O-]	ZINC000277319539	437209633	/nfs/dbraw/zinc/20/96/33/437209633.db2.gz	UFLWUKDPIHCIBL-VIFPVBQESA-N	-2	3	332.334	0.326	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c([N+](=O)[O-])c1	ZINC000321389448	437210902	/nfs/dbraw/zinc/21/09/02/437210902.db2.gz	WNFUISBEDQJKRG-GFCCVEGCSA-N	-2	3	346.317	0.125	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(=O)[O-])COC2)c1C	ZINC000368409170	438326563	/nfs/dbraw/zinc/32/65/63/438326563.db2.gz	BWYLGLQZCVANCT-UHFFFAOYSA-N	-2	3	330.318	0.344	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000582156699	439296137	/nfs/dbraw/zinc/29/61/37/439296137.db2.gz	PVDNFERBDFGUBX-VIFPVBQESA-N	-2	3	332.334	0.590	20	5		ECBDHL
NC(=O)CCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000572487396	439587960	/nfs/dbraw/zinc/58/79/60/439587960.db2.gz	DOOIGFDEMXPGRI-UHFFFAOYSA-N	-2	3	345.333	0.227	20	5		ECBDHL
CC(C)NC(=O)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000567592727	322588488	/nfs/dbraw/zinc/58/84/88/322588488.db2.gz	DMUBASCQVLXZIV-UHFFFAOYSA-N	-2	3	345.333	0.096	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC2=CCOCC2)c([N+](=O)[O-])c1	ZINC000571688212	322730297	/nfs/dbraw/zinc/73/02/97/322730297.db2.gz	IMAAALQIVUISTA-UHFFFAOYSA-N	-2	3	342.329	0.918	20	5		ECBDHL
O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1	ZINC000834149435	588884959	/nfs/dbraw/zinc/88/49/59/588884959.db2.gz	GFDHXMDEBRURJC-VIFPVBQESA-N	-2	3	329.334	0.919	20	5		ECBDHL
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[N-]OCCC1CC1	ZINC000817379228	587340482	/nfs/dbraw/zinc/34/04/82/587340482.db2.gz	JVGTVAGQJHZMCW-UHFFFAOYSA-N	-2	3	343.361	0.721	20	5		ECBDHL
COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC000275102347	436923061	/nfs/dbraw/zinc/92/30/61/436923061.db2.gz	QTWQXWHQKNQNFB-VIFPVBQESA-N	-2	3	348.333	0.371	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	ZINC000275384310	436961212	/nfs/dbraw/zinc/96/12/12/436961212.db2.gz	ZVPYQLXJOMNSDO-UHFFFAOYSA-N	-2	3	332.334	0.993	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c([N+](=O)[O-])c1	ZINC000321389450	437211884	/nfs/dbraw/zinc/21/18/84/437211884.db2.gz	WNFUISBEDQJKRG-LBPRGKRZSA-N	-2	3	346.317	0.125	20	5		ECBDHL
COCC[C@@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000515854337	438882877	/nfs/dbraw/zinc/88/28/77/438882877.db2.gz	VUKRDFMCGKKGCH-MRVPVSSYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC(=O)[O-])cc1C	ZINC000317525022	320709706	/nfs/dbraw/zinc/70/97/06/320709706.db2.gz	WHFHSHYFWOUECX-UHFFFAOYSA-N	-2	3	332.334	0.591	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000837294857	588948373	/nfs/dbraw/zinc/94/83/73/588948373.db2.gz	NODSTTARZGLGOV-SSDOTTSWSA-N	-2	3	340.260	0.444	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCOCC2)c([N+](=O)[O-])c1	ZINC000844892896	589124757	/nfs/dbraw/zinc/12/47/57/589124757.db2.gz	RHDTXUFKDANGHF-UHFFFAOYSA-N	-2	3	330.318	0.750	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c1[N+](=O)[O-]	ZINC000370312758	300814676	/nfs/dbraw/zinc/81/46/76/300814676.db2.gz	BTOSJTGVBLDZDR-CYBMUJFWSA-N	-2	3	344.345	0.734	20	5		ECBDHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000040700001	436266278	/nfs/dbraw/zinc/26/62/78/436266278.db2.gz	LJZWXGPENFKZMR-ZETCQYMHSA-N	-2	3	338.725	0.362	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)cc1C	ZINC000320997197	437209876	/nfs/dbraw/zinc/20/98/76/437209876.db2.gz	MQUPCJBPXWVPFN-CYBMUJFWSA-N	-2	3	344.345	0.734	20	5		ECBDHL
CC(C)(O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414350681	438703291	/nfs/dbraw/zinc/70/32/91/438703291.db2.gz	UPWALNYWJVCYIK-UHFFFAOYSA-N	-2	3	332.334	0.732	20	5		ECBDHL
CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])OC	ZINC000414342789	438704368	/nfs/dbraw/zinc/70/43/68/438704368.db2.gz	MYPNDAAAWDFJRS-VIFPVBQESA-N	-2	3	332.334	0.996	20	5		ECBDHL
NC(=O)CCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000567740499	439172315	/nfs/dbraw/zinc/17/23/15/439172315.db2.gz	YGXZANZOJSPZNU-UHFFFAOYSA-N	-2	3	345.333	0.227	20	5		ECBDHL
CCCNC(=O)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000568007392	439204504	/nfs/dbraw/zinc/20/45/04/439204504.db2.gz	JYRGXGSGRNAVLJ-UHFFFAOYSA-N	-2	3	345.333	0.098	20	5		ECBDHL
CN(C)C(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000568008066	439204603	/nfs/dbraw/zinc/20/46/03/439204603.db2.gz	IBWQMXUNWMTFPB-UHFFFAOYSA-N	-2	3	345.333	0.050	20	5		ECBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1	ZINC000826499508	588064307	/nfs/dbraw/zinc/06/43/07/588064307.db2.gz	LMIVGBHVUCVXPC-UHFFFAOYSA-N	-2	3	336.293	0.299	20	5		ECBDHL
O=C([O-])c1ccccc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-]	ZINC000833334297	588534836	/nfs/dbraw/zinc/53/48/36/588534836.db2.gz	BBVFMCSXUFPBQI-UHFFFAOYSA-N	-2	3	338.301	0.993	20	5		ECBDHL
CC(C)OC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000863417521	590012666	/nfs/dbraw/zinc/01/26/66/590012666.db2.gz	XLSRIFVTLYTDLV-QMMMGPOBSA-N	-2	3	338.363	0.813	20	5		ECBDHL
O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000355516081	299262994	/nfs/dbraw/zinc/26/29/94/299262994.db2.gz	ZFTMXQRRHNUNMO-AWEZNQCLSA-N	-2	3	334.288	0.115	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c1C	ZINC000274879154	436886182	/nfs/dbraw/zinc/88/61/82/436886182.db2.gz	CFMLXWVFZRYPGY-QMMMGPOBSA-N	-3	3	346.317	0.418	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-]	ZINC000274889573	436888543	/nfs/dbraw/zinc/88/85/43/436888543.db2.gz	FTEKROCZWDXNLF-SSDOTTSWSA-N	-2	3	346.317	0.380	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000274932482	436895409	/nfs/dbraw/zinc/89/54/09/436895409.db2.gz	CPJULVLEDNMYFS-IUCAKERBSA-N	-2	3	342.329	0.911	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000274987480	436904620	/nfs/dbraw/zinc/90/46/20/436904620.db2.gz	KKDFQRDZXZANSL-RKDXNWHRSA-N	-2	3	342.329	0.911	20	5		ECBDHL
COC[C@@](C)([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000328555638	437237007	/nfs/dbraw/zinc/23/70/07/437237007.db2.gz	ZDKJPILBUMTBBF-GFCCVEGCSA-N	-2	3	332.334	0.671	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000290976092	437547779	/nfs/dbraw/zinc/54/77/79/437547779.db2.gz	PMUSXLKJPJCKLO-SECBINFHSA-N	-2	3	348.333	0.371	20	5		ECBDHL
CC(C)(O)CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000575320639	438744505	/nfs/dbraw/zinc/74/45/05/438744505.db2.gz	BWOFJLVMXBMZMZ-UHFFFAOYSA-N	-2	3	332.334	0.732	20	5		ECBDHL
Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])nc1=N	ZINC000588823297	438841988	/nfs/dbraw/zinc/84/19/88/438841988.db2.gz	MPQLLYOESWFSHY-SNVBAGLBSA-N	-2	3	332.320	0.819	20	5		ECBDHL
CC(C)OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000593314022	439365459	/nfs/dbraw/zinc/36/54/59/439365459.db2.gz	DWQRJDJASIETLH-UHFFFAOYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c([N+](=O)[O-])c1	ZINC000593317172	439366581	/nfs/dbraw/zinc/36/65/81/439366581.db2.gz	VSOYARDZWHJGHE-KKZNHRDASA-N	-2	3	342.329	0.891	20	5		ECBDHL
COCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[n-]1	ZINC000594826799	439623008	/nfs/dbraw/zinc/62/30/08/439623008.db2.gz	DXWQBGDXQWVBLU-UHFFFAOYSA-N	-2	3	345.312	0.477	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	ZINC000576752240	322814941	/nfs/dbraw/zinc/81/49/41/322814941.db2.gz	YKZPLJLNTVVHBZ-OCAPTIKFSA-N	-2	3	330.318	0.745	20	5		ECBDHL
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000823118782	587703222	/nfs/dbraw/zinc/70/32/22/587703222.db2.gz	QTXYFLJHJYXLOW-UHFFFAOYSA-N	-2	3	330.264	0.316	20	5		ECBDHL
O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2	ZINC000826501337	588064527	/nfs/dbraw/zinc/06/45/27/588064527.db2.gz	LNMNSTIXTUGILX-UHFFFAOYSA-N	-2	3	340.303	0.833	20	5		ECBDHL
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274991176	263536732	/nfs/dbraw/zinc/53/67/32/263536732.db2.gz	MRWOCTXPLUEIIX-SSDOTTSWSA-N	-3	3	332.290	0.049	20	5		ECBDHL
COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000275033352	263541468	/nfs/dbraw/zinc/54/14/68/263541468.db2.gz	FXXRLKLVYPRNPP-VIFPVBQESA-N	-2	3	348.333	0.371	20	5		ECBDHL
Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])cn1	ZINC000547876471	302274310	/nfs/dbraw/zinc/27/43/10/302274310.db2.gz	BTRJXHSVXNZFJO-SECBINFHSA-N	-2	3	346.346	0.494	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1	ZINC000261681272	436882759	/nfs/dbraw/zinc/88/27/59/436882759.db2.gz	MNPPSSKKYFNLDX-LLVKDONJSA-N	-2	3	332.334	0.991	20	5		ECBDHL
CCn1cc(S(=O)(=O)[N-]Cc2ncccc2[O-])c([N+](=O)[O-])n1	ZINC000360022771	437504617	/nfs/dbraw/zinc/50/46/17/437504617.db2.gz	ITPLYSWYSNESAG-UHFFFAOYSA-N	-2	3	327.322	0.390	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC	ZINC000391116517	438438329	/nfs/dbraw/zinc/43/83/29/438438329.db2.gz	JDINWLIXUMRFER-VIFPVBQESA-N	-2	3	348.333	0.371	20	5		ECBDHL
O=C(NCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc([O-])cc1	ZINC000436624192	438414756	/nfs/dbraw/zinc/41/47/56/438414756.db2.gz	ASKWNRYOIHIVBF-UHFFFAOYSA-N	-2	3	346.299	0.561	20	5		ECBDHL
C[C@]1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCOC1	ZINC000575320694	438744509	/nfs/dbraw/zinc/74/45/09/438744509.db2.gz	FCVCDWRJNVWWRK-CYBMUJFWSA-N	-2	3	344.345	0.998	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]CC2=CCOCC2)c1[N+](=O)[O-]	ZINC000575410200	438748350	/nfs/dbraw/zinc/74/83/50/438748350.db2.gz	LRPYFTRBEUGEIQ-UHFFFAOYSA-N	-2	3	342.329	0.918	20	5		ECBDHL
CCN(C)CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000576587686	438788926	/nfs/dbraw/zinc/78/89/26/438788926.db2.gz	GSUVUDZUPNZXNK-UHFFFAOYSA-N	-2	3	331.350	0.523	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c1	ZINC000593315646	439366939	/nfs/dbraw/zinc/36/69/39/439366939.db2.gz	JPYXKXGFMMQPLT-KKZNHRDASA-N	-2	3	342.329	0.891	20	5		ECBDHL
CCOC(=O)c1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])[n-]1	ZINC000615916570	439808338	/nfs/dbraw/zinc/80/83/38/439808338.db2.gz	DLCMZSKUBJYUMG-UHFFFAOYSA-N	-2	3	335.276	0.525	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000277215580	320588285	/nfs/dbraw/zinc/58/82/85/320588285.db2.gz	HCXVONCILGBXGR-ZCFIWIBFSA-N	-2	3	336.297	0.742	20	5		ECBDHL
COC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000568007285	322609599	/nfs/dbraw/zinc/60/95/99/322609599.db2.gz	FRZIXHPFLHIVNJ-SSDOTTSWSA-N	-2	3	346.317	0.380	20	5		ECBDHL
O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776437983	579281490	/nfs/dbraw/zinc/28/14/90/579281490.db2.gz	PSVDTCNBUFAOFL-QMMMGPOBSA-N	-2	3	346.346	0.354	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCNC(=O)[O-]	ZINC000739870600	579720236	/nfs/dbraw/zinc/72/02/36/579720236.db2.gz	AQKQDUKBPOVMBW-UHFFFAOYSA-N	-2	3	333.322	0.539	20	5		ECBDHL
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[N-]OC1CCC1	ZINC000836799308	588934954	/nfs/dbraw/zinc/93/49/54/588934954.db2.gz	JFKBHSYBHCRXND-UHFFFAOYSA-N	-2	3	329.334	0.473	20	5		ECBDHL
Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])n1	ZINC000826363115	588034512	/nfs/dbraw/zinc/03/45/12/588034512.db2.gz	YEYXWZSABYZSCO-UHFFFAOYSA-N	-2	3	330.264	0.466	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCN(C(=O)[O-])C1	ZINC000213416307	590596251	/nfs/dbraw/zinc/59/62/51/590596251.db2.gz	HFKBGEIAPLOXKT-QMMMGPOBSA-N	-2	3	345.333	0.634	20	5		ECBDHL
COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000275063683	436917378	/nfs/dbraw/zinc/91/73/78/436917378.db2.gz	KCPOFIGRIYZFHT-VIFPVBQESA-N	-2	3	336.297	0.502	20	5		ECBDHL
O=C(C[C@H]1NC(=O)[N-]C1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000351777480	438339331	/nfs/dbraw/zinc/33/93/31/438339331.db2.gz	CKIBYRZAFRUDNI-ZCFIWIBFSA-N	-2	3	328.668	0.490	20	5		ECBDHL
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000447757925	438678353	/nfs/dbraw/zinc/67/83/53/438678353.db2.gz	JWLNIFRJWOHWAG-AWEZNQCLSA-N	-2	3	334.288	0.115	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-]	ZINC000594570419	439577789	/nfs/dbraw/zinc/57/77/89/439577789.db2.gz	BOIZSKLZKGOPJT-MRVPVSSYSA-N	-2	3	336.297	0.695	20	5		ECBDHL
COCc1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[n-]1	ZINC000594828127	439623353	/nfs/dbraw/zinc/62/33/53/439623353.db2.gz	RWYGCIPRILDTJJ-UHFFFAOYSA-N	-2	3	327.322	0.338	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCOC1	ZINC000573835769	322768760	/nfs/dbraw/zinc/76/87/60/322768760.db2.gz	WOEHPEAICOESHH-CYBMUJFWSA-N	-2	3	344.345	0.815	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)CNC(=O)[O-]	ZINC000739872875	579720329	/nfs/dbraw/zinc/72/03/29/579720329.db2.gz	KQXCQELJFKTMHV-UHFFFAOYSA-N	-2	3	347.349	0.928	20	5		ECBDHL
O=c1[n-]c(CCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n[nH]1	ZINC000826501844	588064659	/nfs/dbraw/zinc/06/46/59/588064659.db2.gz	JLMJUDVXPNSCKZ-UHFFFAOYSA-N	-2	3	331.296	0.643	20	5		ECBDHL
COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000158601316	296709499	/nfs/dbraw/zinc/70/94/99/296709499.db2.gz	WZPBTROVJJTYLF-ZETCQYMHSA-N	-2	3	338.725	0.626	20	5		ECBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000274991207	263537188	/nfs/dbraw/zinc/53/71/88/263537188.db2.gz	ZFIHPQOUACVTLW-SSDOTTSWSA-N	-2	3	338.725	0.280	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	ZINC000282835495	264064658	/nfs/dbraw/zinc/06/46/58/264064658.db2.gz	MTIXKXYHFJEFQA-UHFFFAOYSA-N	-2	3	330.318	0.889	20	5		ECBDHL
O=C([N-]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000116818148	436652895	/nfs/dbraw/zinc/65/28/95/436652895.db2.gz	ZXQRJBMTHFBXTD-UHFFFAOYSA-N	-2	3	341.267	0.552	20	5		ECBDHL
C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCOC1	ZINC000581670626	439240834	/nfs/dbraw/zinc/24/08/34/439240834.db2.gz	MSALZMVUGWEHMX-ZDUSSCGKSA-N	-2	3	344.345	0.998	20	5		ECBDHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCOC1	ZINC000316183608	320707051	/nfs/dbraw/zinc/70/70/51/320707051.db2.gz	YWYPBOBPWYQXKU-LLVKDONJSA-N	-2	3	334.281	0.256	20	5		ECBDHL
O=C(CN1CC(=O)[N-]C1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000349671230	321312307	/nfs/dbraw/zinc/31/23/07/321312307.db2.gz	SWJFWUSDSJPEBB-UHFFFAOYSA-N	-2	3	328.668	0.444	20	5		ECBDHL
CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000578197528	322857805	/nfs/dbraw/zinc/85/78/05/322857805.db2.gz	OCGKDOMOJFLENH-HTQZYQBOSA-N	-2	3	332.334	0.995	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000739931658	579722869	/nfs/dbraw/zinc/72/28/69/579722869.db2.gz	FZSYRRHUJGDLGH-UHFFFAOYSA-N	-2	3	331.306	0.244	20	5		ECBDHL
Cc1sc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548529750	302306987	/nfs/dbraw/zinc/30/69/87/302306987.db2.gz	MDFPPBVRONMPMU-YFKPBYRVSA-N	-3	3	338.319	0.171	20	5		ECBDHL
COCC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275023051	436911691	/nfs/dbraw/zinc/91/16/91/436911691.db2.gz	DRMQYGLBSSNSRF-SECBINFHSA-N	-2	3	332.334	0.671	20	5		ECBDHL
COCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275157492	436932049	/nfs/dbraw/zinc/93/20/49/436932049.db2.gz	ZMXPYFYVUOOKPI-SNVBAGLBSA-N	-2	3	346.361	0.980	20	5		ECBDHL
CCn1cnnc1C[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000318831204	437199491	/nfs/dbraw/zinc/19/94/91/437199491.db2.gz	SKLMAUAUSMYXRC-UHFFFAOYSA-N	-2	3	327.322	0.390	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1[N+](=O)[O-]	ZINC000277246497	437204409	/nfs/dbraw/zinc/20/44/09/437204409.db2.gz	KYIQVEZDAMFHOP-MRVPVSSYSA-N	-3	3	346.317	0.418	20	5		ECBDHL
COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000358938403	438332631	/nfs/dbraw/zinc/33/26/31/438332631.db2.gz	FGXYBWFJPJDMEI-UHFFFAOYSA-N	-2	3	341.305	0.229	20	5		ECBDHL
COC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000387758680	438422373	/nfs/dbraw/zinc/42/23/73/438422373.db2.gz	UDUFUZPXXLYFLW-VIFPVBQESA-N	-2	3	332.334	0.590	20	5		ECBDHL
COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000387758662	438422566	/nfs/dbraw/zinc/42/25/66/438422566.db2.gz	UDUFUZPXXLYFLW-SECBINFHSA-N	-2	3	332.334	0.590	20	5		ECBDHL
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000447757926	438677699	/nfs/dbraw/zinc/67/76/99/438677699.db2.gz	JWLNIFRJWOHWAG-CQSZACIVSA-N	-2	3	334.288	0.115	20	5		ECBDHL
Cn1[n-]c([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])nc1=N	ZINC000583635622	439493466	/nfs/dbraw/zinc/49/34/66/439493466.db2.gz	OQTNXOZIPWMXGF-SNVBAGLBSA-N	-2	3	332.320	0.819	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-]	ZINC000580141830	322916596	/nfs/dbraw/zinc/91/65/96/322916596.db2.gz	WHRRIILVBUAEDZ-SSDOTTSWSA-N	-2	3	338.363	0.733	20	5		ECBDHL
O=C([O-])c1cc(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc([N+](=O)[O-])c1	ZINC000739236292	579677070	/nfs/dbraw/zinc/67/70/70/579677070.db2.gz	QLVBGMFVGSZTOK-SECBINFHSA-N	-2	3	336.260	0.220	20	5		ECBDHL
CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000270431627	263242725	/nfs/dbraw/zinc/24/27/25/263242725.db2.gz	IBWIVRGVYWSMOE-SSDOTTSWSA-N	-2	3	346.317	0.508	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000274935730	263527422	/nfs/dbraw/zinc/52/74/22/263527422.db2.gz	DFVVKHXIGUBUCF-QMMMGPOBSA-N	-2	3	332.334	0.993	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000277215578	437200446	/nfs/dbraw/zinc/20/04/46/437200446.db2.gz	HCXVONCILGBXGR-LURJTMIESA-N	-2	3	336.297	0.742	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c1[N+](=O)[O-]	ZINC000277246498	437205458	/nfs/dbraw/zinc/20/54/58/437205458.db2.gz	KYIQVEZDAMFHOP-QMMMGPOBSA-N	-3	3	346.317	0.418	20	5		ECBDHL
CS(=O)(=O)c1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n[n-]1	ZINC000338116761	437390224	/nfs/dbraw/zinc/39/02/24/437390224.db2.gz	UFXNCMKYNDPVRP-UHFFFAOYSA-N	-2	3	329.269	0.508	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-]	ZINC000589546196	438876508	/nfs/dbraw/zinc/87/65/08/438876508.db2.gz	IIYJJLWUKLZOPN-QMMMGPOBSA-N	-2	3	348.333	0.371	20	5		ECBDHL
CC(=O)NCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000579480216	439013464	/nfs/dbraw/zinc/01/34/64/439013464.db2.gz	AKIKQKKBVAPGAF-UHFFFAOYSA-N	-2	3	345.333	0.098	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000594720547	439595614	/nfs/dbraw/zinc/59/56/14/439595614.db2.gz	PHRONSVQRBVNQC-KCJUWKMLSA-N	-2	3	346.317	0.124	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC000316167343	320707101	/nfs/dbraw/zinc/70/71/01/320707101.db2.gz	XLCWLPAJTJPWJX-GFCCVEGCSA-N	-2	3	330.318	0.425	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]CCC2(O)CCC2)c1[N+](=O)[O-]	ZINC000570636448	322694184	/nfs/dbraw/zinc/69/41/84/322694184.db2.gz	PQFFSMOILKMQSS-UHFFFAOYSA-N	-2	3	344.345	0.876	20	5		ECBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1	ZINC000776525975	579283031	/nfs/dbraw/zinc/28/30/31/579283031.db2.gz	MXAHHXDZEBAERZ-GFCCVEGCSA-N	-2	3	344.345	0.753	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCN(C(=O)[O-])C1	ZINC000740174135	579731425	/nfs/dbraw/zinc/73/14/25/579731425.db2.gz	HTEHGKQMRCCUKW-SECBINFHSA-N	-2	3	329.334	0.934	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCN(C(=O)[O-])C1	ZINC000740174137	579731430	/nfs/dbraw/zinc/73/14/30/579731430.db2.gz	HTEHGKQMRCCUKW-VIFPVBQESA-N	-2	3	329.334	0.934	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C2CCOCC2)c1[N+](=O)[O-]	ZINC000844892915	589124716	/nfs/dbraw/zinc/12/47/16/589124716.db2.gz	SHPUQFDPTRJPHK-UHFFFAOYSA-N	-2	3	330.318	0.750	20	5		ECBDHL
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000447751500	211204548	/nfs/dbraw/zinc/20/45/48/211204548.db2.gz	RNALZMBFNNDZEJ-AWEZNQCLSA-N	-2	3	334.288	0.115	20	5		ECBDHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCSC1	ZINC000043511594	436331441	/nfs/dbraw/zinc/33/14/41/436331441.db2.gz	ZAGMEBCGSYOJDP-NSHDSACASA-N	-2	3	332.359	0.833	20	5		ECBDHL
Cc1sc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548533962	302307400	/nfs/dbraw/zinc/30/74/00/302307400.db2.gz	MDFPPBVRONMPMU-RXMQYKEDSA-N	-3	3	338.319	0.171	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)cc1C	ZINC000275027815	436912414	/nfs/dbraw/zinc/91/24/14/436912414.db2.gz	FCVAVMUMNBTWQM-KCJUWKMLSA-N	-2	3	332.334	0.324	20	5		ECBDHL
COCC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275023058	436911505	/nfs/dbraw/zinc/91/15/05/436911505.db2.gz	DRMQYGLBSSNSRF-VIFPVBQESA-N	-2	3	332.334	0.671	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000317360879	437192843	/nfs/dbraw/zinc/19/28/43/437192843.db2.gz	BYOILFHJHBZJLL-HTQZYQBOSA-N	-2	3	332.334	0.991	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-]	ZINC000317864411	437194485	/nfs/dbraw/zinc/19/44/85/437194485.db2.gz	PRZUTFIPJVTQDT-HTQZYQBOSA-N	-2	3	332.334	0.991	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000290455453	437488117	/nfs/dbraw/zinc/48/81/17/437488117.db2.gz	DAUXYSPUBDJKNH-VIFPVBQESA-N	-2	3	332.334	0.671	20	5		ECBDHL
COC[C@](C)([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000571400457	439499192	/nfs/dbraw/zinc/49/91/92/439499192.db2.gz	ORQMLDVADRPFLJ-ZDUSSCGKSA-N	-2	3	346.361	0.980	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-]	ZINC000594570420	439578578	/nfs/dbraw/zinc/57/85/78/439578578.db2.gz	BOIZSKLZKGOPJT-QMMMGPOBSA-N	-2	3	336.297	0.695	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000290724668	320688283	/nfs/dbraw/zinc/68/82/83/320688283.db2.gz	VLOZMLXWLADMQC-JTQLQIEISA-N	-2	3	346.361	0.980	20	5		ECBDHL
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000569689645	322661585	/nfs/dbraw/zinc/66/15/85/322661585.db2.gz	OTPTVQXOKGFAMP-LBPRGKRZSA-N	-2	3	332.334	0.753	20	5		ECBDHL
CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000580317431	322922102	/nfs/dbraw/zinc/92/21/02/322922102.db2.gz	YDIBEPPEXVSXGH-SFYZADRCSA-N	-2	3	332.334	0.995	20	5		ECBDHL
C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000261748606	299329790	/nfs/dbraw/zinc/32/97/90/299329790.db2.gz	WBKSNLNRZKSMGN-LURJTMIESA-N	-2	3	332.290	0.117	20	5		ECBDHL
COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000275063682	201275458	/nfs/dbraw/zinc/27/54/58/201275458.db2.gz	KCPOFIGRIYZFHT-SECBINFHSA-N	-2	3	336.297	0.502	20	5		ECBDHL
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-]	ZINC000417421370	292018081	/nfs/dbraw/zinc/01/80/81/292018081.db2.gz	MCZHODMLJIMJKI-ZETCQYMHSA-N	-2	3	346.317	0.523	20	5		ECBDHL
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000294442744	436955064	/nfs/dbraw/zinc/95/50/64/436955064.db2.gz	XWJSRZRCLVVYJI-SSDOTTSWSA-N	-2	3	334.292	0.127	20	5		ECBDHL
Cc1sc(C(=O)[N-]c2n[n-]c(S(C)(=O)=O)n2)cc1[N+](=O)[O-]	ZINC000352794565	438477173	/nfs/dbraw/zinc/47/71/73/438477173.db2.gz	MVXRRVWTAQGYQF-UHFFFAOYSA-N	-2	3	331.335	0.739	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2=CCOCC2)c1	ZINC000414323183	438702570	/nfs/dbraw/zinc/70/25/70/438702570.db2.gz	GVDMCOFUXSYGRS-UHFFFAOYSA-N	-2	3	342.329	0.918	20	5		ECBDHL
CC(C)OCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000593315549	439366796	/nfs/dbraw/zinc/36/67/96/439366796.db2.gz	ZXNXTOUJLVFQCY-UHFFFAOYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	ZINC000583867280	439520939	/nfs/dbraw/zinc/52/09/39/439520939.db2.gz	YKZPLJLNTVVHBZ-ZKCHVHJHSA-N	-2	3	330.318	0.745	20	5		ECBDHL
Cn1[n-]c([C@H]2CCCN2C(=O)c2cccc([O-])c2[N+](=O)[O-])nc1=N	ZINC000572652085	439599376	/nfs/dbraw/zinc/59/93/76/439599376.db2.gz	HXQUDFUTQVPLHJ-SECBINFHSA-N	-2	3	332.320	0.819	20	5		ECBDHL
CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277201755	320587611	/nfs/dbraw/zinc/58/76/11/320587611.db2.gz	FNKFGNXMGJVQHA-MRVPVSSYSA-N	-2	3	336.297	0.884	20	5		ECBDHL
CC(=O)NCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000568007267	322609622	/nfs/dbraw/zinc/60/96/22/322609622.db2.gz	FFCONXRGVNDIJV-UHFFFAOYSA-N	-2	3	345.333	0.098	20	5		ECBDHL
COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000570336669	322684572	/nfs/dbraw/zinc/68/45/72/322684572.db2.gz	VILUJPFGVUEQAK-SSDOTTSWSA-N	-2	3	346.317	0.380	20	5		ECBDHL
COC[C@@](C)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000572638233	322748461	/nfs/dbraw/zinc/74/84/61/322748461.db2.gz	WHXWINODMBXLBP-CYBMUJFWSA-N	-2	3	346.361	0.980	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000619470843	546330092	/nfs/dbraw/zinc/33/00/92/546330092.db2.gz	ZIVUIZHRLFDADL-RKDXNWHRSA-N	-2	3	342.329	0.911	20	5		ECBDHL
O=C([O-])NC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1	ZINC000740614853	579755708	/nfs/dbraw/zinc/75/57/08/579755708.db2.gz	TVLJDCLGSPRYFT-VIFPVBQESA-N	-2	3	329.334	0.919	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000274931575	201273595	/nfs/dbraw/zinc/27/35/95/201273595.db2.gz	CPJULVLEDNMYFS-BDAKNGLRSA-N	-2	3	342.329	0.911	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000274987475	201274152	/nfs/dbraw/zinc/27/41/52/201274152.db2.gz	KKDFQRDZXZANSL-DTWKUNHWSA-N	-2	3	342.329	0.911	20	5		ECBDHL
O=C([O-])CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000275058736	436917810	/nfs/dbraw/zinc/91/78/10/436917810.db2.gz	UHGSPEUCAWKFTK-UHFFFAOYSA-N	-2	3	338.338	0.830	20	5		ECBDHL
CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000277063019	437189934	/nfs/dbraw/zinc/18/99/34/437189934.db2.gz	MPEKPFAZYLNLGI-UHFFFAOYSA-N	-2	3	347.349	0.195	20	5		ECBDHL
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C(=O)[O-]	ZINC000417417245	438048445	/nfs/dbraw/zinc/04/84/45/438048445.db2.gz	AHCZWHHYSHKJFW-ZCFIWIBFSA-N	-2	3	332.290	0.133	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000584837945	439621267	/nfs/dbraw/zinc/62/12/67/439621267.db2.gz	MQJLLNHOUVTLMU-OCAPTIKFSA-N	-2	3	330.318	0.745	20	5		ECBDHL
O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000618359531	440113192	/nfs/dbraw/zinc/11/31/92/440113192.db2.gz	CTGXWTZUXCUBJO-NSHDSACASA-N	-2	3	341.287	0.728	20	5		ECBDHL
O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000618359531	440113199	/nfs/dbraw/zinc/11/31/99/440113199.db2.gz	CTGXWTZUXCUBJO-NSHDSACASA-N	-2	3	341.287	0.728	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(=O)[O-]	ZINC000318225238	320710449	/nfs/dbraw/zinc/71/04/49/320710449.db2.gz	GPRANFYKKKBMDN-MRVPVSSYSA-N	-2	3	336.297	0.502	20	5		ECBDHL
COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-]	ZINC000578577553	322868232	/nfs/dbraw/zinc/86/82/32/322868232.db2.gz	ZJWNYKPVTMUMQV-ZETCQYMHSA-N	-2	3	338.363	0.733	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-]C/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000788446044	578837479	/nfs/dbraw/zinc/83/74/79/578837479.db2.gz	IONZCKGINNELMP-NSCUHMNNSA-N	-2	3	334.281	0.662	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000274935729	201273091	/nfs/dbraw/zinc/27/30/91/201273091.db2.gz	DFVVKHXIGUBUCF-MRVPVSSYSA-N	-2	3	332.334	0.993	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1CCOCC1	ZINC000274936999	263527939	/nfs/dbraw/zinc/52/79/39/263527939.db2.gz	QCWBDCDWFOFBQN-UHFFFAOYSA-N	-2	3	331.306	0.282	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000323048755	437221293	/nfs/dbraw/zinc/22/12/93/437221293.db2.gz	FXUSIKZDKKBOPX-JTQLQIEISA-N	-2	3	346.361	0.980	20	5		ECBDHL
O=C(Nc1nnc(SCCO)[n-]1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000343897670	437689096	/nfs/dbraw/zinc/68/90/96/437689096.db2.gz	OAHASOSPCYMAGP-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
O=C(Nc1nc(SCCO)n[n-]1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000343897670	437689101	/nfs/dbraw/zinc/68/91/01/437689101.db2.gz	OAHASOSPCYMAGP-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
O=C(Nc1n[n-]c(SCCO)n1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000343897670	437689109	/nfs/dbraw/zinc/68/91/09/437689109.db2.gz	OAHASOSPCYMAGP-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1	ZINC000414343619	438703674	/nfs/dbraw/zinc/70/36/74/438703674.db2.gz	QNXJUCSLTUKJBC-NSHDSACASA-N	-2	3	344.345	0.996	20	5		ECBDHL
COCCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000516871085	438932606	/nfs/dbraw/zinc/93/26/06/438932606.db2.gz	YBECHZBVYIOAKT-UHFFFAOYSA-N	-2	3	332.334	0.998	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1	ZINC000566918628	439099870	/nfs/dbraw/zinc/09/98/70/439099870.db2.gz	LRVCYKICPCUQBD-LLVKDONJSA-N	-2	3	344.345	0.996	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000594720012	439595527	/nfs/dbraw/zinc/59/55/27/439595527.db2.gz	MVVVKCMSQAHWFK-XCBNKYQSSA-N	-2	3	346.317	0.124	20	5		ECBDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000566316962	322524148	/nfs/dbraw/zinc/52/41/48/322524148.db2.gz	ACJBDHWBLLWPHB-PSASIEDQSA-N	-2	3	344.345	0.996	20	5		ECBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCOC1	ZINC000776504918	579282671	/nfs/dbraw/zinc/28/26/71/579282671.db2.gz	WWSLOEPIGTULRA-RCOVLWMOSA-N	-2	3	336.347	0.424	20	5		ECBDHL
O=C([O-])CSCC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776616625	579286370	/nfs/dbraw/zinc/28/63/70/579286370.db2.gz	UVEGOIPKHXPBPU-UHFFFAOYSA-N	-2	3	326.377	0.752	20	5		ECBDHL
O=C([O-])c1cc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc([N+](=O)[O-])c1	ZINC000739236293	579677063	/nfs/dbraw/zinc/67/70/63/579677063.db2.gz	QLVBGMFVGSZTOK-VIFPVBQESA-N	-2	3	336.260	0.220	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]CCCNC(=O)[O-])c([N+](=O)[O-])c1	ZINC000739934256	579722895	/nfs/dbraw/zinc/72/28/95/579722895.db2.gz	YZSFSBQJDAPGPD-UHFFFAOYSA-N	-2	3	333.322	0.539	20	5		ECBDHL
COC(C)(C)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000844884922	589124341	/nfs/dbraw/zinc/12/43/41/589124341.db2.gz	BOUZLDHOLJLVJI-UHFFFAOYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
COCc1nc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[n-]1	ZINC000849437619	589334435	/nfs/dbraw/zinc/33/44/35/589334435.db2.gz	HVKMMRROYSWFAR-UHFFFAOYSA-N	-2	3	333.351	0.399	20	5		ECBDHL
C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000261748607	296138623	/nfs/dbraw/zinc/13/86/23/296138623.db2.gz	WBKSNLNRZKSMGN-ZCFIWIBFSA-N	-2	3	332.290	0.117	20	5		ECBDHL
O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000322934930	437219077	/nfs/dbraw/zinc/21/90/77/437219077.db2.gz	LHSVFCAVUIURAH-SECBINFHSA-N	-2	3	340.317	0.292	20	5		ECBDHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000393632742	438444081	/nfs/dbraw/zinc/44/40/81/438444081.db2.gz	KKLWBWVBESEWSH-MRVPVSSYSA-N	-2	3	346.317	0.198	20	5		ECBDHL
COCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000593313026	439365236	/nfs/dbraw/zinc/36/52/36/439365236.db2.gz	UNWGLCAWRBTAOB-UHFFFAOYSA-N	-2	3	332.334	0.998	20	5		ECBDHL
COC[C@@](C)([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000571400453	439498931	/nfs/dbraw/zinc/49/89/31/439498931.db2.gz	ORQMLDVADRPFLJ-CYBMUJFWSA-N	-2	3	346.361	0.980	20	5		ECBDHL
CC[C@H](COC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000584176623	439558905	/nfs/dbraw/zinc/55/89/05/439558905.db2.gz	PDKSFZKSWOMIHV-SECBINFHSA-N	-2	3	332.334	0.996	20	5		ECBDHL
CC[C@@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])OC	ZINC000572846376	439611688	/nfs/dbraw/zinc/61/16/88/439611688.db2.gz	YAMBWYWHTCIUFI-QMMMGPOBSA-N	-2	3	332.334	0.996	20	5		ECBDHL
COC[C@](C)([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000328562849	320723275	/nfs/dbraw/zinc/72/32/75/320723275.db2.gz	INDVHCFUYZONNM-ZDUSSCGKSA-N	-2	3	346.361	0.980	20	5		ECBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCOC1	ZINC000776504917	579282648	/nfs/dbraw/zinc/28/26/48/579282648.db2.gz	WWSLOEPIGTULRA-MUWHJKNJSA-N	-2	3	336.347	0.424	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CN(C(=O)[O-])C1	ZINC000739871296	579720344	/nfs/dbraw/zinc/72/03/44/579720344.db2.gz	FCIOJVJRJBTFNL-UHFFFAOYSA-N	-2	3	331.306	0.244	20	5		ECBDHL
O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000823380092	587718919	/nfs/dbraw/zinc/71/89/19/587718919.db2.gz	PWPOKMLTJKLQGB-UHFFFAOYSA-N	-2	3	334.277	0.584	20	5		ECBDHL
O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000823380092	587718920	/nfs/dbraw/zinc/71/89/20/587718920.db2.gz	PWPOKMLTJKLQGB-UHFFFAOYSA-N	-2	3	334.277	0.584	20	5		ECBDHL
Cc1oc(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)cc1C(=O)[O-]	ZINC000833027671	588515042	/nfs/dbraw/zinc/51/50/42/588515042.db2.gz	WZGMONCMQZHRCK-UHFFFAOYSA-N	-2	3	344.305	0.369	20	5		ECBDHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc[nH]n1	ZINC000355474785	299256823	/nfs/dbraw/zinc/25/68/23/299256823.db2.gz	WBZAZNBZDJQZMJ-LURJTMIESA-N	-2	3	341.305	0.451	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000274987477	201274288	/nfs/dbraw/zinc/27/42/88/201274288.db2.gz	KKDFQRDZXZANSL-IUCAKERBSA-N	-2	3	342.329	0.911	20	5		ECBDHL
COCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414324475	292624913	/nfs/dbraw/zinc/62/49/13/292624913.db2.gz	VYSYSPHHNQCPAS-MRVPVSSYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000040700044	436267330	/nfs/dbraw/zinc/26/73/30/436267330.db2.gz	ZCSIUJHCCWVFIM-MRVPVSSYSA-N	-2	3	338.725	0.362	20	5		ECBDHL
C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000090277001	436430854	/nfs/dbraw/zinc/43/08/54/436430854.db2.gz	SWUJMRPCIKMAJB-SNVBAGLBSA-N	-2	3	338.725	0.362	20	5		ECBDHL
COCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000547878109	302274219	/nfs/dbraw/zinc/27/42/19/302274219.db2.gz	ZGUWMTJKYVWUCM-SECBINFHSA-N	-2	3	332.334	0.671	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-]	ZINC000274997116	436908038	/nfs/dbraw/zinc/90/80/38/436908038.db2.gz	LIIOITBQAFWISF-MRVPVSSYSA-N	-2	3	332.334	0.993	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CC1	ZINC000315855998	437183254	/nfs/dbraw/zinc/18/32/54/437183254.db2.gz	JUVMXFCTUGXPNW-LLVKDONJSA-N	-2	3	330.318	0.745	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]CC2=CCCOC2)c1[N+](=O)[O-]	ZINC000579840253	439042235	/nfs/dbraw/zinc/04/22/35/439042235.db2.gz	PYQBUZQQCDAFJS-UHFFFAOYSA-N	-2	3	342.329	0.918	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000582156698	439296773	/nfs/dbraw/zinc/29/67/73/439296773.db2.gz	PVDNFERBDFGUBX-SECBINFHSA-N	-2	3	332.334	0.590	20	5		ECBDHL
CCN(C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000593309097	439365520	/nfs/dbraw/zinc/36/55/20/439365520.db2.gz	SUEPXFWQSJHEHI-UHFFFAOYSA-N	-2	3	331.350	0.523	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-]	ZINC000594573614	439578494	/nfs/dbraw/zinc/57/84/94/439578494.db2.gz	OSSQJNJHTFEGNH-MRVPVSSYSA-N	-2	3	336.297	0.695	20	5		ECBDHL
Cc1sc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)cc1[N+](=O)[O-]	ZINC000352893836	321375385	/nfs/dbraw/zinc/37/53/85/321375385.db2.gz	QAQQYZXUUMKYCW-UHFFFAOYSA-N	-2	3	334.335	0.162	20	5		ECBDHL
O=C(OCCNc1ncccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])[n-]1	ZINC000738224425	579612775	/nfs/dbraw/zinc/61/27/75/579612775.db2.gz	PZLSYDUNEZXQAN-UHFFFAOYSA-N	-2	3	344.291	0.767	20	5		ECBDHL
O=C(OCCNc1ncccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])[n-]1	ZINC000738224425	579612777	/nfs/dbraw/zinc/61/27/77/579612777.db2.gz	PZLSYDUNEZXQAN-UHFFFAOYSA-N	-2	3	344.291	0.767	20	5		ECBDHL
O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1	ZINC000740614852	579755641	/nfs/dbraw/zinc/75/56/41/579755641.db2.gz	TVLJDCLGSPRYFT-SECBINFHSA-N	-2	3	329.334	0.919	20	5		ECBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)s1	ZINC000826499704	588063879	/nfs/dbraw/zinc/06/38/79/588063879.db2.gz	SYTUEUOLRUMJIK-UHFFFAOYSA-N	-2	3	342.322	0.360	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000275350004	201280546	/nfs/dbraw/zinc/28/05/46/201280546.db2.gz	WGEFSPAZSWSNEZ-UHFFFAOYSA-N	-2	3	332.334	0.993	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c1C	ZINC000274991139	263536747	/nfs/dbraw/zinc/53/67/47/263536747.db2.gz	ZCTAXEKSKTYENG-SECBINFHSA-N	-2	3	332.334	0.326	20	5		ECBDHL
COCC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275076101	263546458	/nfs/dbraw/zinc/54/64/58/263546458.db2.gz	MFVULCHPOYELCG-SNVBAGLBSA-N	-2	3	346.361	0.980	20	5		ECBDHL
O=C([O-])[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1c[nH]cn1	ZINC000547888472	302275138	/nfs/dbraw/zinc/27/51/38/302275138.db2.gz	KARMKQVTNPWISD-SNVBAGLBSA-N	-2	3	340.317	0.292	20	5		ECBDHL
CCCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414313496	438701831	/nfs/dbraw/zinc/70/18/31/438701831.db2.gz	BTSZXDGZMVHFNS-UHFFFAOYSA-N	-2	3	345.333	0.098	20	5		ECBDHL
CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000578197529	438904737	/nfs/dbraw/zinc/90/47/37/438904737.db2.gz	OCGKDOMOJFLENH-SFYZADRCSA-N	-2	3	332.334	0.995	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1	ZINC000593273863	439360649	/nfs/dbraw/zinc/36/06/49/439360649.db2.gz	ACQKJYIEPXFJIB-UHFFFAOYSA-N	-2	3	330.318	0.889	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]CCOCC(=O)[O-])c1[N+](=O)[O-]	ZINC000582999405	439407531	/nfs/dbraw/zinc/40/75/31/439407531.db2.gz	ALQPBTNVRDZEMH-UHFFFAOYSA-N	-2	3	332.334	0.591	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-]	ZINC000594573185	439577414	/nfs/dbraw/zinc/57/74/14/439577414.db2.gz	JBFUCNOJVPICMB-SSDOTTSWSA-N	-2	3	336.297	0.695	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C(=O)[O-])cc1C	ZINC000594721723	439597417	/nfs/dbraw/zinc/59/74/17/439597417.db2.gz	YQDAJHPBYTXGDP-SKDRFNHKSA-N	-2	3	344.345	0.732	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-]	ZINC000317864413	320710176	/nfs/dbraw/zinc/71/01/76/320710176.db2.gz	PRZUTFIPJVTQDT-SFYZADRCSA-N	-2	3	332.334	0.991	20	5		ECBDHL
Cn1[n-]c([C@H]2CCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1=N	ZINC000563267114	322307427	/nfs/dbraw/zinc/30/74/27/322307427.db2.gz	FETNWFGTYAXDTB-LLVKDONJSA-N	-2	3	332.320	0.819	20	5		ECBDHL
COC(=O)c1cc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)cc([N+](=O)[O-])c1	ZINC000737648283	578514329	/nfs/dbraw/zinc/51/43/29/578514329.db2.gz	CYVFZJGWGJHACP-UHFFFAOYSA-N	-2	3	349.259	0.379	20	5		ECBDHL
O=C([N-]n1c(=O)[n-][nH]c1=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000820283049	587524005	/nfs/dbraw/zinc/52/40/05/587524005.db2.gz	RZXOWTRIZNQCNC-UHFFFAOYSA-N	-2	3	331.248	0.167	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)NC(=O)[O-]	ZINC000829516424	588328104	/nfs/dbraw/zinc/32/81/04/588328104.db2.gz	RLCPPCDLXNDPKU-UHFFFAOYSA-N	-2	3	347.349	0.928	20	5		ECBDHL
O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000356997245	299492308	/nfs/dbraw/zinc/49/23/08/299492308.db2.gz	LQRHMUAJYSMMRU-UHFFFAOYSA-N	-2	3	343.259	0.629	20	5		ECBDHL
O=C([O-])C1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	ZINC000282776754	264061723	/nfs/dbraw/zinc/06/17/23/264061723.db2.gz	IFBIDCKUCYFQRL-UHFFFAOYSA-N	-2	3	344.301	0.262	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000318767617	437198030	/nfs/dbraw/zinc/19/80/30/437198030.db2.gz	AUADKMXFCKGZOM-SNVBAGLBSA-N	-2	3	332.334	0.590	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000321872787	437214084	/nfs/dbraw/zinc/21/40/84/437214084.db2.gz	ARDWOVXBMCQPPK-DTWKUNHWSA-N	-2	3	342.329	0.911	20	5		ECBDHL
O=C([O-])/C=C/C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000278745172	437338404	/nfs/dbraw/zinc/33/84/04/437338404.db2.gz	QORTYZIWZJKAAY-OWOJBTEDSA-N	-2	3	344.301	0.285	20	5		ECBDHL
CC(C)(O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000516574237	438914574	/nfs/dbraw/zinc/91/45/74/438914574.db2.gz	MISMRUKWLMVIMS-UHFFFAOYSA-N	-2	3	332.334	0.732	20	5		ECBDHL
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CO1	ZINC000568008287	439203958	/nfs/dbraw/zinc/20/39/58/439203958.db2.gz	SVLZFKDWNUNRPE-APPZFPTMSA-N	-2	3	330.318	0.749	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c([N+](=O)[O-])c1	ZINC000547874208	322141137	/nfs/dbraw/zinc/14/11/37/322141137.db2.gz	RFZZXQYTUYSFRT-ZETCQYMHSA-N	-3	3	332.290	0.109	20	5		ECBDHL
Cn1[n-]c([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])nc1=N	ZINC000555534000	322182575	/nfs/dbraw/zinc/18/25/75/322182575.db2.gz	MGIRBGVLJAJUQG-SNVBAGLBSA-N	-2	3	332.320	0.819	20	5		ECBDHL
COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-]	ZINC000578577552	322868070	/nfs/dbraw/zinc/86/80/70/322868070.db2.gz	ZJWNYKPVTMUMQV-SSDOTTSWSA-N	-2	3	338.363	0.733	20	5		ECBDHL
COC(=O)Cc1n[n-]c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000737630191	578513739	/nfs/dbraw/zinc/51/37/39/578513739.db2.gz	AFCAYMIYPALFEA-UHFFFAOYSA-N	-2	3	349.259	0.379	20	5		ECBDHL
COC(=O)Cc1nnc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[n-]1	ZINC000737630191	578513740	/nfs/dbraw/zinc/51/37/40/578513740.db2.gz	AFCAYMIYPALFEA-UHFFFAOYSA-N	-2	3	349.259	0.379	20	5		ECBDHL
COC(=O)Cc1nc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n[n-]1	ZINC000737630191	578513741	/nfs/dbraw/zinc/51/37/41/578513741.db2.gz	AFCAYMIYPALFEA-UHFFFAOYSA-N	-2	3	349.259	0.379	20	5		ECBDHL
O=c1[n-]c(CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n[nH]1	ZINC000823664706	587736925	/nfs/dbraw/zinc/73/69/25/587736925.db2.gz	CQJGLYNNVLGWMN-UHFFFAOYSA-N	-2	3	332.284	0.038	20	5		ECBDHL
O=c1[n-]c(CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n[nH]1	ZINC000823664706	587736926	/nfs/dbraw/zinc/73/69/26/587736926.db2.gz	CQJGLYNNVLGWMN-UHFFFAOYSA-N	-2	3	332.284	0.038	20	5		ECBDHL
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000826366506	588035964	/nfs/dbraw/zinc/03/59/64/588035964.db2.gz	LNAYQGAGRCCEHI-UHFFFAOYSA-N	-2	3	330.264	0.466	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-]	ZINC000863411435	590012016	/nfs/dbraw/zinc/01/20/16/590012016.db2.gz	XWWQHIUBZDSFDO-SECBINFHSA-N	-2	3	346.317	0.314	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-]	ZINC000863411436	590012029	/nfs/dbraw/zinc/01/20/29/590012029.db2.gz	XWWQHIUBZDSFDO-VIFPVBQESA-N	-2	3	346.317	0.314	20	5		ECBDHL
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1[O-]	ZINC001059188266	745075612	/nfs/dbraw/zinc/07/56/12/745075612.db2.gz	CBWQDUQWJHLXNZ-ZKCHVHJHSA-N	-2	3	348.319	0.805	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000298861985	302047954	/nfs/dbraw/zinc/04/79/54/302047954.db2.gz	PDUNSGAZGQCVBN-QMMMGPOBSA-N	-3	3	346.317	0.500	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c1C	ZINC000374442898	438208953	/nfs/dbraw/zinc/20/89/53/438208953.db2.gz	LOVDQHRQYHEIIJ-ZDUSSCGKSA-N	-2	3	344.345	0.734	20	5		ECBDHL
CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(=O)[O-]	ZINC000521410510	439117459	/nfs/dbraw/zinc/11/74/59/439117459.db2.gz	UWLULCTXPMGTDK-SECBINFHSA-N	-2	3	346.317	0.523	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCOC2)c([N+](=O)[O-])c1	ZINC000591745352	439080679	/nfs/dbraw/zinc/08/06/79/439080679.db2.gz	VEXWGLDVYBARRN-CYBMUJFWSA-N	-2	3	344.345	0.815	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC2CC2)c1	ZINC000568007323	439203753	/nfs/dbraw/zinc/20/37/53/439203753.db2.gz	GWMJPDBNOUXKJR-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-]	ZINC000594573615	439577485	/nfs/dbraw/zinc/57/74/85/439577485.db2.gz	OSSQJNJHTFEGNH-QMMMGPOBSA-N	-2	3	336.297	0.695	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000318000628	320710296	/nfs/dbraw/zinc/71/02/96/320710296.db2.gz	HKQIRYFHHYUMQX-SNVBAGLBSA-N	-2	3	332.334	0.504	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000321872789	320716924	/nfs/dbraw/zinc/71/69/24/320716924.db2.gz	ARDWOVXBMCQPPK-IUCAKERBSA-N	-2	3	342.329	0.911	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000548206409	322151052	/nfs/dbraw/zinc/15/10/52/322151052.db2.gz	AQVLYKXTTUCHDE-MWLCHTKSSA-N	-2	3	344.345	0.671	20	5		ECBDHL
COCCOCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000576997282	322822335	/nfs/dbraw/zinc/82/23/35/322822335.db2.gz	RMQNGPWEEZGEPE-UHFFFAOYSA-N	-2	3	348.333	0.234	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)CNC(=O)[O-]	ZINC000739931830	579722854	/nfs/dbraw/zinc/72/28/54/579722854.db2.gz	DEXAECFKPGZSEI-UHFFFAOYSA-N	-2	3	347.349	0.928	20	5		ECBDHL
O=c1[n-]c(CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n[nH]1	ZINC000823665221	587737067	/nfs/dbraw/zinc/73/70/67/587737067.db2.gz	FQQKXCGVBCGZPO-UHFFFAOYSA-N	-2	3	331.296	0.643	20	5		ECBDHL
O=c1[n-]c(CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n[nH]1	ZINC000823665221	587737068	/nfs/dbraw/zinc/73/70/68/587737068.db2.gz	FQQKXCGVBCGZPO-UHFFFAOYSA-N	-2	3	331.296	0.643	20	5		ECBDHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000846002407	589180580	/nfs/dbraw/zinc/18/05/80/589180580.db2.gz	HNBWPPFIKQNQTP-UHFFFAOYSA-N	-2	3	331.350	0.558	20	5		ECBDHL
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1[O-]	ZINC001059604320	748767198	/nfs/dbraw/zinc/76/71/98/748767198.db2.gz	CBWQDUQWJHLXNZ-OCAPTIKFSA-N	-2	3	348.319	0.805	20	5		ECBDHL
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1	ZINC000427907341	210230479	/nfs/dbraw/zinc/23/04/79/210230479.db2.gz	KPFJNRAKBJCTJO-UHFFFAOYSA-N	-2	3	340.317	0.789	20	5		ECBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000447754845	211206269	/nfs/dbraw/zinc/20/62/69/211206269.db2.gz	BQZJDPCDWJQKLQ-AWEZNQCLSA-N	-2	3	334.288	0.115	20	5		ECBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000447754846	304504382	/nfs/dbraw/zinc/50/43/82/304504382.db2.gz	BQZJDPCDWJQKLQ-CQSZACIVSA-N	-2	3	334.288	0.115	20	5		ECBDHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000298848711	265287309	/nfs/dbraw/zinc/28/73/09/265287309.db2.gz	KKLWBWVBESEWSH-QMMMGPOBSA-N	-2	3	346.317	0.198	20	5		ECBDHL
O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000548203076	302289661	/nfs/dbraw/zinc/28/96/61/302289661.db2.gz	MTBRFARIOFEAJY-ZETCQYMHSA-N	-2	3	346.346	0.354	20	5		ECBDHL
O=C([O-])[C@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000548203076	302289663	/nfs/dbraw/zinc/28/96/63/302289663.db2.gz	MTBRFARIOFEAJY-ZETCQYMHSA-N	-2	3	346.346	0.354	20	5		ECBDHL
C[C@](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])(CC(=O)[O-])C(=O)[O-]	ZINC000548590321	302312032	/nfs/dbraw/zinc/31/20/32/302312032.db2.gz	KBXPUPPUKVDRMZ-GFCCVEGCSA-N	-3	3	346.317	0.439	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274951887	436898526	/nfs/dbraw/zinc/89/85/26/436898526.db2.gz	SRNZGPGGRDLDQL-ZETCQYMHSA-N	-3	3	332.290	0.109	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-]	ZINC000317864412	437193822	/nfs/dbraw/zinc/19/38/22/437193822.db2.gz	PRZUTFIPJVTQDT-JGVFFNPUSA-N	-2	3	332.334	0.991	20	5		ECBDHL
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC(=O)[O-]	ZINC000417432456	438049234	/nfs/dbraw/zinc/04/92/34/438049234.db2.gz	SZVOAFCMIGMWTM-UHFFFAOYSA-N	-2	3	332.290	0.134	20	5		ECBDHL
C[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000519163235	439026228	/nfs/dbraw/zinc/02/62/28/439026228.db2.gz	VCEMVTLEIHWJJG-RKDXNWHRSA-N	-2	3	344.345	0.996	20	5		ECBDHL
CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000584176624	439559812	/nfs/dbraw/zinc/55/98/12/439559812.db2.gz	PDKSFZKSWOMIHV-VIFPVBQESA-N	-2	3	332.334	0.996	20	5		ECBDHL
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776633973	579286748	/nfs/dbraw/zinc/28/67/48/579286748.db2.gz	GJOGIAJBDOSDMG-RXMQYKEDSA-N	-3	3	338.319	0.110	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCNC(=O)[O-]	ZINC000739934512	579723136	/nfs/dbraw/zinc/72/31/36/579723136.db2.gz	WRGSBFLUQPLVST-UHFFFAOYSA-N	-2	3	333.322	0.539	20	5		ECBDHL
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000447756782	304525511	/nfs/dbraw/zinc/52/55/11/304525511.db2.gz	HGPUHSLXRMQOOY-CQSZACIVSA-N	-2	3	334.288	0.115	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-]	ZINC000274902540	436890461	/nfs/dbraw/zinc/89/04/61/436890461.db2.gz	ILMHQLWDQIMUPE-ZETCQYMHSA-N	-2	3	346.317	0.523	20	5		ECBDHL
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[N-]OCC1CC1	ZINC000293766420	436906726	/nfs/dbraw/zinc/90/67/26/436906726.db2.gz	MFDJQFOQWWUPAO-UHFFFAOYSA-N	-2	3	329.334	0.331	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c1C	ZINC000263502365	436969500	/nfs/dbraw/zinc/96/95/00/436969500.db2.gz	UETLCZQRDGZCEG-LBPRGKRZSA-N	-2	3	332.334	0.326	20	5		ECBDHL
COCC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000277274468	437206001	/nfs/dbraw/zinc/20/60/01/437206001.db2.gz	OWTPTWFFMRWETM-SNVBAGLBSA-N	-2	3	346.361	0.980	20	5		ECBDHL
O=C([O-])Cn1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1	ZINC000362610104	437745752	/nfs/dbraw/zinc/74/57/52/437745752.db2.gz	ZCWAILOKYGJCOK-UHFFFAOYSA-N	-2	3	330.260	1.005	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000398246898	438450916	/nfs/dbraw/zinc/45/09/16/438450916.db2.gz	JZLUQYNTGBTFDG-UHFFFAOYSA-N	-2	3	330.318	0.889	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)c([N+](=O)[O-])c1	ZINC000581052039	439164046	/nfs/dbraw/zinc/16/40/46/439164046.db2.gz	QLRWFKVTXZAJFQ-UHFFFAOYSA-N	-2	3	344.345	0.815	20	5		ECBDHL
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CO1	ZINC000568008290	439204197	/nfs/dbraw/zinc/20/41/97/439204197.db2.gz	SVLZFKDWNUNRPE-VXNVDRBHSA-N	-2	3	330.318	0.749	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-]	ZINC000582997749	439407183	/nfs/dbraw/zinc/40/71/83/439407183.db2.gz	WHRRIILVBUAEDZ-ZETCQYMHSA-N	-2	3	338.363	0.733	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC000321309990	320715901	/nfs/dbraw/zinc/71/59/01/320715901.db2.gz	MYDQKBNZKYPXSM-GFCCVEGCSA-N	-2	3	346.317	0.125	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]1(CC(=O)[O-])CCOC1	ZINC000573835772	322768745	/nfs/dbraw/zinc/76/87/45/322768745.db2.gz	WOEHPEAICOESHH-ZDUSSCGKSA-N	-2	3	344.345	0.815	20	5		ECBDHL
O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1	ZINC000834149434	588884992	/nfs/dbraw/zinc/88/49/92/588884992.db2.gz	GFDHXMDEBRURJC-SECBINFHSA-N	-2	3	329.334	0.919	20	5		ECBDHL
O=c1[n-]c(CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n[nH]1	ZINC000823665253	587736962	/nfs/dbraw/zinc/73/69/62/587736962.db2.gz	FZWRBHKPXZEJAU-UHFFFAOYSA-N	-2	3	331.296	0.643	20	5		ECBDHL
O=c1[n-]c(CCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n[nH]1	ZINC000823665253	587736963	/nfs/dbraw/zinc/73/69/63/587736963.db2.gz	FZWRBHKPXZEJAU-UHFFFAOYSA-N	-2	3	331.296	0.643	20	5		ECBDHL
C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1	ZINC000827375117	588116397	/nfs/dbraw/zinc/11/63/97/588116397.db2.gz	QMNKQQLNABYVQH-SECBINFHSA-N	-2	3	338.320	0.316	20	5		ECBDHL
COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000158601435	296709761	/nfs/dbraw/zinc/70/97/61/296709761.db2.gz	WZPBTROVJJTYLF-SSDOTTSWSA-N	-2	3	338.725	0.626	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])cc1C	ZINC000262302376	165325483	/nfs/dbraw/zinc/32/54/83/165325483.db2.gz	ORKMFDRFRMIBDV-GFCCVEGCSA-N	-2	3	332.334	0.326	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c([N+](=O)[O-])c1	ZINC000282909439	264069268	/nfs/dbraw/zinc/06/92/68/264069268.db2.gz	RXPIUIIXLXVKEF-UHFFFAOYSA-N	-2	3	330.318	0.889	20	5		ECBDHL
O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000361787281	300125358	/nfs/dbraw/zinc/12/53/58/300125358.db2.gz	LNANVFTYNVUPRJ-UHFFFAOYSA-N	-2	3	332.198	0.762	20	5		ECBDHL
CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548568834	302310335	/nfs/dbraw/zinc/31/03/35/302310335.db2.gz	CYWZVEPIYSYWPZ-GXSJLCMTSA-N	-2	3	332.334	0.487	20	5		ECBDHL
COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000158596186	436847234	/nfs/dbraw/zinc/84/72/34/436847234.db2.gz	QLLJLSDJYWQOGG-MRVPVSSYSA-N	-2	3	338.725	0.626	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000323048756	437222106	/nfs/dbraw/zinc/22/21/06/437222106.db2.gz	FXUSIKZDKKBOPX-SNVBAGLBSA-N	-2	3	346.361	0.980	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000290753935	437523735	/nfs/dbraw/zinc/52/37/35/437523735.db2.gz	YNVIZYSYDFWSKO-VIFPVBQESA-N	-2	3	348.333	0.371	20	5		ECBDHL
CC[C@H](COC)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414319217	438702317	/nfs/dbraw/zinc/70/23/17/438702317.db2.gz	NISOANHNNYTISY-SECBINFHSA-N	-2	3	332.334	0.996	20	5		ECBDHL
C[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])[C@H]1CCOC1	ZINC000519163232	439024298	/nfs/dbraw/zinc/02/42/98/439024298.db2.gz	VCEMVTLEIHWJJG-BDAKNGLRSA-N	-2	3	344.345	0.996	20	5		ECBDHL
O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000547879958	322141874	/nfs/dbraw/zinc/14/18/74/322141874.db2.gz	MTBRFARIOFEAJY-SSDOTTSWSA-N	-2	3	346.346	0.354	20	5		ECBDHL
O=C([O-])[C@@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000547879958	322141876	/nfs/dbraw/zinc/14/18/76/322141876.db2.gz	MTBRFARIOFEAJY-SSDOTTSWSA-N	-2	3	346.346	0.354	20	5		ECBDHL
Cn1[n-]c([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])nc1=N	ZINC000555533999	322182615	/nfs/dbraw/zinc/18/26/15/322182615.db2.gz	MGIRBGVLJAJUQG-JTQLQIEISA-N	-2	3	332.320	0.819	20	5		ECBDHL
COCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000574695521	322783882	/nfs/dbraw/zinc/78/38/82/322783882.db2.gz	QECYJQWIUPWYSO-UHFFFAOYSA-N	-2	3	332.334	0.998	20	5		ECBDHL
CC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000787933911	578822346	/nfs/dbraw/zinc/82/23/46/578822346.db2.gz	FFLPAMNAXRRAFR-VIFPVBQESA-N	-2	3	334.281	0.445	20	5		ECBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnoc1	ZINC000738358237	579623783	/nfs/dbraw/zinc/62/37/83/579623783.db2.gz	CGKAJDALFSRWFK-UHFFFAOYSA-N	-2	3	337.277	0.564	20	5		ECBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnoc1	ZINC000738358237	579623784	/nfs/dbraw/zinc/62/37/84/579623784.db2.gz	CGKAJDALFSRWFK-UHFFFAOYSA-N	-2	3	337.277	0.564	20	5		ECBDHL
O=C([O-])C[C@@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCOC1	ZINC000819105314	587468771	/nfs/dbraw/zinc/46/87/71/587468771.db2.gz	DWFDOMUZLGFGIP-ZDUSSCGKSA-N	-2	3	344.345	0.897	20	5		ECBDHL
Cc1onc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1-c1nnn[n-]1	ZINC000826348238	588032127	/nfs/dbraw/zinc/03/21/27/588032127.db2.gz	CJBIJDZNSJYADN-UHFFFAOYSA-N	-2	3	345.275	0.958	20	5		ECBDHL
O=c1[n-]cnc2c1CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2	ZINC000826501557	588064626	/nfs/dbraw/zinc/06/46/26/588064626.db2.gz	VUXGUOPRJNMHBQ-UHFFFAOYSA-N	-2	3	340.303	0.833	20	5		ECBDHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000547875350	302274286	/nfs/dbraw/zinc/27/42/86/302274286.db2.gz	DOZKLIDZYJJGMJ-QMMMGPOBSA-N	-2	3	346.317	0.198	20	5		ECBDHL
CCC[C@@H](O)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000547934570	302277383	/nfs/dbraw/zinc/27/73/83/302277383.db2.gz	RDOYYOUXEAPEOC-NEPJUHHUSA-N	-2	3	346.361	0.628	20	5		ECBDHL
COC(=O)CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000548524990	302306428	/nfs/dbraw/zinc/30/64/28/302306428.db2.gz	IMRPDYNEZXUHHD-UHFFFAOYSA-N	-2	3	346.317	0.988	20	5		ECBDHL
COCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n[n-]1	ZINC000594826532	439623540	/nfs/dbraw/zinc/62/35/40/439623540.db2.gz	CJOZCOBPDBYAJS-UHFFFAOYSA-N	-2	3	347.378	0.708	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)cc1C	ZINC000320997199	320715679	/nfs/dbraw/zinc/71/56/79/320715679.db2.gz	MQUPCJBPXWVPFN-ZDUSSCGKSA-N	-2	3	344.345	0.734	20	5		ECBDHL
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]N=c2nccc[nH]2)c1	ZINC000751147263	579363786	/nfs/dbraw/zinc/36/37/86/579363786.db2.gz	SPHHRGTYKGEIKK-UHFFFAOYSA-N	-2	3	339.289	0.388	20	5		ECBDHL
CC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000787935101	578822439	/nfs/dbraw/zinc/82/24/39/578822439.db2.gz	LNHLYXJGFYQSQB-SNVBAGLBSA-N	-2	3	344.345	0.922	20	5		ECBDHL
O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)c1cccc([N+](=O)[O-])c1	ZINC000821588865	587603168	/nfs/dbraw/zinc/60/31/68/587603168.db2.gz	MGTXWHFLPPMLGR-UHFFFAOYSA-N	-2	3	347.312	0.985	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)o1	ZINC000833323186	588534614	/nfs/dbraw/zinc/53/46/14/588534614.db2.gz	HYKYAKUQCNJOKD-UHFFFAOYSA-N	-2	3	330.278	0.061	20	5		ECBDHL
COC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000844885335	589124407	/nfs/dbraw/zinc/12/44/07/589124407.db2.gz	GZQRHWOWAMFPEP-UHFFFAOYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
CC(C)c1[nH]nc(C(=O)[N-]c2n[n-]c(SCCO)n2)c1[N+](=O)[O-]	ZINC000270894182	263283272	/nfs/dbraw/zinc/28/32/72/263283272.db2.gz	QYOFUTLMCKXVMP-UHFFFAOYSA-N	-2	3	341.353	0.896	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1C	ZINC000274879150	263518991	/nfs/dbraw/zinc/51/89/91/263518991.db2.gz	CFMLXWVFZRYPGY-MRVPVSSYSA-N	-3	3	346.317	0.418	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	ZINC000297145834	265127895	/nfs/dbraw/zinc/12/78/95/265127895.db2.gz	ILYUSCVEAJCROQ-UHFFFAOYSA-N	-2	3	330.318	0.747	20	5		ECBDHL
Cc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(=O)[n-]1	ZINC000343997980	297970347	/nfs/dbraw/zinc/97/03/47/297970347.db2.gz	YKUKDYZRNFVTJY-UHFFFAOYSA-N	-2	3	330.347	0.939	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])cc1C	ZINC000274900456	436890382	/nfs/dbraw/zinc/89/03/82/436890382.db2.gz	ICDTUKVEBDMDBP-MRVPVSSYSA-N	-3	3	346.317	0.418	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CC1	ZINC000315856000	437183220	/nfs/dbraw/zinc/18/32/20/437183220.db2.gz	JUVMXFCTUGXPNW-NSHDSACASA-N	-2	3	330.318	0.745	20	5		ECBDHL
O=C(Nc1nnc(SCCO)[n-]1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356767469	437827273	/nfs/dbraw/zinc/82/72/73/437827273.db2.gz	KTYYSYSXALYFFR-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
O=C(Nc1nc(SCCO)n[n-]1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356767469	437827277	/nfs/dbraw/zinc/82/72/77/437827277.db2.gz	KTYYSYSXALYFFR-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
O=C(Nc1n[n-]c(SCCO)n1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356767469	437827284	/nfs/dbraw/zinc/82/72/84/437827284.db2.gz	KTYYSYSXALYFFR-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]C2(C(=O)[O-])COC2)c1[N+](=O)[O-]	ZINC000365157385	437867442	/nfs/dbraw/zinc/86/74/42/437867442.db2.gz	OTUCWEWANWDCEG-UHFFFAOYSA-N	-2	3	330.318	0.344	20	5		ECBDHL
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000350837362	438233182	/nfs/dbraw/zinc/23/31/82/438233182.db2.gz	SXMZOHFIHMYXQU-SSDOTTSWSA-N	-2	3	335.276	0.804	20	5		ECBDHL
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CO1	ZINC000577956529	438885851	/nfs/dbraw/zinc/88/58/51/438885851.db2.gz	FCYQOCURWCBVSR-CBAPKCEASA-N	-2	3	330.318	0.749	20	5		ECBDHL
O=C(CC[C@@H]1NC(=O)[N-]C1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000597467655	439105962	/nfs/dbraw/zinc/10/59/62/439105962.db2.gz	UFSGXKYINYGOJQ-LURJTMIESA-N	-2	3	342.695	0.881	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-][C@]2(CC(=O)[O-])CCOC2)c([N+](=O)[O-])c1	ZINC000591745353	439080908	/nfs/dbraw/zinc/08/09/08/439080908.db2.gz	VEXWGLDVYBARRN-ZDUSSCGKSA-N	-2	3	344.345	0.815	20	5		ECBDHL
CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548266345	322152554	/nfs/dbraw/zinc/15/25/54/322152554.db2.gz	VKTGKCSNAPYJLG-QWRGUYRKSA-N	-2	3	346.361	0.796	20	5		ECBDHL
CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])OC	ZINC000568006625	322609568	/nfs/dbraw/zinc/60/95/68/322609568.db2.gz	LOEPTUFVDCDYPH-SECBINFHSA-N	-2	3	332.334	0.996	20	5		ECBDHL
CC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000787933880	578822341	/nfs/dbraw/zinc/82/23/41/578822341.db2.gz	FFLPAMNAXRRAFR-SECBINFHSA-N	-2	3	334.281	0.445	20	5		ECBDHL
CC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000787935936	578822579	/nfs/dbraw/zinc/82/25/79/578822579.db2.gz	XUQBEYGQRAINNK-VIFPVBQESA-N	-2	3	330.318	0.614	20	5		ECBDHL
O=C([O-])N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1	ZINC000740505525	579750764	/nfs/dbraw/zinc/75/07/64/579750764.db2.gz	CQFYKUJDZOIMHY-SSDOTTSWSA-N	-2	3	333.297	0.765	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)cc1C	ZINC000299016632	265321255	/nfs/dbraw/zinc/32/12/55/265321255.db2.gz	FCVAVMUMNBTWQM-KWQFWETISA-N	-2	3	332.334	0.324	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000317360880	437193055	/nfs/dbraw/zinc/19/30/55/437193055.db2.gz	BYOILFHJHBZJLL-JGVFFNPUSA-N	-2	3	332.334	0.991	20	5		ECBDHL
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(=O)[O-]	ZINC000417423507	438048378	/nfs/dbraw/zinc/04/83/78/438048378.db2.gz	RIWSOZNNVAUDSF-UHFFFAOYSA-N	-2	3	346.317	0.525	20	5		ECBDHL
C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CO1	ZINC000568008288	322609814	/nfs/dbraw/zinc/60/98/14/322609814.db2.gz	SVLZFKDWNUNRPE-CBAPKCEASA-N	-2	3	330.318	0.749	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])CC(=O)[O-]	ZINC000574572846	518108485	/nfs/dbraw/zinc/10/84/85/518108485.db2.gz	CKKKPQQHXCHXNV-SNVBAGLBSA-N	-2	3	346.361	0.980	20	5		ECBDHL
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1nc[nH]n1	ZINC000833523459	588547357	/nfs/dbraw/zinc/54/73/57/588547357.db2.gz	PKHPHBXUIQLVEB-LURJTMIESA-N	-2	3	341.305	0.451	20	5		ECBDHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc[nH]n1	ZINC000355474786	299256838	/nfs/dbraw/zinc/25/68/38/299256838.db2.gz	WBZAZNBZDJQZMJ-ZCFIWIBFSA-N	-2	3	341.305	0.451	20	5		ECBDHL
C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000090276959	217924494	/nfs/dbraw/zinc/92/44/94/217924494.db2.gz	OSXWKEHKZILTKR-SNVBAGLBSA-N	-2	3	338.725	0.362	20	5		ECBDHL
C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000270531497	263249074	/nfs/dbraw/zinc/24/90/74/263249074.db2.gz	VDXREKWLZVFKJW-ZETCQYMHSA-N	-2	3	346.317	0.508	20	5		ECBDHL
CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000274924904	436893630	/nfs/dbraw/zinc/89/36/30/436893630.db2.gz	NQNKXGSGCLTHOR-VIFPVBQESA-N	-2	3	346.317	0.523	20	5		ECBDHL
O=C(Nc1nnc(SCCO)[n-]1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436603498	438416299	/nfs/dbraw/zinc/41/62/99/438416299.db2.gz	HMJXDZAWSDXUDP-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
O=C(Nc1nc(SCCO)n[n-]1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436603498	438416304	/nfs/dbraw/zinc/41/63/04/438416304.db2.gz	HMJXDZAWSDXUDP-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
O=C(Nc1n[n-]c(SCCO)n1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436603498	438416308	/nfs/dbraw/zinc/41/63/08/438416308.db2.gz	HMJXDZAWSDXUDP-UHFFFAOYSA-N	-2	3	325.306	0.755	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CC1	ZINC000579718243	439031461	/nfs/dbraw/zinc/03/14/61/439031461.db2.gz	QHBQVJXIMDLNBO-JTQLQIEISA-N	-2	3	344.345	0.996	20	5		ECBDHL
CCOCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000574522942	439710053	/nfs/dbraw/zinc/71/00/53/439710053.db2.gz	IPZVZVLKFUYMLE-UHFFFAOYSA-N	-2	3	332.334	0.998	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1	ZINC000759170042	579487312	/nfs/dbraw/zinc/48/73/12/579487312.db2.gz	XNWAUDAXFKBAIV-UHFFFAOYSA-N	-2	3	338.301	0.993	20	5		ECBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCOC1	ZINC000776504915	579282588	/nfs/dbraw/zinc/28/25/88/579282588.db2.gz	WWSLOEPIGTULRA-IMTBSYHQSA-N	-2	3	336.347	0.424	20	5		ECBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCOC1	ZINC000776504913	579282591	/nfs/dbraw/zinc/28/25/91/579282591.db2.gz	WWSLOEPIGTULRA-HZGVNTEJSA-N	-2	3	336.347	0.424	20	5		ECBDHL
NC(=O)[N-]C(=O)OCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000739167001	579671200	/nfs/dbraw/zinc/67/12/00/579671200.db2.gz	MBCSTHUIOALJMO-UHFFFAOYSA-N	-2	3	327.249	0.867	20	5		ECBDHL
O=C([O-])N1CC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000740488273	579749784	/nfs/dbraw/zinc/74/97/84/579749784.db2.gz	CDACVCSATCDPLL-UHFFFAOYSA-N	-2	3	335.725	0.889	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]CC(C)(C)NC(=O)[O-])c([N+](=O)[O-])c1	ZINC000829510208	588327702	/nfs/dbraw/zinc/32/77/02/588327702.db2.gz	DUGYPDRTFFFXLK-UHFFFAOYSA-N	-2	3	347.349	0.928	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c([N+](=O)[O-])c1	ZINC000548536732	302307872	/nfs/dbraw/zinc/30/78/72/302307872.db2.gz	RFZZXQYTUYSFRT-SSDOTTSWSA-N	-3	3	332.290	0.109	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC(=O)[O-])c1C	ZINC000548595611	302312067	/nfs/dbraw/zinc/31/20/67/302312067.db2.gz	SQUQCSJOLSQBIG-UHFFFAOYSA-N	-2	3	332.334	0.591	20	5		ECBDHL
C[C@](CO)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000275528631	436979888	/nfs/dbraw/zinc/97/98/88/436979888.db2.gz	BMRVZVDVEZJVBK-GFCCVEGCSA-N	-2	3	332.334	0.346	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000290892201	437538837	/nfs/dbraw/zinc/53/88/37/437538837.db2.gz	DAUXYSPUBDJKNH-SECBINFHSA-N	-2	3	332.334	0.671	20	5		ECBDHL
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000447753525	438678670	/nfs/dbraw/zinc/67/86/70/438678670.db2.gz	KTNGYQFEWSDSNQ-CQSZACIVSA-N	-2	3	334.288	0.115	20	5		ECBDHL
CC(C)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000589158534	438857624	/nfs/dbraw/zinc/85/76/24/438857624.db2.gz	KZASEUXCSWROOP-UHFFFAOYSA-N	-2	3	346.317	0.508	20	5		ECBDHL
CO[C@@H](C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000573730016	322766883	/nfs/dbraw/zinc/76/68/83/322766883.db2.gz	USQNKTALNPGEES-QMMMGPOBSA-N	-2	3	332.334	0.996	20	5		ECBDHL
O=C(Oc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000755341962	579432494	/nfs/dbraw/zinc/43/24/94/579432494.db2.gz	NCCDHNKHILBHQU-NSHDSACASA-N	-2	3	344.283	0.893	20	5		ECBDHL
COCc1nc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[n-]1	ZINC000849439154	589334553	/nfs/dbraw/zinc/33/45/53/589334553.db2.gz	XNKZCAAJBAQCAC-UHFFFAOYSA-N	-2	3	345.312	0.477	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	ZINC000297152925	265128679	/nfs/dbraw/zinc/12/86/79/265128679.db2.gz	JAHBHIXWKWRIDT-UHFFFAOYSA-N	-2	3	330.318	0.747	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c1[N+](=O)[O-]	ZINC000277319536	437209914	/nfs/dbraw/zinc/20/99/14/437209914.db2.gz	UFLWUKDPIHCIBL-SECBINFHSA-N	-2	3	332.334	0.326	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC000290621787	437508420	/nfs/dbraw/zinc/50/84/20/437508420.db2.gz	KMNNUUJZENGRMF-VIFPVBQESA-N	-2	3	348.333	0.371	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c1C	ZINC000581178275	439180573	/nfs/dbraw/zinc/18/05/73/439180573.db2.gz	RPEMTHHCCUIFDM-WPRPVWTQSA-N	-2	3	332.334	0.324	20	5		ECBDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000566316963	322524182	/nfs/dbraw/zinc/52/41/82/322524182.db2.gz	ACJBDHWBLLWPHB-SCZZXKLOSA-N	-2	3	344.345	0.996	20	5		ECBDHL
COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000568007286	322609571	/nfs/dbraw/zinc/60/95/71/322609571.db2.gz	FRZIXHPFLHIVNJ-ZETCQYMHSA-N	-2	3	346.317	0.380	20	5		ECBDHL
COC[C@](C)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000572638234	322748497	/nfs/dbraw/zinc/74/84/97/322748497.db2.gz	WHXWINODMBXLBP-ZDUSSCGKSA-N	-2	3	346.361	0.980	20	5		ECBDHL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-]	ZINC000759169641	579487285	/nfs/dbraw/zinc/48/72/85/579487285.db2.gz	SVGLTHMPHLFGTC-UHFFFAOYSA-N	-2	3	342.289	0.895	20	5		ECBDHL
CC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000787934872	578822503	/nfs/dbraw/zinc/82/25/03/578822503.db2.gz	RAQBBOOPFFDMIT-JTQLQIEISA-N	-2	3	344.345	0.922	20	5		ECBDHL
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776588106	579284970	/nfs/dbraw/zinc/28/49/70/579284970.db2.gz	MOKBTQMRVJTGBH-MRVPVSSYSA-N	-2	3	336.347	0.757	20	5		ECBDHL
CCCc1[nH]nc(C(=O)[N-]c2n[n-]c(SCCO)n2)c1[N+](=O)[O-]	ZINC000268764643	252215339	/nfs/dbraw/zinc/21/53/39/252215339.db2.gz	WNVDTGCJKFDJDZ-UHFFFAOYSA-N	-2	3	341.353	0.725	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2=CCCOC2)c1	ZINC000414344750	208403224	/nfs/dbraw/zinc/40/32/24/208403224.db2.gz	OGYAYDRIJDSAMA-UHFFFAOYSA-N	-2	3	342.329	0.918	20	5		ECBDHL
O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)COC1	ZINC000366644981	300563532	/nfs/dbraw/zinc/56/35/32/300563532.db2.gz	RWORELGBUFPXID-UHFFFAOYSA-N	-2	3	336.709	0.380	20	5		ECBDHL
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274991178	436906306	/nfs/dbraw/zinc/90/63/06/436906306.db2.gz	MRWOCTXPLUEIIX-ZETCQYMHSA-N	-3	3	332.290	0.049	20	5		ECBDHL
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	ZINC000417417237	438048366	/nfs/dbraw/zinc/04/83/66/438048366.db2.gz	AHCZWHHYSHKJFW-LURJTMIESA-N	-2	3	332.290	0.133	20	5		ECBDHL
CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414335964	438702457	/nfs/dbraw/zinc/70/24/57/438702457.db2.gz	HIPYSCMXFIQURQ-SFYZADRCSA-N	-2	3	332.334	0.995	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	ZINC000518797887	439010772	/nfs/dbraw/zinc/01/07/72/439010772.db2.gz	YBQASPRCWJIYON-UHFFFAOYSA-N	-2	3	344.301	0.277	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000321872786	320716948	/nfs/dbraw/zinc/71/69/48/320716948.db2.gz	ARDWOVXBMCQPPK-BDAKNGLRSA-N	-2	3	342.329	0.911	20	5		ECBDHL
CS(=O)(=O)c1nc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)n[n-]1	ZINC000344209489	321143519	/nfs/dbraw/zinc/14/35/19/321143519.db2.gz	JVORCNDCMXCEOV-UHFFFAOYSA-N	-2	3	329.269	0.508	20	5		ECBDHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000040700043	213370282	/nfs/dbraw/zinc/37/02/82/213370282.db2.gz	ZCSIUJHCCWVFIM-QMMMGPOBSA-N	-2	3	338.725	0.362	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c1[N+](=O)[O-]	ZINC000263462018	165446611	/nfs/dbraw/zinc/44/66/11/165446611.db2.gz	DXUPFKRUCAWJTC-GFCCVEGCSA-N	-2	3	332.334	0.326	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000274931578	436895482	/nfs/dbraw/zinc/89/54/82/436895482.db2.gz	CPJULVLEDNMYFS-DTWKUNHWSA-N	-2	3	342.329	0.911	20	5		ECBDHL
CO[C@H](C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414339511	438703711	/nfs/dbraw/zinc/70/37/11/438703711.db2.gz	SYEYIKISCONHIC-MRVPVSSYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c1[N+](=O)[O-]	ZINC000566918640	439100227	/nfs/dbraw/zinc/10/02/27/439100227.db2.gz	LYAHOHIZMVEKDV-VIFPVBQESA-N	-2	3	344.345	0.998	20	5		ECBDHL
C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000572046170	439552017	/nfs/dbraw/zinc/55/20/17/439552017.db2.gz	YMOJHZWWQUPROX-QMMMGPOBSA-N	-2	3	331.350	0.521	20	5		ECBDHL
Cc1sc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-]	ZINC000619708978	546360158	/nfs/dbraw/zinc/36/01/58/546360158.db2.gz	JKJGACSGYDYDPZ-SNVBAGLBSA-N	-2	3	336.347	0.487	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000739930916	579722800	/nfs/dbraw/zinc/72/28/00/579722800.db2.gz	CNIOGNLWQSAWQH-MRVPVSSYSA-N	-2	3	345.333	0.634	20	5		ECBDHL
COC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000840891229	588974624	/nfs/dbraw/zinc/97/46/24/588974624.db2.gz	WSVWHUYNCWMAMB-UHFFFAOYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
CCOC(=O)c1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cc([N+](=O)[O-])c1	ZINC000816732844	587321870	/nfs/dbraw/zinc/32/18/70/587321870.db2.gz	YBAMTXSFJNRQPD-UHFFFAOYSA-N	-2	3	337.248	0.158	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000530382282	302007181	/nfs/dbraw/zinc/00/71/81/302007181.db2.gz	DUCUBYONKSSKTJ-SNVBAGLBSA-N	-2	3	346.361	0.980	20	5		ECBDHL
COC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548218538	302290575	/nfs/dbraw/zinc/29/05/75/302290575.db2.gz	LWEOUKZRBWQDMR-SECBINFHSA-N	-2	3	332.334	0.590	20	5		ECBDHL
O=C([O-])CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000261731736	436884835	/nfs/dbraw/zinc/88/48/35/436884835.db2.gz	SPKDMPBLCVDUHU-UHFFFAOYSA-N	-2	3	332.290	0.119	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])cc1C	ZINC000274874253	436885128	/nfs/dbraw/zinc/88/51/28/436885128.db2.gz	BJTQKEIEXLAMES-JTQLQIEISA-N	-2	3	332.334	0.326	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)cc1C	ZINC000281074042	436944577	/nfs/dbraw/zinc/94/45/77/436944577.db2.gz	AWZMZVPMFSGCTN-UHFFFAOYSA-N	-2	3	342.333	0.409	20	5		ECBDHL
O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCOCC1	ZINC000322875890	437219263	/nfs/dbraw/zinc/21/92/63/437219263.db2.gz	AANZLFSDEUAFOT-UHFFFAOYSA-N	-2	3	348.308	0.646	20	5		ECBDHL
COCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414324477	438702223	/nfs/dbraw/zinc/70/22/23/438702223.db2.gz	VYSYSPHHNQCPAS-QMMMGPOBSA-N	-2	3	332.334	0.996	20	5		ECBDHL
CCOC(=O)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000579126414	438983731	/nfs/dbraw/zinc/98/37/31/438983731.db2.gz	MTOZXPWNNDSKKB-UHFFFAOYSA-N	-2	3	332.290	0.134	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	ZINC000567809488	439180051	/nfs/dbraw/zinc/18/00/51/439180051.db2.gz	VZYXFYLHCXMDKK-OCAPTIKFSA-N	-2	3	330.318	0.745	20	5		ECBDHL
Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc1=N	ZINC000568300984	439237321	/nfs/dbraw/zinc/23/73/21/439237321.db2.gz	RBVBBKWLOGHXHH-VIFPVBQESA-N	-2	3	332.320	0.819	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c([N+](=O)[O-])c1	ZINC000593303835	439365694	/nfs/dbraw/zinc/36/56/94/439365694.db2.gz	AHEBUWJJEUHZCM-VIFPVBQESA-N	-2	3	330.318	0.750	20	5		ECBDHL
CCN(CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000739433395	579686843	/nfs/dbraw/zinc/68/68/43/579686843.db2.gz	DKVUFOLLPOVCTP-UHFFFAOYSA-N	-2	3	347.349	0.882	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-]	ZINC000863411057	590011966	/nfs/dbraw/zinc/01/19/66/590011966.db2.gz	SKKXRPBZKKCNTA-VIFPVBQESA-N	-2	3	346.317	0.314	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)cc1C	ZINC000299016627	265321266	/nfs/dbraw/zinc/32/12/66/265321266.db2.gz	FCVAVMUMNBTWQM-GZMMTYOYSA-N	-2	3	332.334	0.324	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000530541330	302015575	/nfs/dbraw/zinc/01/55/75/302015575.db2.gz	VYJBGJPIRQUXKF-SECBINFHSA-N	-2	3	332.334	0.671	20	5		ECBDHL
CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548568835	302310294	/nfs/dbraw/zinc/31/02/94/302310294.db2.gz	CYWZVEPIYSYWPZ-KOLCDFICSA-N	-2	3	332.334	0.487	20	5		ECBDHL
COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000275033350	436912756	/nfs/dbraw/zinc/91/27/56/436912756.db2.gz	FXXRLKLVYPRNPP-SECBINFHSA-N	-2	3	348.333	0.371	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c1[N+](=O)[O-]	ZINC000263462019	436967313	/nfs/dbraw/zinc/96/73/13/436967313.db2.gz	DXUPFKRUCAWJTC-LBPRGKRZSA-N	-2	3	332.334	0.326	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC)c([N+](=O)[O-])c1	ZINC000323040781	437220537	/nfs/dbraw/zinc/22/05/37/437220537.db2.gz	BYIHFUJRAJOGIX-VIFPVBQESA-N	-2	3	348.333	0.371	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC2)c1	ZINC000414318992	438701994	/nfs/dbraw/zinc/70/19/94/438701994.db2.gz	NEOMGVOJJLRFDZ-MRVPVSSYSA-N	-2	3	330.318	0.608	20	5		ECBDHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000414317628	438702327	/nfs/dbraw/zinc/70/23/27/438702327.db2.gz	AKVCSELJNDZAKR-PSASIEDQSA-N	-2	3	344.345	0.996	20	5		ECBDHL
COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414315214	438702641	/nfs/dbraw/zinc/70/26/41/438702641.db2.gz	FQPQMDWEUPSMNX-SSDOTTSWSA-N	-2	3	346.317	0.380	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	ZINC000564856826	438878286	/nfs/dbraw/zinc/87/82/86/438878286.db2.gz	VZYXFYLHCXMDKK-ZKCHVHJHSA-N	-2	3	330.318	0.745	20	5		ECBDHL
O=C([O-])C[C@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1	ZINC000566117174	439007402	/nfs/dbraw/zinc/00/74/02/439007402.db2.gz	MGDBIXSXPOMDGF-GFCCVEGCSA-N	-2	3	330.318	0.507	20	5		ECBDHL
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CO1	ZINC000581072748	439165844	/nfs/dbraw/zinc/16/58/44/439165844.db2.gz	BOENJDGFGDQLKB-HTQZYQBOSA-N	-2	3	330.318	0.749	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1[N+](=O)[O-]	ZINC000593304541	439365616	/nfs/dbraw/zinc/36/56/16/439365616.db2.gz	QYAWDQMUNMRUEJ-QMMMGPOBSA-N	-2	3	330.318	0.750	20	5		ECBDHL
Cc1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c([N+](=O)[O-])c1	ZINC000571180858	322713130	/nfs/dbraw/zinc/71/31/30/322713130.db2.gz	PYVWASFJSKENCI-GFCCVEGCSA-N	-2	3	330.318	0.425	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC000619708992	546360089	/nfs/dbraw/zinc/36/00/89/546360089.db2.gz	MDOFWLOZBGRABX-LBPRGKRZSA-N	-2	3	346.317	0.125	20	5		ECBDHL
C[C@](CO)(C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CC(=O)[O-]	ZINC000780288612	578690835	/nfs/dbraw/zinc/69/08/35/578690835.db2.gz	QIFMELHZWOTMBJ-SNVBAGLBSA-N	-2	3	338.363	0.408	20	5		ECBDHL
CC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000787935812	578822614	/nfs/dbraw/zinc/82/26/14/578822614.db2.gz	PTNCUVQVBBYUOT-SNVBAGLBSA-N	-2	3	344.345	0.922	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C/C=C\C(=O)[O-]	ZINC000788445490	578837543	/nfs/dbraw/zinc/83/75/43/578837543.db2.gz	DVLNCESUZLHYKY-IHWYPQMZSA-N	-2	3	344.301	0.301	20	5		ECBDHL
CC(C)OC(=O)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000844885824	589124333	/nfs/dbraw/zinc/12/43/33/589124333.db2.gz	UOTKYRAKPSUECX-UHFFFAOYSA-N	-2	3	346.317	0.523	20	5		ECBDHL
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	ZINC000417421369	292018094	/nfs/dbraw/zinc/01/80/94/292018094.db2.gz	MCZHODMLJIMJKI-SSDOTTSWSA-N	-2	3	346.317	0.523	20	5		ECBDHL
CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414319218	286850838	/nfs/dbraw/zinc/85/08/38/286850838.db2.gz	NISOANHNNYTISY-VIFPVBQESA-N	-2	3	332.334	0.996	20	5		ECBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	ZINC000274902539	263522405	/nfs/dbraw/zinc/52/24/05/263522405.db2.gz	ILMHQLWDQIMUPE-SSDOTTSWSA-N	-2	3	346.317	0.523	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000297329160	265139481	/nfs/dbraw/zinc/13/94/81/265139481.db2.gz	XQJJCVBJKQBVKL-UHFFFAOYSA-N	-2	3	348.308	0.886	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC000316167345	437184770	/nfs/dbraw/zinc/18/47/70/437184770.db2.gz	XLCWLPAJTJPWJX-LBPRGKRZSA-N	-2	3	330.318	0.425	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000321872791	437215070	/nfs/dbraw/zinc/21/50/70/437215070.db2.gz	ARDWOVXBMCQPPK-RKDXNWHRSA-N	-2	3	342.329	0.911	20	5		ECBDHL
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000350872521	438237770	/nfs/dbraw/zinc/23/77/70/438237770.db2.gz	VVBIPTOWDQJFJH-ZETCQYMHSA-N	-2	3	335.276	0.804	20	5		ECBDHL
CCOC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414322971	438702845	/nfs/dbraw/zinc/70/28/45/438702845.db2.gz	UBEFUDHIBCTWIY-UHFFFAOYSA-N	-2	3	346.317	0.525	20	5		ECBDHL
CNc1nccc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)c1[N+](=O)[O-]	ZINC000553254629	438748885	/nfs/dbraw/zinc/74/88/85/438748885.db2.gz	LHTCSWLXYHOXNR-UHFFFAOYSA-N	-2	3	331.214	1.421	20	5		ECBDHL
O=c1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[n-]o1	ZINC000352892279	321375059	/nfs/dbraw/zinc/37/50/59/321375059.db2.gz	KGKXGHOOZHJEKG-UHFFFAOYSA-N	-2	3	348.724	0.446	20	5		ECBDHL
Cc1[nH]nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c1[N+](=O)[O-]	ZINC000822010249	587641164	/nfs/dbraw/zinc/64/11/64/587641164.db2.gz	VDODRWLYZWOLTE-UHFFFAOYSA-N	-2	3	330.264	0.764	20	5		ECBDHL
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000270531494	263249289	/nfs/dbraw/zinc/24/92/89/263249289.db2.gz	VDXREKWLZVFKJW-SSDOTTSWSA-N	-2	3	346.317	0.508	20	5		ECBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1	ZINC000516862955	301682501	/nfs/dbraw/zinc/68/25/01/301682501.db2.gz	QTBOMGZDEKKJTM-JOYOIKCWSA-N	-2	3	344.345	0.753	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000274932484	436895614	/nfs/dbraw/zinc/89/56/14/436895614.db2.gz	CPJULVLEDNMYFS-RKDXNWHRSA-N	-2	3	342.329	0.911	20	5		ECBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275384779	436962447	/nfs/dbraw/zinc/96/24/47/436962447.db2.gz	ZXWGYENEKAXEQT-QMMMGPOBSA-N	-2	3	338.725	0.280	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-]CCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000262383749	436928424	/nfs/dbraw/zinc/92/84/24/436928424.db2.gz	OHWUHBOHDOMDJS-UHFFFAOYSA-N	-2	3	336.297	0.886	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1	ZINC000279326166	437395679	/nfs/dbraw/zinc/39/56/79/437395679.db2.gz	GSNTUOMEHUFUKC-UHFFFAOYSA-N	-2	3	328.306	0.101	20	5		ECBDHL
O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000357002109	437884848	/nfs/dbraw/zinc/88/48/48/437884848.db2.gz	TZRZTRVVNVKYHA-UHFFFAOYSA-N	-2	3	343.259	0.629	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-]	ZINC000388799345	438426413	/nfs/dbraw/zinc/42/64/13/438426413.db2.gz	JJZQBOPLCQJHCL-YUMQZZPRSA-N	-2	3	332.334	0.991	20	5		ECBDHL
COCC[C@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000515854338	438883206	/nfs/dbraw/zinc/88/32/06/438883206.db2.gz	VUKRDFMCGKKGCH-QMMMGPOBSA-N	-2	3	332.334	0.996	20	5		ECBDHL
COCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n[n-]1	ZINC000594828134	439623179	/nfs/dbraw/zinc/62/31/79/439623179.db2.gz	SDZZCVXTCDMMHO-UHFFFAOYSA-N	-2	3	333.351	0.399	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c1	ZINC000563351565	322309775	/nfs/dbraw/zinc/30/97/75/322309775.db2.gz	KLBWRSSSRBETFQ-VIFPVBQESA-N	-2	3	344.345	0.998	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	ZINC000619708818	546359165	/nfs/dbraw/zinc/35/91/65/546359165.db2.gz	XVDWTCSCIJHAIG-UHFFFAOYSA-N	-2	3	330.318	0.889	20	5		ECBDHL
O=C([O-])Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n[nH]1	ZINC000739909364	579721564	/nfs/dbraw/zinc/72/15/64/579721564.db2.gz	HRIZZESYWMLVFT-UHFFFAOYSA-N	-2	3	349.259	0.364	20	5		ECBDHL
O=c1[n-]c(CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n[nH]1	ZINC000823665444	587737565	/nfs/dbraw/zinc/73/75/65/587737565.db2.gz	KIVHHBLGHAIULA-UHFFFAOYSA-N	-2	3	331.296	0.643	20	5		ECBDHL
O=c1[n-]c(CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n[nH]1	ZINC000823665444	587737567	/nfs/dbraw/zinc/73/75/67/587737567.db2.gz	KIVHHBLGHAIULA-UHFFFAOYSA-N	-2	3	331.296	0.643	20	5		ECBDHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000846003138	589180773	/nfs/dbraw/zinc/18/07/73/589180773.db2.gz	WXGVRKGBLPXKOV-UHFFFAOYSA-N	-2	3	331.350	0.558	20	5		ECBDHL
CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548568837	302310246	/nfs/dbraw/zinc/31/02/46/302310246.db2.gz	CYWZVEPIYSYWPZ-ONGXEEELSA-N	-2	3	332.334	0.487	20	5		ECBDHL
COCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000593943015	439499543	/nfs/dbraw/zinc/49/95/43/439499543.db2.gz	LQQZINFOERCTRB-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
COCC1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC000593942911	439499736	/nfs/dbraw/zinc/49/97/36/439499736.db2.gz	DFIBKRZILVIBCY-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
CC(=O)NCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000584724080	439610792	/nfs/dbraw/zinc/61/07/92/439610792.db2.gz	SYOIJQQGBFTTNI-UHFFFAOYSA-N	-2	3	345.333	0.098	20	5		ECBDHL
Cn1cc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000322877156	320718885	/nfs/dbraw/zinc/71/88/85/320718885.db2.gz	ALINECVUELXCSR-NSHDSACASA-N	-2	3	340.317	0.433	20	5		ECBDHL
C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])N(C)C	ZINC000563229975	322305472	/nfs/dbraw/zinc/30/54/72/322305472.db2.gz	JFAKBMVOXXNCJC-QMMMGPOBSA-N	-2	3	331.350	0.521	20	5		ECBDHL
C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000566316964	322524325	/nfs/dbraw/zinc/52/43/25/322524325.db2.gz	ACJBDHWBLLWPHB-WCBMZHEXSA-N	-2	3	344.345	0.996	20	5		ECBDHL
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776633976	579286813	/nfs/dbraw/zinc/28/68/13/579286813.db2.gz	GJOGIAJBDOSDMG-YFKPBYRVSA-N	-3	3	338.319	0.110	20	5		ECBDHL
CCN(CC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000739440080	579687198	/nfs/dbraw/zinc/68/71/98/579687198.db2.gz	RYYXRFOGIFEGBM-UHFFFAOYSA-N	-2	3	347.349	0.882	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCN(C(=O)[O-])C1	ZINC000739870729	579720338	/nfs/dbraw/zinc/72/03/38/579720338.db2.gz	CXSJTWBCXIGZFY-MRVPVSSYSA-N	-2	3	345.333	0.634	20	5		ECBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]CC(F)F)c1-c1nn[n-]n1	ZINC000826499880	588063848	/nfs/dbraw/zinc/06/38/48/588063848.db2.gz	CAZHPUPAJZQFRX-UHFFFAOYSA-N	-2	3	334.264	0.318	20	5		ECBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]CC(F)F)c1-c1nnn[n-]1	ZINC000826499880	588063849	/nfs/dbraw/zinc/06/38/49/588063849.db2.gz	CAZHPUPAJZQFRX-UHFFFAOYSA-N	-2	3	334.264	0.318	20	5		ECBDHL
COC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000516952742	301687608	/nfs/dbraw/zinc/68/76/08/301687608.db2.gz	HDPAJPMSYTWXII-VIFPVBQESA-N	-2	3	332.334	0.590	20	5		ECBDHL
COCC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275014164	436909494	/nfs/dbraw/zinc/90/94/94/436909494.db2.gz	CGFFKOKOWYTSMO-VIFPVBQESA-N	-2	3	348.333	0.371	20	5		ECBDHL
CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(N)=O	ZINC000414316607	438702968	/nfs/dbraw/zinc/70/29/68/438702968.db2.gz	IOHLZAHMRHOONZ-SNVBAGLBSA-N	-2	3	345.333	0.081	20	5		ECBDHL
C[C@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCOC1	ZINC000577225022	438827141	/nfs/dbraw/zinc/82/71/41/438827141.db2.gz	JVNJVHZESNMWSG-CYBMUJFWSA-N	-2	3	344.345	0.998	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000619470842	546330317	/nfs/dbraw/zinc/33/03/17/546330317.db2.gz	ZIVUIZHRLFDADL-IUCAKERBSA-N	-2	3	342.329	0.911	20	5		ECBDHL
CC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000787935099	578822517	/nfs/dbraw/zinc/82/25/17/578822517.db2.gz	LNHLYXJGFYQSQB-JTQLQIEISA-N	-2	3	344.345	0.922	20	5		ECBDHL
CCC(=O)C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776588112	579284960	/nfs/dbraw/zinc/28/49/60/579284960.db2.gz	MOKBTQMRVJTGBH-QMMMGPOBSA-N	-2	3	336.347	0.757	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000291043201	264658672	/nfs/dbraw/zinc/65/86/72/264658672.db2.gz	YNVIZYSYDFWSKO-SECBINFHSA-N	-2	3	348.333	0.371	20	5		ECBDHL
O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000351777479	298836748	/nfs/dbraw/zinc/83/67/48/298836748.db2.gz	CKIBYRZAFRUDNI-LURJTMIESA-N	-2	3	328.668	0.490	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1	ZINC000261681277	436883098	/nfs/dbraw/zinc/88/30/98/436883098.db2.gz	MNPPSSKKYFNLDX-NSHDSACASA-N	-2	3	332.334	0.991	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-]	ZINC000275576043	436985437	/nfs/dbraw/zinc/98/54/37/436985437.db2.gz	GUBSRFOQBHNYFR-CYBMUJFWSA-N	-2	3	346.361	0.655	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000318000626	437194421	/nfs/dbraw/zinc/19/44/21/437194421.db2.gz	HKQIRYFHHYUMQX-JTQLQIEISA-N	-2	3	332.334	0.504	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC000321387582	437212147	/nfs/dbraw/zinc/21/21/47/437212147.db2.gz	WIEVRDGYJONBAL-GFCCVEGCSA-N	-2	3	346.317	0.125	20	5		ECBDHL
C[C@@]1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCOC1	ZINC000575320695	438744541	/nfs/dbraw/zinc/74/45/41/438744541.db2.gz	FCVCDWRJNVWWRK-ZDUSSCGKSA-N	-2	3	344.345	0.998	20	5		ECBDHL
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CO1	ZINC000577956530	438885379	/nfs/dbraw/zinc/88/53/79/438885379.db2.gz	FCYQOCURWCBVSR-IONNQARKSA-N	-2	3	330.318	0.749	20	5		ECBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1	ZINC000516862956	438930480	/nfs/dbraw/zinc/93/04/80/438930480.db2.gz	QTBOMGZDEKKJTM-SKDRFNHKSA-N	-2	3	344.345	0.753	20	5		ECBDHL
C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000519163233	439025667	/nfs/dbraw/zinc/02/56/67/439025667.db2.gz	VCEMVTLEIHWJJG-DTWKUNHWSA-N	-2	3	344.345	0.996	20	5		ECBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]CC2CCOCC2)c1[N+](=O)[O-]	ZINC000582729120	439373218	/nfs/dbraw/zinc/37/32/18/439373218.db2.gz	BALKUKIYEBDAIU-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CC1	ZINC000579718245	322905056	/nfs/dbraw/zinc/90/50/56/322905056.db2.gz	QHBQVJXIMDLNBO-SNVBAGLBSA-N	-2	3	344.345	0.996	20	5		ECBDHL
O=C([O-])C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000760103817	579504584	/nfs/dbraw/zinc/50/45/84/579504584.db2.gz	OAUBWMRIJGWTIV-UHFFFAOYSA-N	-2	3	339.123	0.720	20	5		ECBDHL
CC(C)OC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000844885051	589124388	/nfs/dbraw/zinc/12/43/88/589124388.db2.gz	NVWZXPUTSHAKLE-UHFFFAOYSA-N	-2	3	346.317	0.523	20	5		ECBDHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000846003701	589180650	/nfs/dbraw/zinc/18/06/50/589180650.db2.gz	KZBOHEKAGCUWBH-UHFFFAOYSA-N	-2	3	331.350	0.558	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CC(=O)[O-]	ZINC000530435483	302009899	/nfs/dbraw/zinc/00/98/99/302009899.db2.gz	KFONYGLZXASWHO-SSDOTTSWSA-N	-2	3	338.363	0.733	20	5		ECBDHL
COCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275014160	436909483	/nfs/dbraw/zinc/90/94/83/436909483.db2.gz	CGFFKOKOWYTSMO-SECBINFHSA-N	-2	3	348.333	0.371	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000317360881	437192596	/nfs/dbraw/zinc/19/25/96/437192596.db2.gz	BYOILFHJHBZJLL-SFYZADRCSA-N	-2	3	332.334	0.991	20	5		ECBDHL
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CO1	ZINC000581072750	439166481	/nfs/dbraw/zinc/16/64/81/439166481.db2.gz	BOENJDGFGDQLKB-JGVFFNPUSA-N	-2	3	330.318	0.749	20	5		ECBDHL
COCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000593942929	439499053	/nfs/dbraw/zinc/49/90/53/439499053.db2.gz	FRQOFUWWQSDAHI-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000594573666	439577609	/nfs/dbraw/zinc/57/76/09/439577609.db2.gz	QYMZEEYKAGOPDB-MRVPVSSYSA-N	-2	3	336.297	0.695	20	5		ECBDHL
O=C([O-])CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776437353	579281476	/nfs/dbraw/zinc/28/14/76/579281476.db2.gz	HZYOHWUHWKMBCA-LURJTMIESA-N	-3	3	338.319	0.253	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CN(C(=O)[O-])C1	ZINC000739934606	579723011	/nfs/dbraw/zinc/72/30/11/579723011.db2.gz	ZDRQBCYGFISKJI-UHFFFAOYSA-N	-2	3	331.306	0.244	20	5		ECBDHL
COCCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414319012	208402417	/nfs/dbraw/zinc/40/24/17/208402417.db2.gz	NHIVLIZXNZTUIW-UHFFFAOYSA-N	-2	3	348.333	0.234	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c1	ZINC000274884315	263518820	/nfs/dbraw/zinc/51/88/20/263518820.db2.gz	DLHFZTZXWPAYKE-LURJTMIESA-N	-2	3	338.725	0.280	20	5		ECBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000274991209	263536543	/nfs/dbraw/zinc/53/65/43/263536543.db2.gz	ZFIHPQOUACVTLW-ZETCQYMHSA-N	-2	3	338.725	0.280	20	5		ECBDHL
COCC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275157487	263558071	/nfs/dbraw/zinc/55/80/71/263558071.db2.gz	ZMXPYFYVUOOKPI-JTQLQIEISA-N	-2	3	346.361	0.980	20	5		ECBDHL
CCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])COC1	ZINC000516475745	301667476	/nfs/dbraw/zinc/66/74/76/301667476.db2.gz	JTVAINPMLFLYDM-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1	ZINC000516862954	301682419	/nfs/dbraw/zinc/68/24/19/301682419.db2.gz	QTBOMGZDEKKJTM-CABZTGNLSA-N	-2	3	344.345	0.753	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-]	ZINC000274997117	436907224	/nfs/dbraw/zinc/90/72/24/436907224.db2.gz	LIIOITBQAFWISF-QMMMGPOBSA-N	-2	3	332.334	0.993	20	5		ECBDHL
COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000275169517	436933915	/nfs/dbraw/zinc/93/39/15/436933915.db2.gz	WNSHUJPFUWDJOB-UHFFFAOYSA-N	-2	3	347.349	0.195	20	5		ECBDHL
CCOC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414317280	438702027	/nfs/dbraw/zinc/70/20/27/438702027.db2.gz	JTCZXAGGRGHMPT-UHFFFAOYSA-N	-2	3	332.290	0.134	20	5		ECBDHL
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CO1	ZINC000577956531	438885213	/nfs/dbraw/zinc/88/52/13/438885213.db2.gz	FCYQOCURWCBVSR-VXNVDRBHSA-N	-2	3	330.318	0.749	20	5		ECBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1	ZINC000516862953	438929833	/nfs/dbraw/zinc/92/98/33/438929833.db2.gz	QTBOMGZDEKKJTM-BXKDBHETSA-N	-2	3	344.345	0.753	20	5		ECBDHL
CC[C@H](COC)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566317150	439041389	/nfs/dbraw/zinc/04/13/89/439041389.db2.gz	XXQHDDSEIVMUAD-MRVPVSSYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c([N+](=O)[O-])c1	ZINC000521255065	439112854	/nfs/dbraw/zinc/11/28/54/439112854.db2.gz	WGDLDVURKFOAGK-VIFPVBQESA-N	-2	3	344.345	0.998	20	5		ECBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-]	ZINC000317864414	320710299	/nfs/dbraw/zinc/71/02/99/320710299.db2.gz	PRZUTFIPJVTQDT-YUMQZZPRSA-N	-2	3	332.334	0.991	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCOC1	ZINC000548206410	322151316	/nfs/dbraw/zinc/15/13/16/322151316.db2.gz	AQVLYKXTTUCHDE-ONGXEEELSA-N	-2	3	344.345	0.671	20	5		ECBDHL
COCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000569609623	322659591	/nfs/dbraw/zinc/65/95/91/322659591.db2.gz	VACFTGWKWKJRJQ-QMMMGPOBSA-N	-2	3	332.334	0.996	20	5		ECBDHL
O=C([O-])c1cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c[nH]1	ZINC000759167185	579487188	/nfs/dbraw/zinc/48/71/88/579487188.db2.gz	FCTMWFHXXASXCL-UHFFFAOYSA-N	-2	3	327.278	0.322	20	5		ECBDHL
Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000826396387	588041281	/nfs/dbraw/zinc/04/12/81/588041281.db2.gz	VKUWVBIMPXVEAD-UHFFFAOYSA-N	-2	3	342.275	0.710	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)c1C	ZINC000830426650	588372255	/nfs/dbraw/zinc/37/22/55/588372255.db2.gz	AARQACCBRIRZRH-UHFFFAOYSA-N	-2	3	329.334	0.852	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	ZINC000261799194	165245814	/nfs/dbraw/zinc/24/58/14/165245814.db2.gz	YPGCVEKUSXPMFG-NSHDSACASA-N	-2	3	332.334	0.991	20	5		ECBDHL
COc1ccc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000274987472	263536147	/nfs/dbraw/zinc/53/61/47/263536147.db2.gz	KKDFQRDZXZANSL-BDAKNGLRSA-N	-2	3	342.329	0.911	20	5		ECBDHL
CN(C)C(=O)CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000517944372	301715488	/nfs/dbraw/zinc/71/54/88/301715488.db2.gz	MICQLYQPSRFCIS-UHFFFAOYSA-N	-2	3	345.333	0.050	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000530382281	302006866	/nfs/dbraw/zinc/00/68/66/302006866.db2.gz	DUCUBYONKSSKTJ-JTQLQIEISA-N	-2	3	346.361	0.980	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000530541331	302015288	/nfs/dbraw/zinc/01/52/88/302015288.db2.gz	VYJBGJPIRQUXKF-VIFPVBQESA-N	-2	3	332.334	0.671	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-]	ZINC000291015894	437552981	/nfs/dbraw/zinc/55/29/81/437552981.db2.gz	VLOZMLXWLADMQC-SNVBAGLBSA-N	-2	3	346.361	0.980	20	5		ECBDHL
CO[C@H](C)CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566317503	439041363	/nfs/dbraw/zinc/04/13/63/439041363.db2.gz	RECMHDUAVLTBAO-MRVPVSSYSA-N	-2	3	332.334	0.996	20	5		ECBDHL
Cn1[n-]c([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1=N	ZINC000570285996	439407155	/nfs/dbraw/zinc/40/71/55/439407155.db2.gz	KZBCCLBXYZJMNP-MRVPVSSYSA-N	-2	3	333.308	0.214	20	5		ECBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C(=O)[O-])c1C	ZINC000594719481	439596074	/nfs/dbraw/zinc/59/60/74/439596074.db2.gz	JTTOMQFMQXQMER-KOLCDFICSA-N	-2	3	344.345	0.732	20	5		ECBDHL
COCc1nc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n[n-]1	ZINC000594826822	439623086	/nfs/dbraw/zinc/62/30/86/439623086.db2.gz	FCZXQGAFGYDVGH-UHFFFAOYSA-N	-2	3	341.349	0.646	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])CC(=O)[O-]	ZINC000574572845	439713502	/nfs/dbraw/zinc/71/35/02/439713502.db2.gz	CKKKPQQHXCHXNV-JTQLQIEISA-N	-2	3	346.361	0.980	20	5		ECBDHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCOC1	ZINC000316183609	320706963	/nfs/dbraw/zinc/70/69/63/320706963.db2.gz	YWYPBOBPWYQXKU-NSHDSACASA-N	-2	3	334.281	0.256	20	5		ECBDHL
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[N-]OC/C=C/Cl	ZINC000794303479	578582923	/nfs/dbraw/zinc/58/29/23/578582923.db2.gz	CNCQLTCYAVUJIK-ZZXKWVIFSA-N	-2	3	349.752	0.673	20	5		ECBDHL
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000822458909	587660524	/nfs/dbraw/zinc/66/05/24/587660524.db2.gz	IOTIGXJWYIADDF-UHFFFAOYSA-N	-2	3	344.291	0.624	20	5		ECBDHL
CCO[N-]C(=O)C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1	ZINC000848593590	589301579	/nfs/dbraw/zinc/30/15/79/589301579.db2.gz	NAZVRCOKHCCLGQ-UHFFFAOYSA-N	-2	3	333.247	0.750	20	5		ECBDHL
CC(C)OC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000863416683	590012293	/nfs/dbraw/zinc/01/22/93/590012293.db2.gz	LCOOLFYKVPHBMA-VIFPVBQESA-N	-2	3	332.334	0.751	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])cc1C	ZINC000275029552	436912236	/nfs/dbraw/zinc/91/22/36/436912236.db2.gz	FLTGZZDDAZKNCQ-SECBINFHSA-N	-2	3	332.334	0.326	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000277324681	437209141	/nfs/dbraw/zinc/20/91/41/437209141.db2.gz	UVBFEOKKXWLDDP-LURJTMIESA-N	-2	3	336.297	0.884	20	5		ECBDHL
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000447756781	438677687	/nfs/dbraw/zinc/67/76/87/438677687.db2.gz	HGPUHSLXRMQOOY-AWEZNQCLSA-N	-2	3	334.288	0.115	20	5		ECBDHL
CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])COC1	ZINC000414345347	438703164	/nfs/dbraw/zinc/70/31/64/438703164.db2.gz	SQKQQFHUKIUSNR-UHFFFAOYSA-N	-2	3	344.345	0.998	20	5		ECBDHL
COC[C@](C)([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000328555639	320723151	/nfs/dbraw/zinc/72/31/51/320723151.db2.gz	ZDKJPILBUMTBBF-LBPRGKRZSA-N	-2	3	332.334	0.671	20	5		ECBDHL
Cn1cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000759169096	579487252	/nfs/dbraw/zinc/48/72/52/579487252.db2.gz	LDFJOMLSIGFOCJ-UHFFFAOYSA-N	-2	3	341.305	0.332	20	5		ECBDHL
C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1	ZINC000827375118	588116514	/nfs/dbraw/zinc/11/65/14/588116514.db2.gz	QMNKQQLNABYVQH-VIFPVBQESA-N	-2	3	338.320	0.316	20	5		ECBDHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000021010125	212199650	/nfs/dbraw/zinc/19/96/50/212199650.db2.gz	ILVCJLFYAKXEGA-ANLVUFKYSA-N	-2	3	338.725	0.361	20	5		ECBDHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000021010123	212198872	/nfs/dbraw/zinc/19/88/72/212198872.db2.gz	ILVCJLFYAKXEGA-SSDLBLMSSA-N	-2	3	338.725	0.361	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000282832007	264064727	/nfs/dbraw/zinc/06/47/27/264064727.db2.gz	MNECWEZZGPQZQD-UHFFFAOYSA-N	-2	3	334.281	0.638	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	ZINC000282928551	264070919	/nfs/dbraw/zinc/07/09/19/264070919.db2.gz	TXSZGIYJCBIKGV-UHFFFAOYSA-N	-2	3	330.318	0.889	20	5		ECBDHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000021010127	436114597	/nfs/dbraw/zinc/11/45/97/436114597.db2.gz	ILVCJLFYAKXEGA-CDUCUWFYSA-N	-2	3	338.725	0.361	20	5		ECBDHL
Cn1cc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])cn1	ZINC000547876474	302274021	/nfs/dbraw/zinc/27/40/21/302274021.db2.gz	BTRJXHSVXNZFJO-VIFPVBQESA-N	-2	3	346.346	0.494	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1	ZINC000275205899	436940933	/nfs/dbraw/zinc/94/09/33/436940933.db2.gz	HGVRUGGWBCMHPR-ZETCQYMHSA-N	-2	3	338.725	0.280	20	5		ECBDHL
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000294266526	436944982	/nfs/dbraw/zinc/94/49/82/436944982.db2.gz	OEPVIDYHCZRKJX-ZETCQYMHSA-N	-2	3	334.292	0.127	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000318767616	437198135	/nfs/dbraw/zinc/19/81/35/437198135.db2.gz	AUADKMXFCKGZOM-JTQLQIEISA-N	-2	3	332.334	0.590	20	5		ECBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000290916795	437541783	/nfs/dbraw/zinc/54/17/83/437541783.db2.gz	HAOVJZOTZYXQRD-SECBINFHSA-N	-2	3	336.297	0.502	20	5		ECBDHL
O=C([O-])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000340455588	437652062	/nfs/dbraw/zinc/65/20/62/437652062.db2.gz	VSQZFZZGHGMMGD-UHFFFAOYSA-N	-2	3	339.123	0.720	20	5		ECBDHL
COc1c(C(=O)[N-]c2n[n-]c(S(C)(=O)=O)n2)cccc1[N+](=O)[O-]	ZINC000359369424	438420666	/nfs/dbraw/zinc/42/06/66/438420666.db2.gz	JMKHBRKHRLIJDG-UHFFFAOYSA-N	-2	3	341.305	0.377	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-]	ZINC000388799339	438425478	/nfs/dbraw/zinc/42/54/78/438425478.db2.gz	JJZQBOPLCQJHCL-HTQZYQBOSA-N	-2	3	332.334	0.991	20	5		ECBDHL
CCOC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000589546302	438876338	/nfs/dbraw/zinc/87/63/38/438876338.db2.gz	PMUSXLKJPJCKLO-VIFPVBQESA-N	-2	3	348.333	0.371	20	5		ECBDHL
C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCOC1	ZINC000581670625	439242111	/nfs/dbraw/zinc/24/21/11/439242111.db2.gz	MSALZMVUGWEHMX-CYBMUJFWSA-N	-2	3	344.345	0.998	20	5		ECBDHL
COC(=O)CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000583503782	439473431	/nfs/dbraw/zinc/47/34/31/439473431.db2.gz	PGQYVPJYZPRDTB-UHFFFAOYSA-N	-2	3	332.290	0.134	20	5		ECBDHL
COCc1nc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n[n-]1	ZINC000594828128	439622693	/nfs/dbraw/zinc/62/26/93/439622693.db2.gz	RZHROFXWQMJQHH-UHFFFAOYSA-N	-2	3	345.312	0.477	20	5		ECBDHL
CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548266344	322152752	/nfs/dbraw/zinc/15/27/52/322152752.db2.gz	VKTGKCSNAPYJLG-MNOVXSKESA-N	-2	3	346.361	0.796	20	5		ECBDHL
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CO1	ZINC000568008289	322609992	/nfs/dbraw/zinc/60/99/92/322609992.db2.gz	SVLZFKDWNUNRPE-IONNQARKSA-N	-2	3	330.318	0.749	20	5		ECBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000619470841	546330077	/nfs/dbraw/zinc/33/00/77/546330077.db2.gz	ZIVUIZHRLFDADL-DTWKUNHWSA-N	-2	3	342.329	0.911	20	5		ECBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1	ZINC000776526000	579282923	/nfs/dbraw/zinc/28/29/23/579282923.db2.gz	MXAHHXDZEBAERZ-LBPRGKRZSA-N	-2	3	344.345	0.753	20	5		ECBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-]	ZINC000275087960	263548696	/nfs/dbraw/zinc/54/86/96/263548696.db2.gz	ZYSUHZYZVIMQRJ-QMMMGPOBSA-N	-2	3	332.334	0.993	20	5		ECBDHL
CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1	ZINC000414343616	294455973	/nfs/dbraw/zinc/45/59/73/294455973.db2.gz	QNXJUCSLTUKJBC-LLVKDONJSA-N	-2	3	344.345	0.996	20	5		ECBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c1[N+](=O)[O-]	ZINC000370312759	300814739	/nfs/dbraw/zinc/81/47/39/300814739.db2.gz	BTOSJTGVBLDZDR-ZDUSSCGKSA-N	-2	3	344.345	0.734	20	5		ECBDHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000021011793	436114757	/nfs/dbraw/zinc/11/47/57/436114757.db2.gz	ZJSYZGCLHVVQPL-SSDLBLMSSA-N	-2	3	338.725	0.361	20	5		ECBDHL
COCCN(C)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000274899520	436891253	/nfs/dbraw/zinc/89/12/53/436891253.db2.gz	HWCGCJJKZYAYDQ-UHFFFAOYSA-N	-2	3	333.322	0.528	20	5		ECBDHL
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000294442747	436956089	/nfs/dbraw/zinc/95/60/89/436956089.db2.gz	XWJSRZRCLVVYJI-ZETCQYMHSA-N	-2	3	334.292	0.127	20	5		ECBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2(O)CCC2)c1	ZINC000414317520	438701897	/nfs/dbraw/zinc/70/18/97/438701897.db2.gz	AIJBCZKIAQHBAE-UHFFFAOYSA-N	-2	3	344.345	0.876	20	5		ECBDHL
CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414335965	438702092	/nfs/dbraw/zinc/70/20/92/438702092.db2.gz	HIPYSCMXFIQURQ-YUMQZZPRSA-N	-2	3	332.334	0.995	20	5		ECBDHL
C[C@@H](CN(C)C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000519758974	439059583	/nfs/dbraw/zinc/05/95/83/439059583.db2.gz	NNBHAFGDJNBFBI-QMMMGPOBSA-N	-2	3	331.350	0.521	20	5		ECBDHL
COc1c(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)cc1[N+](=O)[O-]	ZINC000567439741	439143953	/nfs/dbraw/zinc/14/39/53/439143953.db2.gz	HHWXLJIQJKHVMP-JTQLQIEISA-N	-2	3	348.308	0.884	20	5		ECBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC2=CCCOC2)c([N+](=O)[O-])c1	ZINC000581947201	439269007	/nfs/dbraw/zinc/26/90/07/439269007.db2.gz	QXEYDPRGPOGZSI-UHFFFAOYSA-N	-2	3	342.329	0.918	20	5		ECBDHL
Cn1[n-]c([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1=N	ZINC000570285997	439408081	/nfs/dbraw/zinc/40/80/81/439408081.db2.gz	KZBCCLBXYZJMNP-QMMMGPOBSA-N	-2	3	333.308	0.214	20	5		ECBDHL
O=C([O-])[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000594718892	439595894	/nfs/dbraw/zinc/59/58/94/439595894.db2.gz	FAVGALKOZNRITB-WDEREUQCSA-N	-2	3	330.318	0.256	20	5		ECBDHL
O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000618359530	440113470	/nfs/dbraw/zinc/11/34/70/440113470.db2.gz	CTGXWTZUXCUBJO-LLVKDONJSA-N	-2	3	341.287	0.728	20	5		ECBDHL
O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000618359530	440113477	/nfs/dbraw/zinc/11/34/77/440113477.db2.gz	CTGXWTZUXCUBJO-LLVKDONJSA-N	-2	3	341.287	0.728	20	5		ECBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000548206408	322151215	/nfs/dbraw/zinc/15/12/15/322151215.db2.gz	AQVLYKXTTUCHDE-KOLCDFICSA-N	-2	3	344.345	0.671	20	5		ECBDHL
CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1	ZINC000566918629	322561077	/nfs/dbraw/zinc/56/10/77/322561077.db2.gz	LRVCYKICPCUQBD-NSHDSACASA-N	-2	3	344.345	0.996	20	5		ECBDHL
O=C(Oc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000755341961	579432472	/nfs/dbraw/zinc/43/24/72/579432472.db2.gz	NCCDHNKHILBHQU-LLVKDONJSA-N	-2	3	344.283	0.893	20	5		ECBDHL
O=C([O-])C1([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCOCC1	ZINC000800028640	578672940	/nfs/dbraw/zinc/67/29/40/578672940.db2.gz	XYJDUJBWFRRJKL-UHFFFAOYSA-N	-2	3	336.347	0.568	20	5		ECBDHL
O=C([O-])N1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000740489182	579749741	/nfs/dbraw/zinc/74/97/41/579749741.db2.gz	NKKJYNZGKIBFHF-UHFFFAOYSA-N	-2	3	335.725	0.889	20	5		ECBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c1	ZINC000849220833	589323339	/nfs/dbraw/zinc/32/33/39/589323339.db2.gz	HGVRUGGWBCMHPR-SSDOTTSWSA-N	-2	3	338.725	0.280	20	5		ECBDHL