smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(O)cc1	ZINC000844204600	947873565	/nfs/dbraw/zinc/87/35/65/947873565.db2.gz	HKISCVMEMKNEAI-LBPRGKRZSA-N	-2	1	370.314	1.544	20	5		FDBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1N	ZINC001174504797	962884595	/nfs/dbraw/zinc/88/45/95/962884595.db2.gz	KIKBMOWWXBEKLV-UHFFFAOYSA-N	-2	1	351.340	1.984	20	5		FDBDML
C[C@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC001592210706	977255756	/nfs/dbraw/zinc/25/57/56/977255756.db2.gz	FXEMBDBUFHJEAG-YRFDSLTASA-N	-2	1	352.727	1.695	20	5		FDBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCOCC1	ZINC000547909032	542485211	/nfs/dbraw/zinc/48/52/11/542485211.db2.gz	BNGXTWJMXVLMMJ-SECBINFHSA-N	-2	1	364.401	1.205	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)c([N+](=O)[O-])n1	ZINC000548551243	542700177	/nfs/dbraw/zinc/70/01/77/542700177.db2.gz	HXBKVXQBZAKGHA-YGRLFVJLSA-N	-2	1	374.419	1.371	20	5		FDBDML
NC(=O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl	ZINC000028258786	519228899	/nfs/dbraw/zinc/22/88/99/519228899.db2.gz	ITMICCPRTUQILJ-UHFFFAOYSA-N	-2	1	371.758	1.854	20	5		FDBDML
CN(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000739683665	601983381	/nfs/dbraw/zinc/98/33/81/601983381.db2.gz	BRXMWVPVDOJKAL-UHFFFAOYSA-N	-2	1	351.768	1.526	20	5		FDBDML
O=C([O-])N1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000740518025	602592649	/nfs/dbraw/zinc/59/26/49/602592649.db2.gz	CQTFFLMRSRFWNN-QMMMGPOBSA-N	-2	1	363.779	1.669	20	5		FDBDML
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000826272522	608757724	/nfs/dbraw/zinc/75/77/24/608757724.db2.gz	OFGSECALSCPCIQ-UHFFFAOYSA-N	-2	1	361.343	1.279	20	5		FDBDML
CSCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000275133898	674607925	/nfs/dbraw/zinc/60/79/25/674607925.db2.gz	VUZVMVDIKNECMU-QMMMGPOBSA-N	-2	1	352.365	1.219	20	5		FDBDML
O=C([O-])/C=C\C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000788448662	932701227	/nfs/dbraw/zinc/70/12/27/932701227.db2.gz	YFLHNQQOLVKJSQ-UPHRSURJSA-N	-2	1	365.161	1.276	20	5		FDBDML
O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776541903	979025425	/nfs/dbraw/zinc/02/54/25/979025425.db2.gz	LQOGDZWMTONUCX-JTQLQIEISA-N	-2	1	374.758	1.815	20	5		FDBDML
CSCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275011229	181218014	/nfs/dbraw/zinc/21/80/14/181218014.db2.gz	BVLNLOUGJNLQFO-QMMMGPOBSA-N	-2	1	368.820	1.733	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2F)c([N+](=O)[O-])n1	ZINC000547870636	542470077	/nfs/dbraw/zinc/47/00/77/542470077.db2.gz	GRLWJJBHJXVUCL-NSHDSACASA-N	-2	1	372.334	1.055	20	5		FDBDML
CCOC(=O)CCCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000548197149	542581259	/nfs/dbraw/zinc/58/12/59/542581259.db2.gz	WHXSBQGAUAUQTM-UHFFFAOYSA-N	-2	1	360.344	1.378	20	5		FDBDML
CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000031669376	519453089	/nfs/dbraw/zinc/45/30/89/519453089.db2.gz	QGNPKZZFWKMUJS-UHFFFAOYSA-N	-2	1	365.367	1.769	20	5		FDBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000569067360	548783106	/nfs/dbraw/zinc/78/31/06/548783106.db2.gz	HCUWXSMTMKTKKQ-JTQLQIEISA-N	-2	1	356.381	1.803	20	5		FDBDML
CCC1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])(C(=O)[O-])CC1	ZINC000829112899	601260650	/nfs/dbraw/zinc/26/06/50/601260650.db2.gz	PGWCLRBYYDMCQY-UHFFFAOYSA-N	-2	1	357.388	1.692	20	5		FDBDML
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000831590299	601266534	/nfs/dbraw/zinc/26/65/34/601266534.db2.gz	GEJULYLTAIZTDO-LBPRGKRZSA-N	-2	1	366.779	1.406	20	5		FDBDML
O=C([O-])N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc2)CC1	ZINC000740461973	602119926	/nfs/dbraw/zinc/11/99/26/602119926.db2.gz	KUSXLJGAGIBASH-UHFFFAOYSA-N	-2	1	360.330	1.370	20	5		FDBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c([N+](=O)[O-])c1	ZINC000833323595	602319249	/nfs/dbraw/zinc/31/92/49/602319249.db2.gz	PQKJUTDBSRWLSP-UHFFFAOYSA-N	-2	1	363.311	1.365	20	5		FDBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c([N+](=O)[O-])c1	ZINC000833323595	602319251	/nfs/dbraw/zinc/31/92/51/602319251.db2.gz	PQKJUTDBSRWLSP-UHFFFAOYSA-N	-2	1	363.311	1.365	20	5		FDBDML
O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000739925658	605628711	/nfs/dbraw/zinc/62/87/11/605628711.db2.gz	CTPGBWLREMKOFF-QMMMGPOBSA-N	-2	1	363.779	1.669	20	5		FDBDML
CC(C)(C)C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000821248442	944396363	/nfs/dbraw/zinc/39/63/63/944396363.db2.gz	LGRGSVGRMYWNJB-XCBNKYQSSA-N	-2	1	366.417	1.185	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1ccccc1	ZINC000776594393	967278965	/nfs/dbraw/zinc/27/89/65/967278965.db2.gz	BETPMCAFPYNWOM-RYUDHWBXSA-N	-2	1	372.380	1.121	20	5		FDBDML
CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837287055	979270001	/nfs/dbraw/zinc/27/00/01/979270001.db2.gz	ACPHUBPLPXSMNQ-ZCFIWIBFSA-N	-2	1	354.743	1.776	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccsc1	ZINC000776571228	979392909	/nfs/dbraw/zinc/39/29/09/979392909.db2.gz	MIOXNUAJBGYIOY-JTQLQIEISA-N	-2	1	360.344	1.900	20	5		FDBDML
CC[C@](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)(C(=O)[O-])c1ccccc1	ZINC001595160917	979688888	/nfs/dbraw/zinc/68/88/88/979688888.db2.gz	YDTGXRHVADFXHI-QGZVFWFLSA-N	-2	1	359.338	1.858	20	5		FDBDML
CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000530435004	539972506	/nfs/dbraw/zinc/97/25/06/539972506.db2.gz	ALSJXFDDFPWHOC-ZETCQYMHSA-N	-2	1	352.752	1.016	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)c([N+](=O)[O-])n1	ZINC000548551241	542700354	/nfs/dbraw/zinc/70/03/54/542700354.db2.gz	HXBKVXQBZAKGHA-IINYFYTJSA-N	-2	1	374.419	1.371	20	5		FDBDML
O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1	ZINC000367244415	260015508	/nfs/dbraw/zinc/01/55/08/260015508.db2.gz	PXIASURNTMVBEM-UHFFFAOYSA-N	-2	1	364.763	1.160	20	5		FDBDML
CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000060619953	522407386	/nfs/dbraw/zinc/40/73/86/522407386.db2.gz	XXWYIRSVBNWFOQ-UHFFFAOYSA-N	-2	1	365.367	1.803	20	5		FDBDML
Cc1sc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000580021239	550934007	/nfs/dbraw/zinc/93/40/07/550934007.db2.gz	VVRYJOIODMMLFW-RXMQYKEDSA-N	-2	1	362.307	1.649	20	5		FDBDML
O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000580195103	550953780	/nfs/dbraw/zinc/95/37/80/550953780.db2.gz	NVRMQYHQTTYVRQ-UHFFFAOYSA-N	-2	1	352.738	1.666	20	5		FDBDML
CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)[O-]	ZINC000824011474	603470180	/nfs/dbraw/zinc/47/01/80/603470180.db2.gz	OONJAVPPHHEPEL-UHFFFAOYSA-N	-2	1	351.768	1.573	20	5		FDBDML
CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])NC(=O)[O-]	ZINC000824011305	603470997	/nfs/dbraw/zinc/47/09/97/603470997.db2.gz	GHPYSHHBLKCXGD-UHFFFAOYSA-N	-2	1	351.768	1.573	20	5		FDBDML
Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000325455562	676576051	/nfs/dbraw/zinc/57/60/51/676576051.db2.gz	YWRIPHKNMJKFGD-NSHDSACASA-N	-2	1	374.762	1.086	20	5		FDBDML
C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000462099219	684613756	/nfs/dbraw/zinc/61/37/56/684613756.db2.gz	BSXSRHHQYIFCIW-QFIPXVFZSA-N	-2	1	356.381	1.839	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1ccccc1	ZINC000776594391	967278937	/nfs/dbraw/zinc/27/89/37/967278937.db2.gz	BETPMCAFPYNWOM-NWDGAFQWSA-N	-2	1	372.380	1.121	20	5		FDBDML
CC(C)OC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000863418909	972896857	/nfs/dbraw/zinc/89/68/57/972896857.db2.gz	KBEBGFCVGADGJH-VIFPVBQESA-N	-2	1	366.779	1.405	20	5		FDBDML
COC(=O)CC1(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC000274933746	181199408	/nfs/dbraw/zinc/19/94/08/181199408.db2.gz	PLMZIVSJQXIJCS-UHFFFAOYSA-N	-2	1	372.355	1.378	20	5		FDBDML
COC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000831631755	601805804	/nfs/dbraw/zinc/80/58/04/601805804.db2.gz	OIQZVBJGZJPDQQ-LLVKDONJSA-N	-2	1	352.752	1.016	20	5		FDBDML
CCCC[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000826816048	603922663	/nfs/dbraw/zinc/92/26/63/603922663.db2.gz	XRKWTVOTNVTABM-MRVPVSSYSA-N	-2	1	351.406	1.761	20	5		FDBDML
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1	ZINC000414348855	679341242	/nfs/dbraw/zinc/34/12/42/679341242.db2.gz	SCOSYQKCDPCMLS-UHFFFAOYSA-N	-2	1	368.289	1.914	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1	ZINC000776535370	978984475	/nfs/dbraw/zinc/98/44/75/978984475.db2.gz	CHOOEWQCBSDKOF-LBPRGKRZSA-N	-2	1	372.305	1.977	20	5		FDBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000542738523	541456985	/nfs/dbraw/zinc/45/69/85/541456985.db2.gz	GQNDBUSVJQEKQM-UHFFFAOYSA-N	-2	1	366.307	1.792	20	5		FDBDML
Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])no1	ZINC000592136505	551948042	/nfs/dbraw/zinc/94/80/42/551948042.db2.gz	DPRCRRUXOHUHSY-UHFFFAOYSA-N	-2	1	370.343	1.198	20	5		FDBDML
O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000614346231	555040757	/nfs/dbraw/zinc/04/07/57/555040757.db2.gz	QQTDARSGWTTZEY-UHFFFAOYSA-N	-2	1	370.408	1.804	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)ccc1[O-]	ZINC000486540095	686908404	/nfs/dbraw/zinc/90/84/04/686908404.db2.gz	NGKAVHDMBKUJNA-UHFFFAOYSA-N	-2	1	361.339	1.682	20	5		FDBDML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1N	ZINC001176677292	963509109	/nfs/dbraw/zinc/50/91/09/963509109.db2.gz	QQCGWCFFXBWCBM-UHFFFAOYSA-N	-2	1	351.340	1.984	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1ccccc1	ZINC000776594394	967279014	/nfs/dbraw/zinc/27/90/14/967279014.db2.gz	BETPMCAFPYNWOM-VXGBXAGGSA-N	-2	1	372.380	1.121	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C2(CCC(=O)[O-])CCCCC2)c([N+](=O)[O-])n1	ZINC001597898112	989765052	/nfs/dbraw/zinc/76/50/52/989765052.db2.gz	GVXUZJUPFKOXTF-UHFFFAOYSA-N	-2	1	374.419	1.657	20	5		FDBDML
Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1	ZINC000563076423	546389851	/nfs/dbraw/zinc/38/98/51/546389851.db2.gz	YOTITBHZWQAJLU-LURJTMIESA-N	-2	1	356.316	1.024	20	5		FDBDML
O=C([O-])[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000590603347	551797887	/nfs/dbraw/zinc/79/78/87/551797887.db2.gz	XGIZQCREKZGVHA-VIFPVBQESA-N	-2	1	357.369	1.026	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCCC2)c([N+](=O)[O-])n1	ZINC000592144879	551949268	/nfs/dbraw/zinc/94/92/68/551949268.db2.gz	JXYAMBVGEWJZSN-LLVKDONJSA-N	-2	1	374.419	1.513	20	5		FDBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000822270905	607026818	/nfs/dbraw/zinc/02/68/18/607026818.db2.gz	CFBNATUWDWCHGO-UHFFFAOYSA-N	-2	1	367.372	1.341	20	5		FDBDML
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC001601811399	971052177	/nfs/dbraw/zinc/05/21/77/971052177.db2.gz	YVOCGXFJEYXMJQ-MUWHJKNJSA-N	-2	1	366.754	1.919	20	5		FDBDML
CC(C)(C)C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000821248445	944396273	/nfs/dbraw/zinc/39/62/73/944396273.db2.gz	LGRGSVGRMYWNJB-XVKPBYJWSA-N	-2	1	366.417	1.185	20	5		FDBDML
C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000846768695	951542346	/nfs/dbraw/zinc/54/23/46/951542346.db2.gz	CUGXPPJOMSGYKI-RXMQYKEDSA-N	-2	1	357.171	1.901	20	5		FDBDML
O=C([O-])[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1	ZINC001595190282	952277708	/nfs/dbraw/zinc/27/77/08/952277708.db2.gz	QHDDQEJKTPPULT-QWHCGFSZSA-N	-2	1	357.322	1.636	20	5		FDBDML
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c2ccccc21	ZINC001594903183	954651938	/nfs/dbraw/zinc/65/19/38/954651938.db2.gz	SRFKDDQCHSPSNK-NWDGAFQWSA-N	-2	1	363.351	1.581	20	5		FDBDML
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837291508	979272704	/nfs/dbraw/zinc/27/27/04/979272704.db2.gz	GMFUKXXRTLJWHL-UHFFFAOYSA-N	-2	1	354.743	1.919	20	5		FDBDML
CC1(C)CCC[C@@]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])(C(=O)[O-])C1	ZINC001593898710	996761909	/nfs/dbraw/zinc/76/19/09/996761909.db2.gz	FMXSCVJKDYLJSZ-AWEZNQCLSA-N	-2	1	357.388	1.692	20	5		FDBDML
O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000542859101	541490054	/nfs/dbraw/zinc/49/00/54/541490054.db2.gz	PYOFOALPTYUING-UHFFFAOYSA-N	-2	1	357.369	1.271	20	5		FDBDML
C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000298858211	537346722	/nfs/dbraw/zinc/34/67/22/537346722.db2.gz	NZCNPLLZYVXDHS-LURJTMIESA-N	-2	1	367.177	1.499	20	5		FDBDML
O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000432188174	538128130	/nfs/dbraw/zinc/12/81/30/538128130.db2.gz	ZVRTVLWXJWVLKP-UHFFFAOYSA-N	-3	1	366.307	1.792	20	5		FDBDML
Cc1c([N-]S(=O)(=O)C[C@H]2CCCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600659378	553293914	/nfs/dbraw/zinc/29/39/14/553293914.db2.gz	OREMQURUWFBEAA-LLVKDONJSA-N	-2	1	358.372	1.912	20	5		FDBDML
COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000600661031	553294405	/nfs/dbraw/zinc/29/44/05/553294405.db2.gz	VUSWTOQYFSAZEC-UHFFFAOYSA-N	-2	1	374.371	1.542	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000611164740	554610930	/nfs/dbraw/zinc/61/09/30/554610930.db2.gz	ZOHORVLJACLPIL-RXMQYKEDSA-N	-2	1	353.150	1.109	20	5		FDBDML
O=C([O-])NC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000832515160	603135721	/nfs/dbraw/zinc/13/57/21/603135721.db2.gz	POJKENAMWOQWNJ-IUCAKERBSA-N	-2	1	363.417	1.761	20	5		FDBDML
C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776451962	604410065	/nfs/dbraw/zinc/41/00/65/604410065.db2.gz	WMWZXCRAIIWHQO-ZCFIWIBFSA-N	-2	1	367.177	1.356	20	5		FDBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1	ZINC000474418177	685406651	/nfs/dbraw/zinc/40/66/51/685406651.db2.gz	XQTYJJPDTBEDAR-UHFFFAOYSA-N	-2	1	363.311	1.365	20	5		FDBDML
Cc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000600651288	553291557	/nfs/dbraw/zinc/29/15/57/553291557.db2.gz	GBHIBSCMMSJOIS-NSHDSACASA-N	-2	1	368.371	1.131	20	5		FDBDML
C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1	ZINC000738922094	602707456	/nfs/dbraw/zinc/70/74/56/602707456.db2.gz	ABSVAJNBEGLXDT-ZDUSSCGKSA-N	-2	1	361.351	1.449	20	5		FDBDML
CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000788698801	932787541	/nfs/dbraw/zinc/78/75/41/932787541.db2.gz	KXIHOLMASTTXOH-QMMMGPOBSA-N	-2	1	352.752	1.016	20	5		FDBDML
CC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000863407288	972877525	/nfs/dbraw/zinc/87/75/25/972877525.db2.gz	GMFKJNVXVXGPJG-QMMMGPOBSA-N	-2	1	368.726	1.098	20	5		FDBDML
O=C([O-])Cc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776537589	979003212	/nfs/dbraw/zinc/00/32/12/979003212.db2.gz	PYIDCCYVDPLRGY-UHFFFAOYSA-N	-2	1	356.381	1.762	20	5		FDBDML
COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837286960	979270200	/nfs/dbraw/zinc/27/02/00/979270200.db2.gz	QCUNCWQXPGVBAL-MRVPVSSYSA-N	-2	1	370.742	1.155	20	5		FDBDML
C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1	ZINC001589469469	986943328	/nfs/dbraw/zinc/94/33/28/986943328.db2.gz	SSQIDTGDOSYUHJ-MFKMUULPSA-N	-2	1	365.367	1.730	20	5		FDBDML
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275016319	181218650	/nfs/dbraw/zinc/21/86/50/181218650.db2.gz	NZOUSQHDTDCGFE-SECBINFHSA-N	-2	1	364.763	1.349	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)(C)CC2)c([N+](=O)[O-])n1	ZINC000542859968	541490067	/nfs/dbraw/zinc/49/00/67/541490067.db2.gz	YXPDICIVHUJPPK-UHFFFAOYSA-N	-2	1	374.419	1.513	20	5		FDBDML
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000547869913	542470396	/nfs/dbraw/zinc/47/03/96/542470396.db2.gz	RNXVHYYPUVOTDC-UHFFFAOYSA-N	-2	1	366.307	1.823	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c([N+](=O)[O-])n1	ZINC000548551240	542700213	/nfs/dbraw/zinc/70/02/13/542700213.db2.gz	HXBKVXQBZAKGHA-HZMBPMFUSA-N	-2	1	374.419	1.371	20	5		FDBDML
CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000285158562	537638169	/nfs/dbraw/zinc/63/81/69/537638169.db2.gz	PEYDXIJVIYEMQH-VIFPVBQESA-N	-2	1	364.351	1.281	20	5		FDBDML
CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000570049592	549141226	/nfs/dbraw/zinc/14/12/26/549141226.db2.gz	FBQMLTAPSUJPMZ-UHFFFAOYSA-N	-2	1	369.355	1.630	20	5		FDBDML
CC(C)c1cc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])on1	ZINC000593309618	552087010	/nfs/dbraw/zinc/08/70/10/552087010.db2.gz	BYRYRQSRJQOVMM-UHFFFAOYSA-N	-2	1	369.355	1.883	20	5		FDBDML
CCC(CC)(CNC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000739255270	602564211	/nfs/dbraw/zinc/56/42/11/602564211.db2.gz	YWTSMMBDWZTVCN-UHFFFAOYSA-N	-2	1	363.367	1.839	20	5		FDBDML
O=C([O-])NCC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1	ZINC000740620166	602564796	/nfs/dbraw/zinc/56/47/96/602564796.db2.gz	MJNYFPQBJKKTSV-UHFFFAOYSA-N	-2	1	361.351	1.593	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1	ZINC000825501414	603111583	/nfs/dbraw/zinc/11/15/83/603111583.db2.gz	DGHROWJBNSYUFP-VHSXEESVSA-N	-2	1	358.376	1.047	20	5		FDBDML
Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1[N+](=O)[O-]	ZINC000826271336	608757344	/nfs/dbraw/zinc/75/73/44/608757344.db2.gz	NKGBSTNXFMUMMW-UHFFFAOYSA-N	-2	1	361.343	1.279	20	5		FDBDML
O=C([O-])Cn1cnc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1	ZINC001595160347	952191097	/nfs/dbraw/zinc/19/10/97/952191097.db2.gz	KOEFAQFEQCCALA-UHFFFAOYSA-N	-2	1	359.220	1.542	20	5		FDBDML
CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC001596911907	985915278	/nfs/dbraw/zinc/91/52/78/985915278.db2.gz	NNXGGSOCIVPAHU-SNVBAGLBSA-N	-2	1	355.347	1.285	20	5		FDBDML
COc1cccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)c1[N+](=O)[O-]	ZINC001599642299	994376561	/nfs/dbraw/zinc/37/65/61/994376561.db2.gz	CKTQQVLIUGTUCU-UHFFFAOYSA-N	-2	1	352.328	1.724	20	5		FDBDML
CSCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275011224	181217959	/nfs/dbraw/zinc/21/79/59/181217959.db2.gz	BVLNLOUGJNLQFO-MRVPVSSYSA-N	-2	1	368.820	1.733	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@@H](C)C2)c([N+](=O)[O-])n1	ZINC000558590435	544475879	/nfs/dbraw/zinc/47/58/79/544475879.db2.gz	KDKSVJYGIUJJLJ-RNCFNFMXSA-N	-2	1	360.392	1.123	20	5		FDBDML
CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000045298907	522067026	/nfs/dbraw/zinc/06/70/26/522067026.db2.gz	ZMCYTAVGBXZFKX-UHFFFAOYSA-N	-2	1	351.340	1.461	20	5		FDBDML
COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1	ZINC000427828779	538240710	/nfs/dbraw/zinc/24/07/10/538240710.db2.gz	QGDANDSWBQXAAC-UHFFFAOYSA-N	-2	1	373.372	1.079	20	5		FDBDML
CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000594847862	552407506	/nfs/dbraw/zinc/40/75/06/552407506.db2.gz	BSIKFROQHPMCHA-KOLCDFICSA-N	-2	1	357.388	1.548	20	5		FDBDML
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1	ZINC000832898809	601234097	/nfs/dbraw/zinc/23/40/97/601234097.db2.gz	ULNQCIHEMXVGKG-UHFFFAOYSA-N	-2	1	369.311	1.429	20	5		FDBDML
Nc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000751147294	601832041	/nfs/dbraw/zinc/83/20/41/601832041.db2.gz	UAXYTQSRDCQENK-UHFFFAOYSA-N	-2	1	373.293	1.954	20	5		FDBDML
O=C([O-])c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000833343786	602116468	/nfs/dbraw/zinc/11/64/68/602116468.db2.gz	OJXKBIUEVAHQIN-UHFFFAOYSA-N	-2	1	372.336	1.854	20	5		FDBDML
O=C([O-])N1CCC[C@@H](CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000831979819	603116353	/nfs/dbraw/zinc/11/63/53/603116353.db2.gz	ATFFICQWHAWKJJ-JTQLQIEISA-N	-2	1	358.376	1.048	20	5		FDBDML
CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)on1	ZINC000515839289	689898015	/nfs/dbraw/zinc/89/80/15/689898015.db2.gz	FNABIKNYKABUTO-UHFFFAOYSA-N	-2	1	369.355	1.630	20	5		FDBDML
O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000776542684	979031527	/nfs/dbraw/zinc/03/15/27/979031527.db2.gz	UHOLUFZYJGGBMD-JTQLQIEISA-N	-2	1	358.303	1.301	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])n1	ZINC000548224325	542591405	/nfs/dbraw/zinc/59/14/05/542591405.db2.gz	YQWVZIXPBJJAEL-NSHDSACASA-N	-2	1	372.334	1.055	20	5		FDBDML
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])n1	ZINC000567896226	548314717	/nfs/dbraw/zinc/31/47/17/548314717.db2.gz	SRXQRSXKZZUKGQ-ZCFIWIBFSA-N	-2	1	356.316	1.024	20	5		FDBDML
CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000603466056	553791952	/nfs/dbraw/zinc/79/19/52/553791952.db2.gz	NBQQKUWHGISFNS-UHFFFAOYSA-N	-2	1	351.340	1.461	20	5		FDBDML
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000831584148	601266440	/nfs/dbraw/zinc/26/64/40/601266440.db2.gz	CXRDAKFNTHUNLA-LBPRGKRZSA-N	-2	1	366.779	1.406	20	5		FDBDML
O=C([O-])NCCc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1	ZINC000740672676	602037838	/nfs/dbraw/zinc/03/78/38/602037838.db2.gz	OWRKYPNUCZNQMI-UHFFFAOYSA-N	-2	1	360.326	1.436	20	5		FDBDML
CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000738813662	602567310	/nfs/dbraw/zinc/56/73/10/602567310.db2.gz	ZTZGVDFZULFHFF-VIFPVBQESA-N	-2	1	363.367	1.695	20	5		FDBDML
O=C([O-])NC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000832520918	603135568	/nfs/dbraw/zinc/13/55/68/603135568.db2.gz	HYDHHTSCAFBVSY-NXEZZACHSA-N	-2	1	358.376	1.095	20	5		FDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1	ZINC000508220725	688716745	/nfs/dbraw/zinc/71/67/45/688716745.db2.gz	ZUBMACNNZHEWAK-UHFFFAOYSA-N	-2	1	351.340	1.509	20	5		FDBDML
C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000844819229	948416402	/nfs/dbraw/zinc/41/64/02/948416402.db2.gz	UQEPPDMZDABVFU-LURJTMIESA-N	-2	1	366.754	1.919	20	5		FDBDML
O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21	ZINC001594903449	954653255	/nfs/dbraw/zinc/65/32/55/954653255.db2.gz	UYZVQHIQTNALOX-NEPJUHHUSA-N	-2	1	363.351	1.581	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000776504273	978730717	/nfs/dbraw/zinc/73/07/17/978730717.db2.gz	RTBFIDHPVAJVEN-WRWORJQWSA-N	-2	1	364.763	1.016	20	5		FDBDML
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548264566	542604707	/nfs/dbraw/zinc/60/47/07/542604707.db2.gz	MIOSGCKXOQAESH-NXEZZACHSA-N	-2	1	366.779	1.141	20	5		FDBDML
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])n1	ZINC000574986502	550404857	/nfs/dbraw/zinc/40/48/57/550404857.db2.gz	NHABKCIJAIIQBY-ZCFIWIBFSA-N	-2	1	356.316	1.024	20	5		FDBDML
Cc1nn(C)c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c1[N+](=O)[O-]	ZINC000738906973	600535930	/nfs/dbraw/zinc/53/59/30/600535930.db2.gz	ZJEDHZHCTRBGJD-UHFFFAOYSA-N	-2	1	354.348	1.148	20	5		FDBDML
Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833091458	601856752	/nfs/dbraw/zinc/85/67/52/601856752.db2.gz	PXCCYKNIHVRCPG-UHFFFAOYSA-N	-2	1	355.303	1.815	20	5		FDBDML
O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000740614382	603070659	/nfs/dbraw/zinc/07/06/59/603070659.db2.gz	RMTGKMXEQAKCRB-SECBINFHSA-N	-2	1	363.779	1.573	20	5		FDBDML
O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000275216168	674616635	/nfs/dbraw/zinc/61/66/35/674616635.db2.gz	IBCNWDJWIRDAGM-SSDOTTSWSA-N	-2	1	360.241	1.418	20	5		FDBDML
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1C(N)=O	ZINC000499284423	687931134	/nfs/dbraw/zinc/93/11/34/687931134.db2.gz	QZLFQPQNQKXWBU-UHFFFAOYSA-N	-2	1	365.367	1.817	20	5		FDBDML
O=C1CCc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2N1	ZINC000525534705	694628051	/nfs/dbraw/zinc/62/80/51/694628051.db2.gz	OGYJPTGRXKPEAF-UHFFFAOYSA-N	-2	1	363.351	1.986	20	5		FDBDML
C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000844819231	948416265	/nfs/dbraw/zinc/41/62/65/948416265.db2.gz	UQEPPDMZDABVFU-ZCFIWIBFSA-N	-2	1	366.754	1.919	20	5		FDBDML
CCO[N-]C(=O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000846003356	950317788	/nfs/dbraw/zinc/31/77/88/950317788.db2.gz	WJEBCVHJLACLTP-UHFFFAOYSA-N	-2	1	372.186	1.248	20	5		FDBDML
O=C([O-])Cn1cnc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC001606360864	973819136	/nfs/dbraw/zinc/81/91/36/973819136.db2.gz	VDXCVKRNBNPXAN-UHFFFAOYSA-N	-2	1	359.220	1.542	20	5		FDBDML
COc1cc(C=C2SC(=O)[N-]C2=O)c([N+](=O)[O-])cc1OCC(=O)[O-]	ZINC000874926923	990628291	/nfs/dbraw/zinc/62/82/91/990628291.db2.gz	BJCBUQLXUWGZMY-XCVCLJGOSA-N	-2	1	354.296	1.391	20	5		FDBDML
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000542731684	541455137	/nfs/dbraw/zinc/45/51/37/541455137.db2.gz	WZWTUOUIQQYTSN-UHFFFAOYSA-N	-2	1	366.307	1.792	20	5		FDBDML
CCOC(=O)Cc1nnc([N-]C(=O)c2cc([O-])ccc2[N+](=O)[O-])s1	ZINC000552374585	543458752	/nfs/dbraw/zinc/45/87/52/543458752.db2.gz	GGWZFHGXQZSRDL-UHFFFAOYSA-N	-2	1	352.328	1.510	20	5		FDBDML
O=C([O-])NC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCCC1	ZINC000834155897	605877565	/nfs/dbraw/zinc/87/75/65/605877565.db2.gz	QGMXXJKBKXUIKY-UHFFFAOYSA-N	-2	1	372.403	1.629	20	5		FDBDML
Cc1cc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-]	ZINC000822211609	607026216	/nfs/dbraw/zinc/02/62/16/607026216.db2.gz	HKZMQNOWFTXXGH-UHFFFAOYSA-N	-2	1	367.372	1.341	20	5		FDBDML
Cc1noc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000822522397	607155971	/nfs/dbraw/zinc/15/59/71/607155971.db2.gz	IKPSLNPBVZWAEM-UHFFFAOYSA-N	-2	1	365.331	1.181	20	5		FDBDML
Cc1noc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000822522397	607155972	/nfs/dbraw/zinc/15/59/72/607155972.db2.gz	IKPSLNPBVZWAEM-UHFFFAOYSA-N	-2	1	365.331	1.181	20	5		FDBDML
COC(=O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1C	ZINC000439567949	681935190	/nfs/dbraw/zinc/93/51/90/681935190.db2.gz	HXJQRNCJSYKOFU-UHFFFAOYSA-N	-2	1	355.328	1.226	20	5		FDBDML
C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000521058818	690380946	/nfs/dbraw/zinc/38/09/46/690380946.db2.gz	FMUGKKGSZCZBGG-JOCHJYFZSA-N	-2	1	356.381	1.839	20	5		FDBDML
O=C([O-])CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC001602024652	971124329	/nfs/dbraw/zinc/12/43/29/971124329.db2.gz	YTLCRAGRHBXUTF-UHFFFAOYSA-N	-2	1	371.140	1.249	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001594208861	959282262	/nfs/dbraw/zinc/28/22/62/959282262.db2.gz	WVUUKCDGYFZIJZ-SCSAIBSYSA-N	-2	1	371.140	1.248	20	5		FDBDML
CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776565523	979367007	/nfs/dbraw/zinc/36/70/07/979367007.db2.gz	TUHWKXCHAHZHRO-VIFPVBQESA-N	-2	1	350.780	1.883	20	5		FDBDML
O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000282932914	182079670	/nfs/dbraw/zinc/07/96/70/182079670.db2.gz	UENOUWLTINFVDR-UHFFFAOYSA-N	-2	1	365.161	1.253	20	5		FDBDML
O=C([O-])CCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000040446554	519643923	/nfs/dbraw/zinc/64/39/23/519643923.db2.gz	KXLPQNFGDIOWRC-UHFFFAOYSA-N	-2	1	367.177	1.500	20	5		FDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CNC2=O	ZINC000564492663	546931144	/nfs/dbraw/zinc/93/11/44/546931144.db2.gz	QLLPGSXNSAIVEX-UHFFFAOYSA-N	-2	1	363.351	1.653	20	5		FDBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000569067362	548783601	/nfs/dbraw/zinc/78/36/01/548783601.db2.gz	HCUWXSMTMKTKKQ-SNVBAGLBSA-N	-2	1	356.381	1.803	20	5		FDBDML
O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000832490173	603134397	/nfs/dbraw/zinc/13/43/97/603134397.db2.gz	KDTYFPBNFDTWCM-WCBMZHEXSA-N	-2	1	361.351	1.449	20	5		FDBDML
CCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])on1	ZINC000833671180	605397524	/nfs/dbraw/zinc/39/75/24/605397524.db2.gz	GWACRPPIKYTRGG-UHFFFAOYSA-N	-2	1	355.328	1.322	20	5		FDBDML
O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000739926391	605628477	/nfs/dbraw/zinc/62/84/77/605628477.db2.gz	HQARZMZQUJRHKC-VIFPVBQESA-N	-2	1	363.779	1.669	20	5		FDBDML
O=C([O-])c1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC001595255569	949601570	/nfs/dbraw/zinc/60/15/70/949601570.db2.gz	UBMZNOSQRXWHBU-UHFFFAOYSA-N	-2	1	354.315	1.911	20	5		FDBDML
C[C@@](NC(=O)C(=O)c1ccc([O-])cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001592990332	980178844	/nfs/dbraw/zinc/17/88/44/980178844.db2.gz	ALZRMBMOQSJPDF-KRWDZBQOSA-N	-2	1	358.306	1.599	20	5		FDBDML
O=C([O-])c1cc(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000739471477	1012775471	/nfs/dbraw/zinc/77/54/71/1012775471.db2.gz	KOKKTSLMOAZMSA-UHFFFAOYSA-N	-2	1	360.326	1.710	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)c([N+](=O)[O-])n1	ZINC000547870635	542470276	/nfs/dbraw/zinc/47/02/76/542470276.db2.gz	GRLWJJBHJXVUCL-LLVKDONJSA-N	-2	1	372.334	1.055	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])n1	ZINC000547914397	542486452	/nfs/dbraw/zinc/48/64/52/542486452.db2.gz	BKPFHMXRUQWACD-UHFFFAOYSA-N	-2	1	368.371	1.030	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2(C)CCCCC2)c([N+](=O)[O-])n1	ZINC000548684082	542752406	/nfs/dbraw/zinc/75/24/06/542752406.db2.gz	OYEHGTLZICDCSA-LLVKDONJSA-N	-2	1	374.419	1.513	20	5		FDBDML
Cc1oc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1C(=O)[O-]	ZINC000324737186	537619692	/nfs/dbraw/zinc/61/96/92/537619692.db2.gz	KWYNONSJIXPWKM-UHFFFAOYSA-N	-2	1	358.303	1.812	20	5		FDBDML
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOC(F)(F)F)c1	ZINC000414354173	537787913	/nfs/dbraw/zinc/78/79/13/537787913.db2.gz	ZZKMCUHHRNOKTL-UHFFFAOYSA-N	-2	1	358.250	1.108	20	5		FDBDML
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)F	ZINC000570884696	549447418	/nfs/dbraw/zinc/44/74/18/549447418.db2.gz	NKFAJXGVQBFETG-ZCFIWIBFSA-N	-2	1	372.733	1.883	20	5		FDBDML
CCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])o1	ZINC000576948366	550603311	/nfs/dbraw/zinc/60/33/11/550603311.db2.gz	VNPYQKPFLSGSKL-UHFFFAOYSA-N	-2	1	369.355	1.630	20	5		FDBDML
C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1	ZINC000600654616	553292180	/nfs/dbraw/zinc/29/21/80/553292180.db2.gz	BJZNSEBEDKAJNY-CABZTGNLSA-N	-2	1	368.371	1.069	20	5		FDBDML
O=C([O-])N1CCCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000740519045	602867026	/nfs/dbraw/zinc/86/70/26/602867026.db2.gz	MBNGEERACSGPGC-SECBINFHSA-N	-2	1	361.351	1.545	20	5		FDBDML
O=C([O-])NC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000832515161	603135697	/nfs/dbraw/zinc/13/56/97/603135697.db2.gz	POJKENAMWOQWNJ-RKDXNWHRSA-N	-2	1	363.417	1.761	20	5		FDBDML
CC(C)C[C@H](NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000826794470	604265031	/nfs/dbraw/zinc/26/50/31/604265031.db2.gz	YJOKBNASGMREAN-LBPRGKRZSA-N	-2	1	354.315	1.073	20	5		FDBDML
C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1	ZINC000825396645	604583054	/nfs/dbraw/zinc/58/30/54/604583054.db2.gz	CBULEHFVHUPHBB-SECBINFHSA-N	-2	1	360.326	1.954	20	5		FDBDML
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1	ZINC000327685621	676594680	/nfs/dbraw/zinc/59/46/80/676594680.db2.gz	PPGDNNYAOCAYRQ-UHFFFAOYSA-N	-2	1	370.314	1.998	20	5		FDBDML
Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000526059380	694643275	/nfs/dbraw/zinc/64/32/75/694643275.db2.gz	HQUQRXKSDLJFMX-SNVBAGLBSA-N	-2	1	357.369	1.464	20	5		FDBDML
O=C([O-])/C=C/C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000788448661	932701363	/nfs/dbraw/zinc/70/13/63/932701363.db2.gz	YFLHNQQOLVKJSQ-OWOJBTEDSA-N	-2	1	365.161	1.276	20	5		FDBDML
O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000776602555	967423843	/nfs/dbraw/zinc/42/38/43/967423843.db2.gz	SCPZQQHISQQNHW-VIFPVBQESA-N	-2	1	364.401	1.205	20	5		FDBDML
C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000274967330	181207835	/nfs/dbraw/zinc/20/78/35/181207835.db2.gz	VTSMMWNIZSNKOH-LURJTMIESA-N	-2	1	367.177	1.356	20	5		FDBDML
O=C([O-])[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000548236055	542596288	/nfs/dbraw/zinc/59/62/88/542596288.db2.gz	UTUZGDIHTXYMQH-JTQLQIEISA-N	-2	1	372.380	1.336	20	5		FDBDML
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)F	ZINC000561385982	545829683	/nfs/dbraw/zinc/82/96/83/545829683.db2.gz	WIFVVNRFZPTZQF-ZCFIWIBFSA-N	-2	1	356.278	1.368	20	5		FDBDML
C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])N(C)C1CC1	ZINC000567276737	548061770	/nfs/dbraw/zinc/06/17/70/548061770.db2.gz	UDRVHBXYAXBIRC-SECBINFHSA-N	-2	1	357.388	1.054	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000576462359	550551414	/nfs/dbraw/zinc/55/14/14/550551414.db2.gz	YOPTUZJJMXNBLX-NSHDSACASA-N	-2	1	374.419	1.513	20	5		FDBDML
O=C([O-])[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000590603346	551797703	/nfs/dbraw/zinc/79/77/03/551797703.db2.gz	XGIZQCREKZGVHA-SECBINFHSA-N	-2	1	357.369	1.026	20	5		FDBDML
COc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000738008860	600946315	/nfs/dbraw/zinc/94/63/15/600946315.db2.gz	RRZZCVXABOBAPL-UHFFFAOYSA-N	-2	1	367.339	1.175	20	5		FDBDML
O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1	ZINC000740123755	600947258	/nfs/dbraw/zinc/94/72/58/600947258.db2.gz	LGDINNSEFXCWKQ-UHFFFAOYSA-N	-2	1	351.340	1.209	20	5		FDBDML
C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)[O-]	ZINC000738909166	601984909	/nfs/dbraw/zinc/98/49/09/601984909.db2.gz	ZTLVFWTZEKPKCA-SSDOTTSWSA-N	-2	1	351.768	1.573	20	5		FDBDML
O=C([O-])c1cc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c(F)cc1F	ZINC000833303982	602310026	/nfs/dbraw/zinc/31/00/26/602310026.db2.gz	DAKOXPDJMMDQFF-UHFFFAOYSA-N	-2	1	374.281	1.272	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])n1	ZINC000833681499	604509573	/nfs/dbraw/zinc/50/95/73/604509573.db2.gz	ANZGBLKMKQGKNF-NSHDSACASA-N	-2	1	360.392	1.123	20	5		FDBDML
Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-]	ZINC000822266498	607025909	/nfs/dbraw/zinc/02/59/09/607025909.db2.gz	BKRRROFSCAUXAY-UHFFFAOYSA-N	-2	1	367.372	1.341	20	5		FDBDML
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)c(F)c1	ZINC000823645194	607027376	/nfs/dbraw/zinc/02/73/76/607027376.db2.gz	PEBHRRZEAARIMO-UHFFFAOYSA-N	-2	1	371.335	1.171	20	5		FDBDML
O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(O)c1	ZINC000324318447	676568977	/nfs/dbraw/zinc/56/89/77/676568977.db2.gz	GYADQWCTNONQCM-UHFFFAOYSA-N	-2	1	352.324	1.941	20	5		FDBDML
Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C(N)=O	ZINC000504972708	688469038	/nfs/dbraw/zinc/46/90/38/688469038.db2.gz	JVQKFCYUTFRPAX-UHFFFAOYSA-N	-2	1	351.340	1.509	20	5		FDBDML
CCCSC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000776482857	978598014	/nfs/dbraw/zinc/59/80/14/978598014.db2.gz	AVOJCLYVOONUAI-VIFPVBQESA-N	-2	1	366.392	1.609	20	5		FDBDML
O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000534799106	540413779	/nfs/dbraw/zinc/41/37/79/540413779.db2.gz	IQPRENORSSVPEK-SNVBAGLBSA-N	-2	1	356.381	1.631	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC2CCCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547889444	542478891	/nfs/dbraw/zinc/47/88/91/542478891.db2.gz	QJWIFQQYEONGDJ-SNVBAGLBSA-N	-2	1	360.392	1.123	20	5		FDBDML
CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000032595837	519516495	/nfs/dbraw/zinc/51/64/95/519516495.db2.gz	GTONTMGIRJPTGR-UHFFFAOYSA-N	-2	1	371.396	1.767	20	5		FDBDML
O=C([O-])c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1	ZINC000432194348	538128892	/nfs/dbraw/zinc/12/88/92/538128892.db2.gz	OHEPBNNYRABLRD-UHFFFAOYSA-N	-2	1	372.336	1.854	20	5		FDBDML
O=C([O-])CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000501215117	538640884	/nfs/dbraw/zinc/64/08/84/538640884.db2.gz	AWCWLLFCBNNFRV-UHFFFAOYSA-N	-2	1	351.340	1.892	20	5		FDBDML
CC(C)c1ncc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[n-]1	ZINC000827152851	601243621	/nfs/dbraw/zinc/24/36/21/601243621.db2.gz	LCYVDEZWRFERFB-UHFFFAOYSA-N	-2	1	355.328	1.907	20	5		FDBDML
CC(C)c1nc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c[n-]1	ZINC000827152851	601243624	/nfs/dbraw/zinc/24/36/24/601243624.db2.gz	LCYVDEZWRFERFB-UHFFFAOYSA-N	-2	1	355.328	1.907	20	5		FDBDML
Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000833053393	602115196	/nfs/dbraw/zinc/11/51/96/602115196.db2.gz	SMPUXPQMFFALLS-UHFFFAOYSA-N	-2	1	369.311	1.131	20	5		FDBDML
CS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(C(=O)[O-])c1	ZINC000832713731	602249719	/nfs/dbraw/zinc/24/97/19/602249719.db2.gz	LTIZJUCKZQOEGC-UHFFFAOYSA-N	-2	1	353.312	1.277	20	5		FDBDML
CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274908244	674597837	/nfs/dbraw/zinc/59/78/37/674597837.db2.gz	JUQQFQPNXADOEP-QMMMGPOBSA-N	-2	1	368.820	1.733	20	5		FDBDML
C[C@@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC001592210703	977255799	/nfs/dbraw/zinc/25/57/99/977255799.db2.gz	FXEMBDBUFHJEAG-SZKDQXIBSA-N	-2	1	352.727	1.695	20	5		FDBDML
Cn1cc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000776495471	978706557	/nfs/dbraw/zinc/70/65/57/978706557.db2.gz	FAMQHWKSNVJHMX-LLVKDONJSA-N	-2	1	374.762	1.086	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1F	ZINC000776442469	978749152	/nfs/dbraw/zinc/74/91/52/978749152.db2.gz	FRILGMPQCRZNSW-LLVKDONJSA-N	-2	1	360.344	1.900	20	5		FDBDML
C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1	ZINC001589469465	986941732	/nfs/dbraw/zinc/94/17/32/986941732.db2.gz	SSQIDTGDOSYUHJ-GWCFXTLKSA-N	-2	1	365.367	1.730	20	5		FDBDML
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000275270776	181276124	/nfs/dbraw/zinc/27/61/24/181276124.db2.gz	NEPYSJPYSDCORP-MGCOHNPYSA-N	-2	1	360.363	1.903	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)c([N+](=O)[O-])n1	ZINC000548235271	542595397	/nfs/dbraw/zinc/59/53/97/542595397.db2.gz	GFCYTJRIMPBLLF-UHFFFAOYSA-N	-2	1	374.419	1.515	20	5		FDBDML
O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000548572031	542706973	/nfs/dbraw/zinc/70/69/73/542706973.db2.gz	IQPRENORSSVPEK-JTQLQIEISA-N	-2	1	356.381	1.631	20	5		FDBDML
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000560416775	545002238	/nfs/dbraw/zinc/00/22/38/545002238.db2.gz	GAWHINPBCHVGCU-ZETCQYMHSA-N	-2	1	356.278	1.526	20	5		FDBDML
CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000036748151	519627061	/nfs/dbraw/zinc/62/70/61/519627061.db2.gz	QFDNWKQNUVYXCU-UHFFFAOYSA-N	-2	1	372.380	1.505	20	5		FDBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1	ZINC000057269635	522053278	/nfs/dbraw/zinc/05/32/78/522053278.db2.gz	WRCARLPPNSGSGO-UHFFFAOYSA-N	-2	1	361.336	1.209	20	5		FDBDML
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000298858214	537346883	/nfs/dbraw/zinc/34/68/83/537346883.db2.gz	NZCNPLLZYVXDHS-ZCFIWIBFSA-N	-2	1	367.177	1.499	20	5		FDBDML
Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432197064	538128874	/nfs/dbraw/zinc/12/88/74/538128874.db2.gz	VMHQPRMONQIDSF-UHFFFAOYSA-N	-2	1	366.351	1.895	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000570375155	549255723	/nfs/dbraw/zinc/25/57/23/549255723.db2.gz	AZUYGCDFIUNFPA-WDEREUQCSA-N	-2	1	374.419	1.513	20	5		FDBDML
Cc1cc(N2CCN(c3nc(=N)[n-]s3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000573094707	550062723	/nfs/dbraw/zinc/06/27/23/550062723.db2.gz	YYMMWNPINZUCCU-UHFFFAOYSA-N	-2	1	364.387	1.362	20	5		FDBDML
CC(C)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])on1	ZINC000591256285	551853944	/nfs/dbraw/zinc/85/39/44/551853944.db2.gz	AEMLODWMZGPOAC-UHFFFAOYSA-N	-2	1	369.355	1.883	20	5		FDBDML
CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)on1	ZINC000592140578	551948575	/nfs/dbraw/zinc/94/85/75/551948575.db2.gz	AWSPVAIYHOPRHU-UHFFFAOYSA-N	-2	1	369.355	1.883	20	5		FDBDML
Cc1c([N-]S(=O)(=O)CCOCC2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600654652	553292307	/nfs/dbraw/zinc/29/23/07/553292307.db2.gz	AQRZJRQRMHEQIZ-UHFFFAOYSA-N	-2	1	358.372	1.770	20	5		FDBDML
O=C([O-])[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1cccc(F)c1	ZINC000739410095	599985060	/nfs/dbraw/zinc/98/50/60/599985060.db2.gz	YKOUUNQFWCOULB-JTQLQIEISA-N	-2	1	363.301	1.508	20	5		FDBDML
COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000831590298	601266503	/nfs/dbraw/zinc/26/65/03/601266503.db2.gz	GEJULYLTAIZTDO-GFCCVEGCSA-N	-2	1	366.779	1.406	20	5		FDBDML
O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1	ZINC000321509699	676562404	/nfs/dbraw/zinc/56/24/04/676562404.db2.gz	HRAZHKXIFYPJHR-UHFFFAOYSA-N	-2	1	361.332	1.367	20	5		FDBDML
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000484243819	686579383	/nfs/dbraw/zinc/57/93/83/686579383.db2.gz	KNWQYXCZNYQZDD-UHFFFAOYSA-N	-2	1	361.339	1.678	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000485038369	686672242	/nfs/dbraw/zinc/67/22/42/686672242.db2.gz	YARAVPXORTYWSB-VIFPVBQESA-N	-2	1	362.408	1.369	20	5		FDBDML
Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000742231561	925979052	/nfs/dbraw/zinc/97/90/52/925979052.db2.gz	LCWZHZQDTDYQDW-UHFFFAOYSA-N	-2	1	355.303	1.815	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC001594844878	954129908	/nfs/dbraw/zinc/12/99/08/954129908.db2.gz	YBJBSPGGLUFZQS-LLVKDONJSA-N	-2	1	360.344	1.900	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1	ZINC000776471307	978355612	/nfs/dbraw/zinc/35/56/12/978355612.db2.gz	CZYWFBMDOOWCMI-LBPRGKRZSA-N	-2	1	372.305	1.977	20	5		FDBDML
COC(=O)CC1(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])CC1	ZINC000274935714	181199836	/nfs/dbraw/zinc/19/98/36/181199836.db2.gz	DFCPEUHGYWYPRR-UHFFFAOYSA-N	-2	1	372.355	1.378	20	5		FDBDML
C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000274967335	181207762	/nfs/dbraw/zinc/20/77/62/181207762.db2.gz	VTSMMWNIZSNKOH-ZCFIWIBFSA-N	-2	1	367.177	1.356	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC(C)(C)C2)c([N+](=O)[O-])n1	ZINC000551997373	543401670	/nfs/dbraw/zinc/40/16/70/543401670.db2.gz	BFGTZPCAWYAXEZ-CYBMUJFWSA-N	-2	1	360.392	1.123	20	5		FDBDML
C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])N(C)C1CC1	ZINC000567276738	548061756	/nfs/dbraw/zinc/06/17/56/548061756.db2.gz	UDRVHBXYAXBIRC-VIFPVBQESA-N	-2	1	357.388	1.054	20	5		FDBDML
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1	ZINC000574045369	550251522	/nfs/dbraw/zinc/25/15/22/550251522.db2.gz	QDGHAYLKGNQNAV-KOLCDFICSA-N	-2	1	369.399	1.197	20	5		FDBDML
Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000611226506	554617511	/nfs/dbraw/zinc/61/75/11/554617511.db2.gz	GGLKKNXEVCERBI-UHFFFAOYSA-N	-2	1	371.396	1.878	20	5		FDBDML
O=C([O-])[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1ccc(O)cc1	ZINC000739396123	600179680	/nfs/dbraw/zinc/17/96/80/600179680.db2.gz	CUAZBBOMJDHHOT-JTQLQIEISA-N	-2	1	361.310	1.074	20	5		FDBDML
CCC(CC)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])NC(=O)[O-]	ZINC000826561249	603478264	/nfs/dbraw/zinc/47/82/64/603478264.db2.gz	QIXCSYUPFUWWSP-UHFFFAOYSA-N	-2	1	363.367	1.839	20	5		FDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1-c1nnn[n-]1	ZINC000823648415	607154783	/nfs/dbraw/zinc/15/47/83/607154783.db2.gz	WPBFICTVGZMNGK-UHFFFAOYSA-N	-2	1	364.318	1.715	20	5		FDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1-c1nn[n-]n1	ZINC000823648415	607154784	/nfs/dbraw/zinc/15/47/84/607154784.db2.gz	WPBFICTVGZMNGK-UHFFFAOYSA-N	-2	1	364.318	1.715	20	5		FDBDML
Cc1nc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)cn2n1	ZINC000439249833	681917627	/nfs/dbraw/zinc/91/76/27/681917627.db2.gz	SKGUEZNCSMHQIH-UHFFFAOYSA-N	-2	1	363.355	1.761	20	5		FDBDML
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)F	ZINC000809226666	940788175	/nfs/dbraw/zinc/78/81/75/940788175.db2.gz	HAKBBUAXKLXHOF-ZCFIWIBFSA-N	-2	1	372.733	1.883	20	5		FDBDML
COC(=O)c1ccc(N)cc1S(=O)(=O)[N-]c1cc([O-])cc([N+](=O)[O-])c1	ZINC001201230088	974974528	/nfs/dbraw/zinc/97/45/28/974974528.db2.gz	XNKKMCCKQATMMT-UHFFFAOYSA-N	-2	1	367.339	1.470	20	5		FDBDML
CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837287054	979270145	/nfs/dbraw/zinc/27/01/45/979270145.db2.gz	ACPHUBPLPXSMNQ-LURJTMIESA-N	-2	1	354.743	1.776	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548260998	542603629	/nfs/dbraw/zinc/60/36/29/542603629.db2.gz	ZTEJXRMQYNFPCI-VHSXEESVSA-N	-2	1	362.408	1.369	20	5		FDBDML
CCCSC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000548573610	542706986	/nfs/dbraw/zinc/70/69/86/542706986.db2.gz	GGWQXSSKZNCFNC-SSDOTTSWSA-N	-2	1	354.431	1.531	20	5		FDBDML
C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000270498033	674219227	/nfs/dbraw/zinc/21/92/27/674219227.db2.gz	NHCQROHIBWFKAR-LURJTMIESA-N	-2	1	367.177	1.499	20	5		FDBDML
Cn1c2cc([O-])c(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2n(C)c1=O	ZINC000461625835	538537059	/nfs/dbraw/zinc/53/70/59/538537059.db2.gz	KASAFYMNIFLPHK-UHFFFAOYSA-N	-2	1	358.310	1.449	20	5		FDBDML
CCCc1ncc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])o1	ZINC000570401221	549266646	/nfs/dbraw/zinc/26/66/46/549266646.db2.gz	LVVOYLVEEMRUQA-UHFFFAOYSA-N	-2	1	369.355	1.712	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000593945226	552231479	/nfs/dbraw/zinc/23/14/79/552231479.db2.gz	OTDHWBYJOLUKGN-LPEHRKFASA-N	-2	1	357.388	1.404	20	5		FDBDML
O=C([O-])Cc1nc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1	ZINC000833270006	601199831	/nfs/dbraw/zinc/19/98/31/601199831.db2.gz	IRXUMYJXRCEJGI-UHFFFAOYSA-N	-2	1	370.119	1.355	20	5		FDBDML
COC[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000831631756	601805762	/nfs/dbraw/zinc/80/57/62/601805762.db2.gz	OIQZVBJGZJPDQQ-NSHDSACASA-N	-2	1	352.752	1.016	20	5		FDBDML
O=C([O-])N1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000738641107	601983014	/nfs/dbraw/zinc/98/30/14/601983014.db2.gz	UCJJAPLUWMBLCG-UHFFFAOYSA-N	-2	1	363.779	1.669	20	5		FDBDML
CCC(CC)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000739254530	602564034	/nfs/dbraw/zinc/56/40/34/602564034.db2.gz	PDTQNLVCDZILFN-UHFFFAOYSA-N	-2	1	351.406	1.761	20	5		FDBDML
O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000832490172	603134404	/nfs/dbraw/zinc/13/44/04/603134404.db2.gz	KDTYFPBNFDTWCM-SCZZXKLOSA-N	-2	1	361.351	1.449	20	5		FDBDML
O=C([O-])NC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000832515159	603135652	/nfs/dbraw/zinc/13/56/52/603135652.db2.gz	POJKENAMWOQWNJ-DTWKUNHWSA-N	-2	1	363.417	1.761	20	5		FDBDML
CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1C	ZINC000467303713	684853624	/nfs/dbraw/zinc/85/36/24/684853624.db2.gz	DSDNSXYBEMFMLP-UHFFFAOYSA-N	-2	1	369.355	1.616	20	5		FDBDML
COC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cn1C	ZINC000499263910	687927517	/nfs/dbraw/zinc/92/75/17/687927517.db2.gz	GSBCRUGJKZIBGU-UHFFFAOYSA-N	-2	1	369.355	1.535	20	5		FDBDML
C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000846768696	951542150	/nfs/dbraw/zinc/54/21/50/951542150.db2.gz	CUGXPPJOMSGYKI-YFKPBYRVSA-N	-2	1	357.171	1.901	20	5		FDBDML
O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c2ccccc21	ZINC001594903182	954651828	/nfs/dbraw/zinc/65/18/28/954651828.db2.gz	SRFKDDQCHSPSNK-NEPJUHHUSA-N	-2	1	363.351	1.581	20	5		FDBDML
O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000776542685	979031667	/nfs/dbraw/zinc/03/16/67/979031667.db2.gz	UHOLUFZYJGGBMD-SNVBAGLBSA-N	-2	1	358.303	1.301	20	5		FDBDML
CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837286539	979269926	/nfs/dbraw/zinc/26/99/26/979269926.db2.gz	JANUPZASVVIGCN-SNVBAGLBSA-N	-2	1	354.743	1.775	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1	ZINC001593346235	994949141	/nfs/dbraw/zinc/94/91/41/994949141.db2.gz	XCIRNKCGYQVYHO-ZETCQYMHSA-N	-2	1	357.369	1.789	20	5		FDBDML
CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])o1	ZINC000522003770	539530488	/nfs/dbraw/zinc/53/04/88/539530488.db2.gz	KLYUQMHZOHDILR-UHFFFAOYSA-N	-2	1	369.355	1.712	20	5		FDBDML
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000036321212	519620205	/nfs/dbraw/zinc/62/02/05/519620205.db2.gz	PJUSMERZPVPUKY-UHFFFAOYSA-N	-2	1	352.324	1.888	20	5		FDBDML
C[C@@H](CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000592448526	551997312	/nfs/dbraw/zinc/99/73/12/551997312.db2.gz	LZVSOTKMDWXVTA-ZETCQYMHSA-N	-2	1	354.431	1.389	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1F	ZINC000614337013	555039723	/nfs/dbraw/zinc/03/97/23/555039723.db2.gz	CXKKHANWIDXHIQ-CYBMUJFWSA-N	-2	1	372.305	1.977	20	5		FDBDML
Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000481465215	567965972	/nfs/dbraw/zinc/96/59/72/567965972.db2.gz	KDSTVTZENBKMTH-UHFFFAOYSA-N	-2	1	369.337	1.891	20	5		FDBDML
O=C([O-])c1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1O	ZINC000326241924	600176936	/nfs/dbraw/zinc/17/69/36/600176936.db2.gz	XTYRKRGRKDAUHG-UHFFFAOYSA-N	-2	1	354.296	1.505	20	5		FDBDML
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)F	ZINC000809226665	940788096	/nfs/dbraw/zinc/78/80/96/940788096.db2.gz	HAKBBUAXKLXHOF-LURJTMIESA-N	-2	1	372.733	1.883	20	5		FDBDML
CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776616628	967529764	/nfs/dbraw/zinc/52/97/64/967529764.db2.gz	POLQEUGQSSGXTP-KOLCDFICSA-N	-2	1	366.779	1.141	20	5		FDBDML
C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000547240388	542288967	/nfs/dbraw/zinc/28/89/67/542288967.db2.gz	POIPHYXTKJIQEN-QHCPKHFHSA-N	-2	1	370.408	1.980	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)CC2)c([N+](=O)[O-])n1	ZINC000558591174	544477020	/nfs/dbraw/zinc/47/70/20/544477020.db2.gz	MJDWIKKNKLHJDV-UHFFFAOYSA-N	-2	1	360.392	1.123	20	5		FDBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1	ZINC000432180813	538125570	/nfs/dbraw/zinc/12/55/70/538125570.db2.gz	XSWZQZRBMXBJEL-UHFFFAOYSA-N	-2	1	366.307	1.823	20	5		FDBDML
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1	ZINC000563076424	546390543	/nfs/dbraw/zinc/39/05/43/546390543.db2.gz	YOTITBHZWQAJLU-ZCFIWIBFSA-N	-2	1	356.316	1.024	20	5		FDBDML
O=C([O-])c1cccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1[N+](=O)[O-]	ZINC000584473531	551502764	/nfs/dbraw/zinc/50/27/64/551502764.db2.gz	FVYHIEOXMLSCBO-UHFFFAOYSA-N	-2	1	368.289	1.914	20	5		FDBDML
O=C(N=c1nc(C2CCOCC2)[n-]s1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000600515830	553280037	/nfs/dbraw/zinc/28/00/37/553280037.db2.gz	XVOJZZHHKRIFGB-UHFFFAOYSA-N	-2	1	351.344	1.115	20	5		FDBDML
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000270508909	597146299	/nfs/dbraw/zinc/14/62/99/597146299.db2.gz	OWLKHMKMNXAEDM-SSDOTTSWSA-N	-2	1	367.177	1.499	20	5		FDBDML
O=C([O-])NC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000832520919	603135524	/nfs/dbraw/zinc/13/55/24/603135524.db2.gz	HYDHHTSCAFBVSY-UWVGGRQHSA-N	-2	1	358.376	1.095	20	5		FDBDML
O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000834078813	605426998	/nfs/dbraw/zinc/42/69/98/605426998.db2.gz	VQYKGNYRBGHUGY-MRVPVSSYSA-N	-2	1	363.779	1.526	20	5		FDBDML
O=C([O-])[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC001594843874	954111192	/nfs/dbraw/zinc/11/11/92/954111192.db2.gz	UKJNBAXMYFJTSU-LLVKDONJSA-N	-2	1	369.330	1.103	20	5		FDBDML
COc1cnc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[n-]c1=O	ZINC001180053917	965090525	/nfs/dbraw/zinc/09/05/25/965090525.db2.gz	JMVNQPUIAIOQFK-LLVKDONJSA-N	-2	1	360.326	1.782	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC001605910000	972770009	/nfs/dbraw/zinc/77/00/09/972770009.db2.gz	MKJCZSAXWWUQMS-NSHDSACASA-N	-2	1	355.303	1.233	20	5		FDBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1cccnc1	ZINC000547939214	542494402	/nfs/dbraw/zinc/49/44/02/542494402.db2.gz	BAAJRCSSMYECEP-JTQLQIEISA-N	-2	1	371.396	1.273	20	5		FDBDML
CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1	ZINC000414344665	537786527	/nfs/dbraw/zinc/78/65/27/537786527.db2.gz	ODFRLWRSSGGJLF-UHFFFAOYSA-N	-2	1	369.355	1.630	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000576462358	550551498	/nfs/dbraw/zinc/55/14/98/550551498.db2.gz	YOPTUZJJMXNBLX-LLVKDONJSA-N	-2	1	374.419	1.513	20	5		FDBDML
CCc1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1	ZINC000581254987	551068816	/nfs/dbraw/zinc/06/88/16/551068816.db2.gz	UTRCSSKIWYCPKH-UHFFFAOYSA-N	-2	1	372.384	1.185	20	5		FDBDML
CC(C)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])on1	ZINC000592140656	551948541	/nfs/dbraw/zinc/94/85/41/551948541.db2.gz	LDBXNZMBRGLRMS-UHFFFAOYSA-N	-2	1	369.355	1.883	20	5		FDBDML
O=C([O-])NC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000832520921	603136296	/nfs/dbraw/zinc/13/62/96/603136296.db2.gz	HYDHHTSCAFBVSY-ZJUUUORDSA-N	-2	1	358.376	1.095	20	5		FDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000436993595	605150312	/nfs/dbraw/zinc/15/03/12/605150312.db2.gz	DSJAMKNZNWFOKG-UHFFFAOYSA-N	-2	1	368.323	1.813	20	5		FDBDML
O=C([O-])NC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1	ZINC000834156213	605407988	/nfs/dbraw/zinc/40/79/88/605407988.db2.gz	WKADESBEMRUMOS-UHFFFAOYSA-N	-2	1	363.779	1.717	20	5		FDBDML
O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000834078557	605426573	/nfs/dbraw/zinc/42/65/73/605426573.db2.gz	RIAYXJOGLCDTCN-QMMMGPOBSA-N	-2	1	363.779	1.526	20	5		FDBDML
O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000834078555	605426923	/nfs/dbraw/zinc/42/69/23/605426923.db2.gz	RIAYXJOGLCDTCN-MRVPVSSYSA-N	-2	1	363.779	1.526	20	5		FDBDML
C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000833531995	605637420	/nfs/dbraw/zinc/63/74/20/605637420.db2.gz	MSIMWCOYZODRSX-SECBINFHSA-N	-2	1	366.326	1.169	20	5		FDBDML
CNC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1	ZINC000508253974	688720003	/nfs/dbraw/zinc/72/00/03/688720003.db2.gz	JWBFWPJZHQJYKG-UHFFFAOYSA-N	-2	1	365.367	1.769	20	5		FDBDML
Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000526059379	694643300	/nfs/dbraw/zinc/64/33/00/694643300.db2.gz	HQUQRXKSDLJFMX-JTQLQIEISA-N	-2	1	357.369	1.464	20	5		FDBDML
Nc1ccnc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1[N+](=O)[O-]	ZINC001167935847	811005171	/nfs/dbraw/zinc/00/51/71/811005171.db2.gz	SJZWKFZDCNLUSJ-UHFFFAOYSA-N	-2	1	350.271	1.657	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(O)cc1	ZINC000844205913	947874526	/nfs/dbraw/zinc/87/45/26/947874526.db2.gz	SAXHFJABSLAGPB-NSHDSACASA-N	-2	1	358.353	1.466	20	5		FDBDML
Nc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccc1O	ZINC001174505408	962886417	/nfs/dbraw/zinc/88/64/17/962886417.db2.gz	VURXGUDACBKEHI-UHFFFAOYSA-N	-2	1	353.312	1.382	20	5		FDBDML
Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1O	ZINC001176679394	963510031	/nfs/dbraw/zinc/51/00/31/963510031.db2.gz	IPVLCSHBNXYCSX-UHFFFAOYSA-N	-2	1	353.312	1.382	20	5		FDBDML
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000843303359	969234153	/nfs/dbraw/zinc/23/41/53/969234153.db2.gz	PZIOCGSAHKAOGH-RQJHMYQMSA-N	-2	1	366.754	1.919	20	5		FDBDML
C[C@](CCF)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001592508549	978336117	/nfs/dbraw/zinc/33/61/17/978336117.db2.gz	ZKSDPVVCZJSINK-LLVKDONJSA-N	-2	1	354.743	1.729	20	5		FDBDML
COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275150898	181249458	/nfs/dbraw/zinc/24/94/58/181249458.db2.gz	YNZDFYFIZMHYBN-QMMMGPOBSA-N	-2	1	352.752	1.016	20	5		FDBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCOCC1	ZINC000547909033	542485168	/nfs/dbraw/zinc/48/51/68/542485168.db2.gz	BNGXTWJMXVLMMJ-VIFPVBQESA-N	-2	1	364.401	1.205	20	5		FDBDML
CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000575804590	550477943	/nfs/dbraw/zinc/47/79/43/550477943.db2.gz	AHYNYTHUKGUYCN-UHFFFAOYSA-N	-2	1	369.355	1.630	20	5		FDBDML
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1	ZINC000593312910	552088025	/nfs/dbraw/zinc/08/80/25/552088025.db2.gz	NZGVRIDAJDLBOV-ZCFIWIBFSA-N	-2	1	356.316	1.024	20	5		FDBDML
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000436622377	568059256	/nfs/dbraw/zinc/05/92/56/568059256.db2.gz	ZBGIGSRCVIMMPS-UHFFFAOYSA-N	-2	1	367.339	1.166	20	5		FDBDML
CC(C)c1ncc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[n-]1	ZINC000827153582	601219782	/nfs/dbraw/zinc/21/97/82/601219782.db2.gz	UIWOWPGNGFVWFS-UHFFFAOYSA-N	-2	1	355.328	1.907	20	5		FDBDML
CC(C)c1nc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c[n-]1	ZINC000827153582	601219785	/nfs/dbraw/zinc/21/97/85/601219785.db2.gz	UIWOWPGNGFVWFS-UHFFFAOYSA-N	-2	1	355.328	1.907	20	5		FDBDML
CC(C)N(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000738848178	602388949	/nfs/dbraw/zinc/38/89/49/602388949.db2.gz	KJGHTLUBQSYTGN-UHFFFAOYSA-N	-2	1	351.406	1.713	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2)c([N+](=O)[O-])n1	ZINC000516881850	604506201	/nfs/dbraw/zinc/50/62/01/604506201.db2.gz	IEQYSJREYQTVHS-NSHDSACASA-N	-2	1	368.371	1.306	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])n1	ZINC000833681498	604510009	/nfs/dbraw/zinc/51/00/09/604510009.db2.gz	ANZGBLKMKQGKNF-LLVKDONJSA-N	-2	1	360.392	1.123	20	5		FDBDML
O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000275216172	674616582	/nfs/dbraw/zinc/61/65/82/674616582.db2.gz	IBCNWDJWIRDAGM-ZETCQYMHSA-N	-2	1	360.241	1.418	20	5		FDBDML
CC(C)(C)C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000821248440	944396430	/nfs/dbraw/zinc/39/64/30/944396430.db2.gz	LGRGSVGRMYWNJB-OIBJUYFYSA-N	-2	1	366.417	1.185	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1	ZINC001594842336	954090287	/nfs/dbraw/zinc/09/02/87/954090287.db2.gz	CHOOEWQCBSDKOF-GFCCVEGCSA-N	-2	1	372.305	1.977	20	5		FDBDML
CC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000863407287	972878128	/nfs/dbraw/zinc/87/81/28/972878128.db2.gz	GMFKJNVXVXGPJG-MRVPVSSYSA-N	-2	1	368.726	1.098	20	5		FDBDML
C[C@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC001592210704	977255878	/nfs/dbraw/zinc/25/58/78/977255878.db2.gz	FXEMBDBUFHJEAG-VROIDLATSA-N	-2	1	352.727	1.695	20	5		FDBDML
CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275012639	181217953	/nfs/dbraw/zinc/21/79/53/181217953.db2.gz	NNNBJHKNAUCPRP-MRVPVSSYSA-N	-2	1	350.780	1.883	20	5		FDBDML
CCCSC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000548573611	542707238	/nfs/dbraw/zinc/70/72/38/542707238.db2.gz	GGWQXSSKZNCFNC-ZETCQYMHSA-N	-2	1	354.431	1.531	20	5		FDBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1	ZINC000555426762	543955944	/nfs/dbraw/zinc/95/59/44/543955944.db2.gz	XTVRKCSQORAENF-JTQLQIEISA-N	-2	1	372.380	1.467	20	5		FDBDML
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000560416773	545001998	/nfs/dbraw/zinc/00/19/98/545001998.db2.gz	GAWHINPBCHVGCU-SSDOTTSWSA-N	-2	1	356.278	1.526	20	5		FDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)[nH]c21	ZINC000573174072	550079396	/nfs/dbraw/zinc/07/93/96/550079396.db2.gz	CXRMEIGXMPASKQ-UHFFFAOYSA-N	-2	1	364.339	1.992	20	5		FDBDML
C[C@H](CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000592448525	551997238	/nfs/dbraw/zinc/99/72/38/551997238.db2.gz	LZVSOTKMDWXVTA-SSDOTTSWSA-N	-2	1	354.431	1.389	20	5		FDBDML
Cn1c2cc([O-])c(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2n(C)c1=O	ZINC000436618372	568058913	/nfs/dbraw/zinc/05/89/13/568058913.db2.gz	LBUQWRVACKQHTL-UHFFFAOYSA-N	-2	1	358.310	1.449	20	5		FDBDML
CC(C)([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000736341206	599981029	/nfs/dbraw/zinc/98/10/29/599981029.db2.gz	NIIFUZNVBCOUNX-UHFFFAOYSA-N	-2	1	367.177	1.499	20	5		FDBDML
Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1	ZINC000738890018	600540693	/nfs/dbraw/zinc/54/06/93/600540693.db2.gz	XSPJRCOZYTTYRP-UHFFFAOYSA-N	-2	1	351.344	1.809	20	5		FDBDML
O=C([O-])NC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000740615453	603072043	/nfs/dbraw/zinc/07/20/43/603072043.db2.gz	ZNAFMDOJEPKLJQ-VIFPVBQESA-N	-2	1	363.779	1.573	20	5		FDBDML
O=C([O-])NC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1	ZINC000832223035	603110783	/nfs/dbraw/zinc/11/07/83/603110783.db2.gz	HRYHYOAOFYVKQB-UHFFFAOYSA-N	-2	1	358.376	1.239	20	5		FDBDML
O=C([O-])N1CCC[C@H](CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000831979820	603116356	/nfs/dbraw/zinc/11/63/56/603116356.db2.gz	ATFFICQWHAWKJJ-SNVBAGLBSA-N	-2	1	358.376	1.048	20	5		FDBDML
O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000832490174	603134293	/nfs/dbraw/zinc/13/42/93/603134293.db2.gz	KDTYFPBNFDTWCM-WPRPVWTQSA-N	-2	1	361.351	1.449	20	5		FDBDML
Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1[N+](=O)[O-]	ZINC000826243209	608101410	/nfs/dbraw/zinc/10/14/10/608101410.db2.gz	YTTSSEOCVJFZPY-UHFFFAOYSA-N	-2	1	361.343	1.279	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)ccc1[O-]	ZINC000373086354	678022345	/nfs/dbraw/zinc/02/23/45/678022345.db2.gz	BSDQMKBMYLQGJW-UHFFFAOYSA-N	-2	1	361.339	1.886	20	5		FDBDML
C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC000846770639	955728108	/nfs/dbraw/zinc/72/81/08/955728108.db2.gz	VSPINFCULVTFAC-RXMQYKEDSA-N	-2	1	357.171	1.901	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(O)cc1	ZINC000776521538	978872295	/nfs/dbraw/zinc/87/22/95/978872295.db2.gz	SAXHFJABSLAGPB-LLVKDONJSA-N	-2	1	358.353	1.466	20	5		FDBDML
COc1ccc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC001599532074	997672751	/nfs/dbraw/zinc/67/27/51/997672751.db2.gz	NXJZLVDUXDXPOT-LBPRGKRZSA-N	-2	1	372.380	1.769	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000559329468	544645837	/nfs/dbraw/zinc/64/58/37/544645837.db2.gz	XLFZKIFUFKHDBB-ZJUUUORDSA-N	-2	1	360.392	1.123	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)c([N+](=O)[O-])n1	ZINC000576224565	550524883	/nfs/dbraw/zinc/52/48/83/550524883.db2.gz	XMJUPIFUGVBBGS-UHFFFAOYSA-N	-2	1	360.392	1.267	20	5		FDBDML
O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c([N+](=O)[O-])c1	ZINC000593310978	552087229	/nfs/dbraw/zinc/08/72/29/552087229.db2.gz	OQVOTLRGWACZFU-JTQLQIEISA-N	-2	1	350.299	1.759	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000593945224	552231752	/nfs/dbraw/zinc/23/17/52/552231752.db2.gz	OTDHWBYJOLUKGN-KXUCPTDWSA-N	-2	1	357.388	1.404	20	5		FDBDML
Cc1ccc([C@@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)[O-])cc1C	ZINC000600665169	553295759	/nfs/dbraw/zinc/29/57/59/553295759.db2.gz	OEYXXZJQCGZJCL-GFCCVEGCSA-N	-2	1	368.371	1.049	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCCC(C)(C)C2)c([N+](=O)[O-])n1	ZINC000600665456	553296127	/nfs/dbraw/zinc/29/61/27/553296127.db2.gz	RRJQQMHLHYLDTA-CQSZACIVSA-N	-2	1	374.419	1.513	20	5		FDBDML
O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cc([N+](=O)[O-])cnc1[O-]	ZINC000600839815	553321026	/nfs/dbraw/zinc/32/10/26/553321026.db2.gz	QGTFCJVGYZAODR-UHFFFAOYSA-N	-2	1	351.344	1.115	20	5		FDBDML
O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000600839815	553321038	/nfs/dbraw/zinc/32/10/38/553321038.db2.gz	QGTFCJVGYZAODR-UHFFFAOYSA-N	-2	1	351.344	1.115	20	5		FDBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1	ZINC000833164944	600775307	/nfs/dbraw/zinc/77/53/07/600775307.db2.gz	ZLNNCMVQFXBMKL-NSHDSACASA-N	-2	1	351.340	1.137	20	5		FDBDML
COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000831584145	601266354	/nfs/dbraw/zinc/26/63/54/601266354.db2.gz	CXRDAKFNTHUNLA-GFCCVEGCSA-N	-2	1	366.779	1.406	20	5		FDBDML
O=C([O-])NC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1	ZINC000740548085	601987872	/nfs/dbraw/zinc/98/78/72/601987872.db2.gz	KZVFHKVDOGOSGF-UHFFFAOYSA-N	-2	1	363.417	1.905	20	5		FDBDML
O=C([O-])c1ccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1	ZINC000833110929	604265486	/nfs/dbraw/zinc/26/54/86/604265486.db2.gz	ALQGLPRWLSDMQP-UHFFFAOYSA-N	-2	1	360.278	1.794	20	5		FDBDML
O=C([O-])NC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1	ZINC000834156229	605407694	/nfs/dbraw/zinc/40/76/94/605407694.db2.gz	XDGPHBXAIUNZAO-UHFFFAOYSA-N	-2	1	363.779	1.717	20	5		FDBDML
CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414334142	679339334	/nfs/dbraw/zinc/33/93/34/679339334.db2.gz	GBOVVCBCOOQHQN-UHFFFAOYSA-N	-2	1	369.355	1.630	20	5		FDBDML
Cc1c[n+]([O-])c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cc1[N+](=O)[O-]	ZINC001167934469	810978518	/nfs/dbraw/zinc/97/85/18/810978518.db2.gz	SYFCCOMVRXXYAV-UHFFFAOYSA-N	-2	1	365.282	1.621	20	5		FDBDML
O=[N+]([O-])c1cc[n+]([O-])c(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1F	ZINC001167934989	810988267	/nfs/dbraw/zinc/98/82/67/810988267.db2.gz	ZBLVWENNVDCOCY-UHFFFAOYSA-N	-2	1	369.245	1.452	20	5		FDBDML
O=[N+]([O-])c1cc[n+]([O-])c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1F	ZINC001167934989	810988269	/nfs/dbraw/zinc/98/82/69/810988269.db2.gz	ZBLVWENNVDCOCY-UHFFFAOYSA-N	-2	1	369.245	1.452	20	5		FDBDML
Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1N	ZINC001176679014	963510169	/nfs/dbraw/zinc/51/01/69/963510169.db2.gz	DUHQQARIVMPQSD-UHFFFAOYSA-N	-2	1	352.328	1.258	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(O)cc1	ZINC000776520856	978871791	/nfs/dbraw/zinc/87/17/91/978871791.db2.gz	HKISCVMEMKNEAI-GFCCVEGCSA-N	-2	1	370.314	1.544	20	5		FDBDML
O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776541904	979025327	/nfs/dbraw/zinc/02/53/27/979025327.db2.gz	LQOGDZWMTONUCX-SNVBAGLBSA-N	-2	1	374.758	1.815	20	5		FDBDML
CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275016323	181218228	/nfs/dbraw/zinc/21/82/28/181218228.db2.gz	NZOUSQHDTDCGFE-VIFPVBQESA-N	-2	1	364.763	1.349	20	5		FDBDML
Cn1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000540294408	541042848	/nfs/dbraw/zinc/04/28/48/541042848.db2.gz	ZEFQHCMPTHAODW-UHFFFAOYSA-N	-2	1	354.344	1.011	20	5		FDBDML
CN(CC(=O)[O-])c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000501208073	538639387	/nfs/dbraw/zinc/63/93/87/538639387.db2.gz	JTDQDHUWPOFNHW-UHFFFAOYSA-N	-2	1	365.367	1.916	20	5		FDBDML
CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000290998362	567946329	/nfs/dbraw/zinc/94/63/29/567946329.db2.gz	SQJUFUMFWBSIMH-MRVPVSSYSA-N	-2	1	352.752	1.016	20	5		FDBDML
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000436707926	568417726	/nfs/dbraw/zinc/41/77/26/568417726.db2.gz	ZDGTYGOUQARUKW-UHFFFAOYSA-N	-2	1	357.282	1.611	20	5		FDBDML
O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000740498482	602455475	/nfs/dbraw/zinc/45/54/75/602455475.db2.gz	SJHYAJUUJVLCPG-SECBINFHSA-N	-2	1	361.351	1.402	20	5		FDBDML
CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)[O-]	ZINC000738791706	602788189	/nfs/dbraw/zinc/78/81/89/602788189.db2.gz	DULUGFRXQXXGMZ-SECBINFHSA-N	-2	1	365.795	1.819	20	5		FDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)nc2)c1-c1nnn[n-]1	ZINC000823646848	607004502	/nfs/dbraw/zinc/00/45/02/607004502.db2.gz	BGMDZUWJSXYJEB-UHFFFAOYSA-N	-2	1	365.306	1.110	20	5		FDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)nc2)c1-c1nn[n-]n1	ZINC000823646848	607004503	/nfs/dbraw/zinc/00/45/03/607004503.db2.gz	BGMDZUWJSXYJEB-UHFFFAOYSA-N	-2	1	365.306	1.110	20	5		FDBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000822212657	607025673	/nfs/dbraw/zinc/02/56/73/607025673.db2.gz	ATNYGCVTWDXCGB-UHFFFAOYSA-N	-2	1	367.372	1.341	20	5		FDBDML
CSCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000275133893	674607791	/nfs/dbraw/zinc/60/77/91/674607791.db2.gz	VUZVMVDIKNECMU-MRVPVSSYSA-N	-2	1	352.365	1.219	20	5		FDBDML
Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776496572	978694529	/nfs/dbraw/zinc/69/45/29/978694529.db2.gz	XYRMVSZEDJMRFK-LLVKDONJSA-N	-2	1	374.400	1.111	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000776539759	978993040	/nfs/dbraw/zinc/99/30/40/978993040.db2.gz	YBJBSPGGLUFZQS-NSHDSACASA-N	-2	1	360.344	1.900	20	5		FDBDML
COc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC001599573494	998403571	/nfs/dbraw/zinc/40/35/71/998403571.db2.gz	GXCZJHMRLCRPJQ-UHFFFAOYSA-N	-2	1	367.339	1.175	20	5		FDBDML
O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275191485	181257655	/nfs/dbraw/zinc/25/76/55/181257655.db2.gz	FOWWUXYDCIINBD-LURJTMIESA-N	-2	1	358.706	1.635	20	5		FDBDML
CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548264569	542604429	/nfs/dbraw/zinc/60/44/29/542604429.db2.gz	MIOSGCKXOQAESH-ZJUUUORDSA-N	-2	1	366.779	1.141	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])n1	ZINC000548269325	542606552	/nfs/dbraw/zinc/60/65/52/542606552.db2.gz	WCQRYMWVERIWSJ-SECBINFHSA-N	-2	1	362.408	1.369	20	5		FDBDML
Cc1cccc(C[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C(=O)[O-])c1	ZINC000738712167	600102995	/nfs/dbraw/zinc/10/29/95/600102995.db2.gz	YMRUDYFVNUPRLM-LBPRGKRZSA-N	-2	1	359.338	1.677	20	5		FDBDML
O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1	ZINC000833321030	600743895	/nfs/dbraw/zinc/74/38/95/600743895.db2.gz	FSGLOCBVEDGJPQ-UHFFFAOYSA-N	-2	1	367.339	1.045	20	5		FDBDML
O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000833188303	601992007	/nfs/dbraw/zinc/99/20/07/601992007.db2.gz	WMINMNVSAHAJSH-MNOVXSKESA-N	-2	1	357.388	1.692	20	5		FDBDML
O=C([O-])N[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1	ZINC000832140458	603142431	/nfs/dbraw/zinc/14/24/31/603142431.db2.gz	KUKNCJFWYQOIBI-LLVKDONJSA-N	-2	1	366.355	1.277	20	5		FDBDML
O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1	ZINC000832140459	603142545	/nfs/dbraw/zinc/14/25/45/603142545.db2.gz	KUKNCJFWYQOIBI-NSHDSACASA-N	-2	1	366.355	1.277	20	5		FDBDML
Cn1nccc1[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001574472248	961604054	/nfs/dbraw/zinc/60/40/54/961604054.db2.gz	KIEWAIMEHPSEEZ-NSHDSACASA-N	-2	1	374.762	1.086	20	5		FDBDML
O=C([O-])c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000776453542	978041065	/nfs/dbraw/zinc/04/10/65/978041065.db2.gz	NMFNFETYROTNQA-UHFFFAOYSA-N	-2	1	372.336	1.854	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1F	ZINC000776442470	978749061	/nfs/dbraw/zinc/74/90/61/978749061.db2.gz	FRILGMPQCRZNSW-NSHDSACASA-N	-2	1	360.344	1.900	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])s2)c([N+](=O)[O-])n1	ZINC000578984157	550822625	/nfs/dbraw/zinc/82/26/25/550822625.db2.gz	DBCCHTIEZGHISF-UHFFFAOYSA-N	-2	1	360.373	1.049	20	5		FDBDML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000432198115	600689897	/nfs/dbraw/zinc/68/98/97/600689897.db2.gz	JSBBVPXUNJCOOG-UHFFFAOYSA-N	-3	1	366.307	1.792	20	5		FDBDML
CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])[nH]n1	ZINC000827111918	601850616	/nfs/dbraw/zinc/85/06/16/601850616.db2.gz	ABXDFOANSBLWSS-UHFFFAOYSA-N	-2	1	354.344	1.940	20	5		FDBDML
O=C([O-])c1csc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000833306550	602116413	/nfs/dbraw/zinc/11/64/13/602116413.db2.gz	BMMYMYJOKHBLQB-UHFFFAOYSA-N	-2	1	372.336	1.854	20	5		FDBDML
O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000834078814	605427068	/nfs/dbraw/zinc/42/70/68/605427068.db2.gz	VQYKGNYRBGHUGY-QMMMGPOBSA-N	-2	1	363.779	1.526	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)ccc1[O-]	ZINC000371428679	677670386	/nfs/dbraw/zinc/67/03/86/677670386.db2.gz	BIKYQCLBNWFWLO-UHFFFAOYSA-N	-2	1	362.327	1.281	20	5		FDBDML
COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1	ZINC000492179555	687157827	/nfs/dbraw/zinc/15/78/27/687157827.db2.gz	CSQAOWGBPCIQHF-UHFFFAOYSA-N	-2	1	373.372	1.079	20	5		FDBDML
COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)n1	ZINC000766320511	926730776	/nfs/dbraw/zinc/73/07/76/926730776.db2.gz	IZFRKCIBWBDUCU-UHFFFAOYSA-N	-2	1	369.359	1.021	20	5		FDBDML
O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N-]S(=O)(=O)C(F)F	ZINC000817420637	942772441	/nfs/dbraw/zinc/77/24/41/942772441.db2.gz	ZRYKYVOINSWGIH-JTQLQIEISA-N	-2	1	363.298	1.214	20	5		FDBDML
CCCSC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000776482856	978598183	/nfs/dbraw/zinc/59/81/83/978598183.db2.gz	AVOJCLYVOONUAI-SECBINFHSA-N	-2	1	366.392	1.609	20	5		FDBDML
CC[C@@](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)(C(=O)[O-])c1ccccc1	ZINC001595160916	979688927	/nfs/dbraw/zinc/68/89/27/979688927.db2.gz	YDTGXRHVADFXHI-KRWDZBQOSA-N	-2	1	359.338	1.858	20	5		FDBDML
COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-]	ZINC001599150459	998287689	/nfs/dbraw/zinc/28/76/89/998287689.db2.gz	MRABBOBAIXOQLD-CYBMUJFWSA-N	-2	1	364.351	1.200	20	5		FDBDML
CCC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274932745	181199456	/nfs/dbraw/zinc/19/94/56/181199456.db2.gz	CUBQKEFEDHXZMV-VIFPVBQESA-N	-2	1	364.763	1.349	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(C)cc2)c([N+](=O)[O-])n1	ZINC000548206715	542585862	/nfs/dbraw/zinc/58/58/62/542585862.db2.gz	BSDAZPQZTRYGSX-LBPRGKRZSA-N	-2	1	368.371	1.224	20	5		FDBDML
CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000560419793	545003128	/nfs/dbraw/zinc/00/31/28/545003128.db2.gz	XBILLNNTKNBQJC-ZETCQYMHSA-N	-2	1	352.390	1.203	20	5		FDBDML
CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])o1	ZINC000579361367	550865440	/nfs/dbraw/zinc/86/54/40/550865440.db2.gz	XNVQOEGUFNINDV-UHFFFAOYSA-N	-2	1	369.355	1.630	20	5		FDBDML
Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1	ZINC000580436911	550982197	/nfs/dbraw/zinc/98/21/97/550982197.db2.gz	BNULJWIPQILVPF-ZETCQYMHSA-N	-2	1	370.343	1.332	20	5		FDBDML
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c([N+](=O)[O-])c1	ZINC000593310979	552087287	/nfs/dbraw/zinc/08/72/87/552087287.db2.gz	OQVOTLRGWACZFU-SNVBAGLBSA-N	-2	1	350.299	1.759	20	5		FDBDML
COc1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)cc1SC	ZINC000737905729	600184022	/nfs/dbraw/zinc/18/40/22/600184022.db2.gz	RDXMOFPULIFXCN-UHFFFAOYSA-N	-2	1	367.343	1.323	20	5		FDBDML
COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1	ZINC000738067973	600631695	/nfs/dbraw/zinc/63/16/95/600631695.db2.gz	CCKJBRRGPOOCHA-UHFFFAOYSA-N	-2	1	352.328	1.724	20	5		FDBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1	ZINC000833164943	600775329	/nfs/dbraw/zinc/77/53/29/600775329.db2.gz	ZLNNCMVQFXBMKL-LLVKDONJSA-N	-2	1	351.340	1.137	20	5		FDBDML
O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000740518024	602592591	/nfs/dbraw/zinc/59/25/91/602592591.db2.gz	CQTFFLMRSRFWNN-MRVPVSSYSA-N	-2	1	363.779	1.669	20	5		FDBDML
O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000832140264	603142483	/nfs/dbraw/zinc/14/24/83/603142483.db2.gz	IGMBNLZCURTQHA-SNVBAGLBSA-N	-2	1	371.396	1.944	20	5		FDBDML
O=C([O-])N[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000834149430	605806033	/nfs/dbraw/zinc/80/60/33/605806033.db2.gz	GEDSFODDNVWLJS-SECBINFHSA-N	-2	1	363.779	1.573	20	5		FDBDML
O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000389967310	678777803	/nfs/dbraw/zinc/77/78/03/678777803.db2.gz	GYZGUVPANAXBLN-LURJTMIESA-N	-2	1	358.706	1.635	20	5		FDBDML
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1F	ZINC000509646582	689294655	/nfs/dbraw/zinc/29/46/55/689294655.db2.gz	NLBOUWOKQRIYHG-UHFFFAOYSA-N	-2	1	370.314	1.998	20	5		FDBDML
O=C1COc2cc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2N1	ZINC000515697229	689886476	/nfs/dbraw/zinc/88/64/76/689886476.db2.gz	CHEFCKJDKASOAY-UHFFFAOYSA-N	-2	1	365.323	1.432	20	5		FDBDML
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21	ZINC001594903450	954653068	/nfs/dbraw/zinc/65/30/68/954653068.db2.gz	UYZVQHIQTNALOX-NWDGAFQWSA-N	-2	1	363.351	1.581	20	5		FDBDML
Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776496771	978692762	/nfs/dbraw/zinc/69/27/62/978692762.db2.gz	XYRMVSZEDJMRFK-NSHDSACASA-N	-2	1	374.400	1.111	20	5		FDBDML
CC(C)([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC001590880775	990798489	/nfs/dbraw/zinc/79/84/89/990798489.db2.gz	IBEKARTZSNRYQH-UHFFFAOYSA-N	-2	1	371.396	1.963	20	5		FDBDML
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1	ZINC000591257253	551854313	/nfs/dbraw/zinc/85/43/13/551854313.db2.gz	ZOGHMKBZUZSTLB-JTQLQIEISA-N	-2	1	350.299	1.759	20	5		FDBDML
COC1(C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])CCC1	ZINC000593275594	552080957	/nfs/dbraw/zinc/08/09/57/552080957.db2.gz	FHNNAJCFSGHSBN-QMMMGPOBSA-N	-2	1	364.401	1.347	20	5		FDBDML
O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1[N+](=O)[O-]	ZINC000593311237	552087527	/nfs/dbraw/zinc/08/75/27/552087527.db2.gz	UAOLKMIFELNSHJ-SECBINFHSA-N	-2	1	350.299	1.759	20	5		FDBDML
COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1	ZINC000609166297	554345661	/nfs/dbraw/zinc/34/56/61/554345661.db2.gz	RPEWKPRDGISXND-UHFFFAOYSA-N	-2	1	373.372	1.079	20	5		FDBDML
O=C([O-])c1cccc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1O	ZINC000614318118	555037407	/nfs/dbraw/zinc/03/74/07/555037407.db2.gz	KGMWZSPTITVCNT-UHFFFAOYSA-N	-2	1	352.324	1.941	20	5		FDBDML
CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000263568955	672882475	/nfs/dbraw/zinc/88/24/75/672882475.db2.gz	YWPIEXAYCUMRBZ-SNVBAGLBSA-N	-2	1	354.743	1.775	20	5		FDBDML
COc1cccc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1[N+](=O)[O-]	ZINC000444015813	682372642	/nfs/dbraw/zinc/37/26/42/682372642.db2.gz	AXAUSEJBKDBJOT-UHFFFAOYSA-N	-2	1	373.372	1.079	20	5		FDBDML
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c2ccccc21	ZINC001594903184	954652056	/nfs/dbraw/zinc/65/20/56/954652056.db2.gz	SRFKDDQCHSPSNK-RYUDHWBXSA-N	-2	1	363.351	1.581	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000776504271	978730966	/nfs/dbraw/zinc/73/09/66/978730966.db2.gz	RTBFIDHPVAJVEN-RDDDGLTNSA-N	-2	1	364.763	1.016	20	5		FDBDML
Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000530585261	540006014	/nfs/dbraw/zinc/00/60/14/540006014.db2.gz	NIFXFSAYWLEFPM-UHFFFAOYSA-N	-2	1	355.310	1.583	20	5		FDBDML
CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548264567	542604563	/nfs/dbraw/zinc/60/45/63/542604563.db2.gz	MIOSGCKXOQAESH-UWVGGRQHSA-N	-2	1	366.779	1.141	20	5		FDBDML
CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000068300232	523752833	/nfs/dbraw/zinc/75/28/33/523752833.db2.gz	YXVFJRPTFYORAV-UHFFFAOYSA-N	-2	1	365.367	1.851	20	5		FDBDML
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC000608852423	554324855	/nfs/dbraw/zinc/32/48/55/554324855.db2.gz	DDZXKNIOPPPCIF-UHFFFAOYSA-N	-2	1	355.303	1.339	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c([N+](=O)[O-])n1	ZINC000614314893	555037218	/nfs/dbraw/zinc/03/72/18/555037218.db2.gz	POIOTEOSLUUHQA-QMMMGPOBSA-N	-2	1	374.400	1.367	20	5		FDBDML
O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000740615452	603071778	/nfs/dbraw/zinc/07/17/78/603071778.db2.gz	ZNAFMDOJEPKLJQ-SECBINFHSA-N	-2	1	363.779	1.573	20	5		FDBDML
O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000834149431	605806326	/nfs/dbraw/zinc/80/63/26/605806326.db2.gz	GEDSFODDNVWLJS-VIFPVBQESA-N	-2	1	363.779	1.573	20	5		FDBDML
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000823630009	946458043	/nfs/dbraw/zinc/45/80/43/946458043.db2.gz	PKBHTCLKOBZOGU-UHFFFAOYSA-N	-2	1	371.335	1.171	20	5		FDBDML
C[C@](CC(=O)[O-])(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(F)c1	ZINC001592310719	977685182	/nfs/dbraw/zinc/68/51/82/977685182.db2.gz	HHOJOVIKHJUCLM-MRXNPFEDSA-N	-2	1	363.301	1.954	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000776504258	978730725	/nfs/dbraw/zinc/73/07/25/978730725.db2.gz	RTBFIDHPVAJVEN-CPCISQLKSA-N	-2	1	364.763	1.016	20	5		FDBDML
C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000547240387	542289000	/nfs/dbraw/zinc/28/90/00/542289000.db2.gz	POIPHYXTKJIQEN-HSZRJFAPSA-N	-2	1	370.408	1.980	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c([N+](=O)[O-])n1	ZINC000547880696	542474577	/nfs/dbraw/zinc/47/45/77/542474577.db2.gz	XNHXZIMLFWPTMO-SECBINFHSA-N	-2	1	362.408	1.227	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)ccc1[O-]	ZINC000363064333	259524893	/nfs/dbraw/zinc/52/48/93/259524893.db2.gz	YIOCIQWAEQBKDN-UHFFFAOYSA-N	-2	1	361.339	1.886	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)ccc1[O-]	ZINC000028020498	519213953	/nfs/dbraw/zinc/21/39/53/519213953.db2.gz	DIVBSNAGKQEGDA-UHFFFAOYSA-N	-2	1	361.339	1.682	20	5		FDBDML
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000036318592	519620284	/nfs/dbraw/zinc/62/02/84/519620284.db2.gz	CZNVXNULSPDFTD-UHFFFAOYSA-N	-2	1	352.324	1.888	20	5		FDBDML
Cc1sc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cc1[N+](=O)[O-]	ZINC000057269174	522049316	/nfs/dbraw/zinc/04/93/16/522049316.db2.gz	SCMUJCBAUPWRDP-UHFFFAOYSA-N	-2	1	363.402	1.440	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCCC(C)(C)C2)c([N+](=O)[O-])n1	ZINC000600665455	553295880	/nfs/dbraw/zinc/29/58/80/553295880.db2.gz	RRJQQMHLHYLDTA-AWEZNQCLSA-N	-2	1	374.419	1.513	20	5		FDBDML
CCCC[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000826815275	603921506	/nfs/dbraw/zinc/92/15/06/603921506.db2.gz	QDVXJODCUIMOLM-VIFPVBQESA-N	-2	1	363.367	1.839	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C)c2)c([N+](=O)[O-])n1	ZINC000520746669	690352498	/nfs/dbraw/zinc/35/24/98/690352498.db2.gz	OJFWLXJXXHZQIM-UHFFFAOYSA-N	-2	1	368.371	1.296	20	5		FDBDML
CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001594853125	982107902	/nfs/dbraw/zinc/10/79/02/982107902.db2.gz	ICDCCPRBXHUFDE-LLVKDONJSA-N	-2	1	354.743	1.919	20	5		FDBDML
CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001594853126	982107932	/nfs/dbraw/zinc/10/79/32/982107932.db2.gz	ICDCCPRBXHUFDE-NSHDSACASA-N	-2	1	354.743	1.919	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593347470	994956787	/nfs/dbraw/zinc/95/67/87/994956787.db2.gz	LVHZONKESNINQI-SSDOTTSWSA-N	-2	1	357.369	1.789	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2(C)CCCCC2)c([N+](=O)[O-])n1	ZINC000548684083	542752440	/nfs/dbraw/zinc/75/24/40/542752440.db2.gz	OYEHGTLZICDCSA-NSHDSACASA-N	-2	1	374.419	1.513	20	5		FDBDML
Cn1c2cc([O-])c(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2n(C)c1=O	ZINC000461613676	538533266	/nfs/dbraw/zinc/53/32/66/538533266.db2.gz	MREAMEPHSYYBKV-UHFFFAOYSA-N	-2	1	358.310	1.449	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)ccc1[O-]	ZINC000603674470	553809567	/nfs/dbraw/zinc/80/95/67/553809567.db2.gz	DZBYSQNKLSKGQL-UHFFFAOYSA-N	-2	1	362.327	1.077	20	5		FDBDML
O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000740498483	602455489	/nfs/dbraw/zinc/45/54/89/602455489.db2.gz	SJHYAJUUJVLCPG-VIFPVBQESA-N	-2	1	361.351	1.402	20	5		FDBDML
CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000738811838	602566925	/nfs/dbraw/zinc/56/69/25/602566925.db2.gz	OGAYRAVSAFWKLJ-MRVPVSSYSA-N	-2	1	351.406	1.617	20	5		FDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2O)c1-c1nnn[n-]1	ZINC000823647684	607154517	/nfs/dbraw/zinc/15/45/17/607154517.db2.gz	OCTTZTIHSBPZSX-UHFFFAOYSA-N	-2	1	362.327	1.281	20	5		FDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2O)c1-c1nn[n-]n1	ZINC000823647684	607154519	/nfs/dbraw/zinc/15/45/19/607154519.db2.gz	OCTTZTIHSBPZSX-UHFFFAOYSA-N	-2	1	362.327	1.281	20	5		FDBDML
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21	ZINC001594903451	954653012	/nfs/dbraw/zinc/65/30/12/954653012.db2.gz	UYZVQHIQTNALOX-RYUDHWBXSA-N	-2	1	363.351	1.581	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ncc(C(=O)[O-])s1	ZINC001593339897	994937604	/nfs/dbraw/zinc/93/76/04/994937604.db2.gz	WOMCERQNVKXQAV-YFKPBYRVSA-N	-2	1	363.398	1.851	20	5		FDBDML
COc1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001599573855	998408538	/nfs/dbraw/zinc/40/85/38/998408538.db2.gz	PCPQESISVZZEGM-UHFFFAOYSA-N	-2	1	373.368	1.237	20	5		FDBDML
Cc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000536281512	540575151	/nfs/dbraw/zinc/57/51/51/540575151.db2.gz	QMPUAFMLFTUBPG-UHFFFAOYSA-N	-2	1	369.337	1.625	20	5		FDBDML
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)F	ZINC000561385981	545829264	/nfs/dbraw/zinc/82/92/64/545829264.db2.gz	WIFVVNRFZPTZQF-LURJTMIESA-N	-2	1	356.278	1.368	20	5		FDBDML
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)F	ZINC000570884695	549447462	/nfs/dbraw/zinc/44/74/62/549447462.db2.gz	NKFAJXGVQBFETG-LURJTMIESA-N	-2	1	372.733	1.883	20	5		FDBDML
CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-])C1CC1	ZINC000594572760	552334951	/nfs/dbraw/zinc/33/49/51/552334951.db2.gz	CMIULCQLUQLSGG-BDAKNGLRSA-N	-2	1	364.401	1.203	20	5		FDBDML
Cn1c(=O)oc2cc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc21	ZINC000609108186	554337860	/nfs/dbraw/zinc/33/78/60/554337860.db2.gz	QOMOPENSLBFJEP-UHFFFAOYSA-N	-2	1	365.323	1.546	20	5		FDBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(O)cccc2F)c1	ZINC000610574676	554532923	/nfs/dbraw/zinc/53/29/23/554532923.db2.gz	ZXPPBHLDZHKKEH-UHFFFAOYSA-N	-2	1	356.287	1.939	20	5		FDBDML
CC(C)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)on1	ZINC000612858949	554851817	/nfs/dbraw/zinc/85/18/17/554851817.db2.gz	CXXMAAMGFWRFII-UHFFFAOYSA-N	-2	1	369.355	1.883	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000737697612	597302996	/nfs/dbraw/zinc/30/29/96/597302996.db2.gz	XNHYRAODASAQEM-YFKPBYRVSA-N	-2	1	353.150	1.109	20	5		FDBDML
O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1	ZINC000833286933	600755370	/nfs/dbraw/zinc/75/53/70/600755370.db2.gz	YRNXSGKRSHGJLP-UHFFFAOYSA-N	-2	1	366.355	1.601	20	5		FDBDML
CC(C)N(CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000738847351	602389054	/nfs/dbraw/zinc/38/90/54/602389054.db2.gz	DQBVMRKXLJGHEI-UHFFFAOYSA-N	-2	1	363.367	1.791	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1	ZINC000825501412	603111511	/nfs/dbraw/zinc/11/15/11/603111511.db2.gz	DGHROWJBNSYUFP-NXEZZACHSA-N	-2	1	358.376	1.047	20	5		FDBDML
C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000833531996	605637310	/nfs/dbraw/zinc/63/73/10/605637310.db2.gz	MSIMWCOYZODRSX-VIFPVBQESA-N	-2	1	366.326	1.169	20	5		FDBDML
O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000574080009	694912590	/nfs/dbraw/zinc/91/25/90/694912590.db2.gz	OMQCFKFBVUKTEU-SSDOTTSWSA-N	-2	1	360.241	1.315	20	5		FDBDML
Cc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000469588920	819453267	/nfs/dbraw/zinc/45/32/67/819453267.db2.gz	NYGLWKCRXMGTFD-UHFFFAOYSA-N	-2	1	369.337	1.625	20	5		FDBDML
COc1cnc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[n-]c1=O	ZINC001180053918	965091120	/nfs/dbraw/zinc/09/11/20/965091120.db2.gz	JMVNQPUIAIOQFK-NSHDSACASA-N	-2	1	360.326	1.782	20	5		FDBDML
Cc1nc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1C(=O)[O-]	ZINC000776632583	967701687	/nfs/dbraw/zinc/70/16/87/967701687.db2.gz	SMSHENQKPZXFJE-UHFFFAOYSA-N	-2	1	357.369	1.536	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1	ZINC001593346234	994949338	/nfs/dbraw/zinc/94/93/38/994949338.db2.gz	XCIRNKCGYQVYHO-SSDOTTSWSA-N	-2	1	357.369	1.789	20	5		FDBDML
CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000530435003	539972600	/nfs/dbraw/zinc/97/26/00/539972600.db2.gz	ALSJXFDDFPWHOC-SSDOTTSWSA-N	-2	1	352.752	1.016	20	5		FDBDML
Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1	ZINC000593312909	552088062	/nfs/dbraw/zinc/08/80/62/552088062.db2.gz	NZGVRIDAJDLBOV-LURJTMIESA-N	-2	1	356.316	1.024	20	5		FDBDML
O=C([O-])NC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000832520920	603135498	/nfs/dbraw/zinc/13/54/98/603135498.db2.gz	HYDHHTSCAFBVSY-VHSXEESVSA-N	-2	1	358.376	1.095	20	5		FDBDML
CCCC[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000826815274	603921984	/nfs/dbraw/zinc/92/19/84/603921984.db2.gz	QDVXJODCUIMOLM-SECBINFHSA-N	-2	1	363.367	1.839	20	5		FDBDML
C[C@@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC001592210701	977256073	/nfs/dbraw/zinc/25/60/73/977256073.db2.gz	FXEMBDBUFHJEAG-GFNSNHMOSA-N	-2	1	352.727	1.695	20	5		FDBDML
C[C@@](CO)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC001592756003	979335404	/nfs/dbraw/zinc/33/54/04/979335404.db2.gz	RMSUPOIHQNXAHC-JTQLQIEISA-N	-2	1	373.170	1.016	20	5		FDBDML
CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC001595169605	979729601	/nfs/dbraw/zinc/72/96/01/979729601.db2.gz	AUFWLDBLXRXWAL-ZCFIWIBFSA-N	-2	1	354.743	1.776	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c([N+](=O)[O-])n1	ZINC000547880697	542474675	/nfs/dbraw/zinc/47/46/75/542474675.db2.gz	XNHXZIMLFWPTMO-VIFPVBQESA-N	-2	1	362.408	1.227	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548260996	542604030	/nfs/dbraw/zinc/60/40/30/542604030.db2.gz	ZTEJXRMQYNFPCI-NXEZZACHSA-N	-2	1	362.408	1.369	20	5		FDBDML
CO[C@H](C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-])C1CC1	ZINC000594572863	552334969	/nfs/dbraw/zinc/33/49/69/552334969.db2.gz	CMIULCQLUQLSGG-RKDXNWHRSA-N	-2	1	364.401	1.203	20	5		FDBDML
CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000270541369	597146081	/nfs/dbraw/zinc/14/60/81/597146081.db2.gz	XMDKECHYTRDLFB-SSDOTTSWSA-N	-2	1	367.177	1.499	20	5		FDBDML
Nc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000739203613	600626322	/nfs/dbraw/zinc/62/63/22/600626322.db2.gz	QRGSXDMCOSXKSC-UHFFFAOYSA-N	-2	1	351.340	1.605	20	5		FDBDML
O=C([O-])c1sccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000833306355	602111928	/nfs/dbraw/zinc/11/19/28/602111928.db2.gz	WQADARDOMCLPMP-UHFFFAOYSA-N	-2	1	372.336	1.854	20	5		FDBDML
O=C([O-])NC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1	ZINC000832433107	603118428	/nfs/dbraw/zinc/11/84/28/603118428.db2.gz	GYENMHZOGFSCIS-NSHDSACASA-N	-2	1	372.403	1.485	20	5		FDBDML
CC(C)C[C@](C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000824175870	603118475	/nfs/dbraw/zinc/11/84/75/603118475.db2.gz	GDOBTXIUBCHNKV-CYBMUJFWSA-N	-2	1	360.392	1.341	20	5		FDBDML
O=C([O-])N1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)CC1	ZINC000834091456	605938780	/nfs/dbraw/zinc/93/87/80/605938780.db2.gz	RGDCJPUNSHFPDO-UHFFFAOYSA-N	-2	1	350.331	1.302	20	5		FDBDML
O=C([O-])/C=C\C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000788447791	932701532	/nfs/dbraw/zinc/70/15/32/932701532.db2.gz	QMEHVMQESFOQNQ-UPHRSURJSA-N	-2	1	365.161	1.276	20	5		FDBDML
COc1cccc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])c1	ZINC001320567801	960980796	/nfs/dbraw/zinc/98/07/96/960980796.db2.gz	KCRXGQJDIDESDJ-LBPRGKRZSA-N	-2	1	372.380	1.769	20	5		FDBDML
O=C([O-])c1c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-]	ZINC000547901318	542482371	/nfs/dbraw/zinc/48/23/71/542482371.db2.gz	USUGJOBQYNPFKW-UHFFFAOYSA-N	-2	1	366.307	1.823	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC(C)(C)C2)c([N+](=O)[O-])n1	ZINC000551997374	543401709	/nfs/dbraw/zinc/40/17/09/543401709.db2.gz	BFGTZPCAWYAXEZ-ZDUSSCGKSA-N	-2	1	360.392	1.123	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@H](C)C2)c([N+](=O)[O-])n1	ZINC000558590436	544476473	/nfs/dbraw/zinc/47/64/73/544476473.db2.gz	KDKSVJYGIUJJLJ-TVQRCGJNSA-N	-2	1	360.392	1.123	20	5		FDBDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000432185202	538126119	/nfs/dbraw/zinc/12/61/19/538126119.db2.gz	JNTDMYKQUPWBSW-UHFFFAOYSA-N	-3	1	366.307	1.792	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c([N+](=O)[O-])n1	ZINC000594848706	552408084	/nfs/dbraw/zinc/40/80/84/552408084.db2.gz	RVNHLUJXQBCKMD-KOLCDFICSA-N	-2	1	374.419	1.369	20	5		FDBDML
O=C([O-])[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1ccc(O)cc1	ZINC000739396124	600179602	/nfs/dbraw/zinc/17/96/02/600179602.db2.gz	CUAZBBOMJDHHOT-SNVBAGLBSA-N	-2	1	361.310	1.074	20	5		FDBDML
CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000290706165	676225217	/nfs/dbraw/zinc/22/52/17/676225217.db2.gz	SQJUFUMFWBSIMH-QMMMGPOBSA-N	-2	1	352.752	1.016	20	5		FDBDML
O=C([O-])c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(O)c1	ZINC000324171360	676568027	/nfs/dbraw/zinc/56/80/27/676568027.db2.gz	FVJJUTXGPZOYEC-UHFFFAOYSA-N	-2	1	354.296	1.505	20	5		FDBDML
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)s1	ZINC000823643874	946460489	/nfs/dbraw/zinc/46/04/89/946460489.db2.gz	DPIVWCBFVACYAX-UHFFFAOYSA-N	-2	1	359.374	1.094	20	5		FDBDML
O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837294713	979273515	/nfs/dbraw/zinc/27/35/15/979273515.db2.gz	WZMSBLKCRGFQLK-VIFPVBQESA-N	-2	1	366.754	1.919	20	5		FDBDML
C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1	ZINC001589469471	986942711	/nfs/dbraw/zinc/94/27/11/986942711.db2.gz	SSQIDTGDOSYUHJ-ZWNOBZJWSA-N	-2	1	365.367	1.730	20	5		FDBDML
O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1	ZINC000374445625	261133699	/nfs/dbraw/zinc/13/36/99/261133699.db2.gz	BBMKPTYRKZGRFB-UHFFFAOYSA-N	-2	1	364.763	1.160	20	5		FDBDML
Cc1cc(N2CCN(c3nc(=N)[n-]s3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000563204354	546444506	/nfs/dbraw/zinc/44/45/06/546444506.db2.gz	BXJAPWYBSWMQFA-UHFFFAOYSA-N	-2	1	364.387	1.362	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)ccc1[O-]	ZINC000608909006	554328584	/nfs/dbraw/zinc/32/85/84/554328584.db2.gz	KBEVFRSYRPVMIJ-UHFFFAOYSA-N	-2	1	361.339	1.682	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1F	ZINC000776449804	601811084	/nfs/dbraw/zinc/81/10/84/601811084.db2.gz	AYIQXUBUKASYID-GFCCVEGCSA-N	-2	1	372.305	1.977	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000739040046	601991018	/nfs/dbraw/zinc/99/10/18/601991018.db2.gz	QBUWYQUCYJSLFS-BDAKNGLRSA-N	-2	1	363.417	1.713	20	5		FDBDML
C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC000846770649	955728937	/nfs/dbraw/zinc/72/89/37/955728937.db2.gz	VSPINFCULVTFAC-YFKPBYRVSA-N	-2	1	357.171	1.901	20	5		FDBDML
O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000776602552	967423777	/nfs/dbraw/zinc/42/37/77/967423777.db2.gz	SCPZQQHISQQNHW-SECBINFHSA-N	-2	1	364.401	1.205	20	5		FDBDML
O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000853068620	967800434	/nfs/dbraw/zinc/80/04/34/967800434.db2.gz	CGHQVLZUSRMCPT-SSDOTTSWSA-N	-2	1	364.738	1.839	20	5		FDBDML
CC[C@@](COC)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001595200411	979949689	/nfs/dbraw/zinc/94/96/89/979949689.db2.gz	ZTLDGSODGMDJEF-LBPRGKRZSA-N	-2	1	366.779	1.406	20	5		FDBDML
CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1[O-]	ZINC000539971732	541014563	/nfs/dbraw/zinc/01/45/63/541014563.db2.gz	KVFIOVQXRAOXJQ-UHFFFAOYSA-N	-2	1	371.396	1.865	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)ccc1[O-]	ZINC000071092151	522099148	/nfs/dbraw/zinc/09/91/48/522099148.db2.gz	RTKHIZNKEVKSHT-UHFFFAOYSA-N	-2	1	361.339	1.682	20	5		FDBDML
O=C([O-])c1cccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1[N+](=O)[O-]	ZINC000593311238	552087444	/nfs/dbraw/zinc/08/74/44/552087444.db2.gz	UAOLKMIFELNSHJ-VIFPVBQESA-N	-2	1	350.299	1.759	20	5		FDBDML
Cc1cccc([C@@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)[O-])c1C	ZINC000600653862	553291970	/nfs/dbraw/zinc/29/19/70/553291970.db2.gz	PGTMZHKFHWFWJZ-GFCCVEGCSA-N	-2	1	368.371	1.049	20	5		FDBDML
COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436665716	568260454	/nfs/dbraw/zinc/26/04/54/568260454.db2.gz	ORKKYRGONWWBTG-UHFFFAOYSA-N	-3	1	368.323	1.593	20	5		FDBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000432198779	600689876	/nfs/dbraw/zinc/68/98/76/600689876.db2.gz	QILWRFYMVYAPGV-UHFFFAOYSA-N	-3	1	366.307	1.792	20	5		FDBDML
O=C([O-])Cc1nc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000833269649	600888271	/nfs/dbraw/zinc/88/82/71/600888271.db2.gz	FQFKOGVDDFNHPQ-UHFFFAOYSA-N	-2	1	359.220	1.611	20	5		FDBDML
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000831585762	601267028	/nfs/dbraw/zinc/26/70/28/601267028.db2.gz	PICFLXYBSKFWRK-LBPRGKRZSA-N	-2	1	366.779	1.406	20	5		FDBDML
CCN(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000739420307	601981624	/nfs/dbraw/zinc/98/16/24/601981624.db2.gz	AEOCFWNUZLDLPA-UHFFFAOYSA-N	-2	1	365.795	1.917	20	5		FDBDML
O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000285007421	675780868	/nfs/dbraw/zinc/78/08/68/675780868.db2.gz	HHBVFZRTQFZSKU-QMMMGPOBSA-N	-2	1	370.305	1.916	20	5		FDBDML
Cn1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cc([N+](=O)[O-])c1=O	ZINC001167936290	811023905	/nfs/dbraw/zinc/02/39/05/811023905.db2.gz	YLAACKLNNBBSET-UHFFFAOYSA-N	-2	1	365.282	1.378	20	5		FDBDML
CC(C)(C)C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000821248438	944396287	/nfs/dbraw/zinc/39/62/87/944396287.db2.gz	LGRGSVGRMYWNJB-GMSGAONNSA-N	-2	1	366.417	1.185	20	5		FDBDML
O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1	ZINC000853024706	969305069	/nfs/dbraw/zinc/30/50/69/969305069.db2.gz	MZPJVFJUOAVUNV-UHFFFAOYSA-N	-2	1	366.754	1.921	20	5		FDBDML
C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1CCC(=O)[O-]	ZINC001594490080	985597713	/nfs/dbraw/zinc/59/77/13/985597713.db2.gz	VCNAMCCYNAAQAS-SECBINFHSA-N	-2	1	371.777	1.575	20	5		FDBDML
Cc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000468388795	993535477	/nfs/dbraw/zinc/53/54/77/993535477.db2.gz	CMRXCOIKZFQRPX-UHFFFAOYSA-N	-2	1	355.310	1.583	20	5		FDBDML
CCC1CCC([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])(C(=O)[O-])CC1	ZINC000563073802	546387664	/nfs/dbraw/zinc/38/76/64/546387664.db2.gz	NXANKUNHFNTWLT-UHFFFAOYSA-N	-2	1	374.419	1.513	20	5		FDBDML
CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000609394411	554373942	/nfs/dbraw/zinc/37/39/42/554373942.db2.gz	TWRJKHUTZVZVJP-UHFFFAOYSA-N	-2	1	372.380	1.505	20	5		FDBDML
Cc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000822362456	607154483	/nfs/dbraw/zinc/15/44/83/607154483.db2.gz	UGSBLCJCRUFKKR-UHFFFAOYSA-N	-2	1	360.355	1.884	20	5		FDBDML
O=C([O-])[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21	ZINC001594903452	954652869	/nfs/dbraw/zinc/65/28/69/954652869.db2.gz	UYZVQHIQTNALOX-VXGBXAGGSA-N	-2	1	363.351	1.581	20	5		FDBDML
O=C([O-])CCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837286989	955562804	/nfs/dbraw/zinc/56/28/04/955562804.db2.gz	RGFAUIDINSNPCD-UHFFFAOYSA-N	-2	1	354.743	1.921	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1ccccc1	ZINC000776594389	967279073	/nfs/dbraw/zinc/27/90/73/967279073.db2.gz	BETPMCAFPYNWOM-NEPJUHHUSA-N	-2	1	372.380	1.121	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]CCc2ccccc2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000575060841	550418575	/nfs/dbraw/zinc/41/85/75/550418575.db2.gz	WVFMMPNMZQALNF-UHFFFAOYSA-N	-2	1	368.371	1.030	20	5		FDBDML
Cc1sc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000580021240	550934172	/nfs/dbraw/zinc/93/41/72/550934172.db2.gz	VVRYJOIODMMLFW-YFKPBYRVSA-N	-2	1	362.307	1.649	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([N+](=O)[O-])n1	ZINC000593945608	552231755	/nfs/dbraw/zinc/23/17/55/552231755.db2.gz	UDWULGHAGUTAPP-LPEHRKFASA-N	-2	1	374.419	1.225	20	5		FDBDML
Cc1cc(C)cc([C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000600654822	553292163	/nfs/dbraw/zinc/29/21/63/553292163.db2.gz	GRQYFMQKLUVSLO-LBPRGKRZSA-N	-2	1	368.371	1.049	20	5		FDBDML
CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)[O-]	ZINC000738791707	602787944	/nfs/dbraw/zinc/78/79/44/602787944.db2.gz	DULUGFRXQXXGMZ-VIFPVBQESA-N	-2	1	365.795	1.819	20	5		FDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1	ZINC000833747309	605165466	/nfs/dbraw/zinc/16/54/66/605165466.db2.gz	VSXZQSBLMOCQRG-UHFFFAOYSA-N	-3	1	353.312	1.503	20	5		FDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccsc2)c1-c1nnn[n-]1	ZINC000823648156	607156281	/nfs/dbraw/zinc/15/62/81/607156281.db2.gz	SNNJEFGXHLSZTH-UHFFFAOYSA-N	-2	1	352.357	1.637	20	5		FDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccsc2)c1-c1nn[n-]n1	ZINC000823648156	607156283	/nfs/dbraw/zinc/15/62/83/607156283.db2.gz	SNNJEFGXHLSZTH-UHFFFAOYSA-N	-2	1	352.357	1.637	20	5		FDBDML
Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000766321556	926757375	/nfs/dbraw/zinc/75/73/75/926757375.db2.gz	QVTJQAANIQWNLJ-UHFFFAOYSA-N	-2	1	365.367	1.817	20	5		FDBDML
Cc1cccc([C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC001594399280	958826399	/nfs/dbraw/zinc/82/63/99/958826399.db2.gz	DCCULQZDRKLVIV-LBPRGKRZSA-N	-2	1	351.340	1.402	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1	ZINC000776471306	978355250	/nfs/dbraw/zinc/35/52/50/978355250.db2.gz	CZYWFBMDOOWCMI-GFCCVEGCSA-N	-2	1	372.305	1.977	20	5		FDBDML
C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1	ZINC001589469467	986941522	/nfs/dbraw/zinc/94/15/22/986941522.db2.gz	SSQIDTGDOSYUHJ-GXFFZTMASA-N	-2	1	365.367	1.730	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548224077	542591343	/nfs/dbraw/zinc/59/13/43/542591343.db2.gz	XMWVYAQQCAIZJN-ZWNOBZJWSA-N	-2	1	360.392	1.123	20	5		FDBDML
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1	ZINC000461466174	538521421	/nfs/dbraw/zinc/52/14/21/538521421.db2.gz	RSEMLBUGYFCJHT-UHFFFAOYSA-N	-2	1	367.339	1.166	20	5		FDBDML
O=C([O-])c1cccc(S(=O)(=O)[N-]CCOC(F)(F)F)c1[N+](=O)[O-]	ZINC000568753939	548667215	/nfs/dbraw/zinc/66/72/15/548667215.db2.gz	HACCZBKWXFHORU-UHFFFAOYSA-N	-2	1	358.250	1.108	20	5		FDBDML
Cc1cc(C)cc([C@@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000600654821	553292187	/nfs/dbraw/zinc/29/21/87/553292187.db2.gz	GRQYFMQKLUVSLO-GFCCVEGCSA-N	-2	1	368.371	1.049	20	5		FDBDML
Cc1c([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600659386	553293825	/nfs/dbraw/zinc/29/38/25/553293825.db2.gz	OREMQURUWFBEAA-NSHDSACASA-N	-2	1	358.372	1.912	20	5		FDBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1	ZINC000614351966	555041581	/nfs/dbraw/zinc/04/15/81/555041581.db2.gz	SRKUKIODBCDCQN-LLVKDONJSA-N	-2	1	370.408	1.878	20	5		FDBDML
O=C([O-])N1CCC(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000740495964	601987255	/nfs/dbraw/zinc/98/72/55/601987255.db2.gz	GKXURVFMAUJTIW-UHFFFAOYSA-N	-2	1	361.351	1.402	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000737697610	602174245	/nfs/dbraw/zinc/17/42/45/602174245.db2.gz	XNHYRAODASAQEM-RXMQYKEDSA-N	-2	1	353.150	1.109	20	5		FDBDML
O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1	ZINC000832433099	603118580	/nfs/dbraw/zinc/11/85/80/603118580.db2.gz	GYENMHZOGFSCIS-LLVKDONJSA-N	-2	1	372.403	1.485	20	5		FDBDML
CC(C)C[C@@](C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000824175872	603118586	/nfs/dbraw/zinc/11/85/86/603118586.db2.gz	GDOBTXIUBCHNKV-ZDUSSCGKSA-N	-2	1	360.392	1.341	20	5		FDBDML
O=C([O-])c1cccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1	ZINC000833111937	604265810	/nfs/dbraw/zinc/26/58/10/604265810.db2.gz	PKUHCTPDSQTGTP-UHFFFAOYSA-N	-2	1	360.278	1.794	20	5		FDBDML
O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000285007412	675780814	/nfs/dbraw/zinc/78/08/14/675780814.db2.gz	HHBVFZRTQFZSKU-MRVPVSSYSA-N	-2	1	370.305	1.916	20	5		FDBDML
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(F)(F)F)c1	ZINC000414351914	679341580	/nfs/dbraw/zinc/34/15/80/679341580.db2.gz	WFDDAEYRINMNQA-UHFFFAOYSA-N	-2	1	356.278	1.914	20	5		FDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O	ZINC000499166981	687915619	/nfs/dbraw/zinc/91/56/19/687915619.db2.gz	JJJFGBBHVNJGAV-UHFFFAOYSA-N	-3	1	368.323	1.813	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548260999	542603693	/nfs/dbraw/zinc/60/36/93/542603693.db2.gz	ZTEJXRMQYNFPCI-ZJUUUORDSA-N	-2	1	362.408	1.369	20	5		FDBDML
CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000045165555	522051381	/nfs/dbraw/zinc/05/13/81/522051381.db2.gz	BPSURPXNQNYCGJ-UHFFFAOYSA-N	-2	1	365.367	1.851	20	5		FDBDML
Cn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000432188932	538128014	/nfs/dbraw/zinc/12/80/14/538128014.db2.gz	ZDGMBXIBBMJVQD-UHFFFAOYSA-N	-2	1	369.311	1.131	20	5		FDBDML
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1N	ZINC000439254589	538162503	/nfs/dbraw/zinc/16/25/03/538162503.db2.gz	VMULINJJVDYJEK-UHFFFAOYSA-N	-2	1	367.339	1.470	20	5		FDBDML
CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-])C1CC1	ZINC000594572862	552334955	/nfs/dbraw/zinc/33/49/55/552334955.db2.gz	CMIULCQLUQLSGG-IUCAKERBSA-N	-2	1	364.401	1.203	20	5		FDBDML
CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-])C1CC1	ZINC000594572861	552335109	/nfs/dbraw/zinc/33/51/09/552335109.db2.gz	CMIULCQLUQLSGG-DTWKUNHWSA-N	-2	1	364.401	1.203	20	5		FDBDML
C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1	ZINC000600654617	553292224	/nfs/dbraw/zinc/29/22/24/553292224.db2.gz	BJZNSEBEDKAJNY-JOYOIKCWSA-N	-2	1	368.371	1.069	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000600660878	553294492	/nfs/dbraw/zinc/29/44/92/553294492.db2.gz	XLFZKIFUFKHDBB-VHSXEESVSA-N	-2	1	360.392	1.123	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1F	ZINC000614337014	555039701	/nfs/dbraw/zinc/03/97/01/555039701.db2.gz	CXKKHANWIDXHIQ-ZDUSSCGKSA-N	-2	1	372.305	1.977	20	5		FDBDML
O=C([O-])CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000036238931	600626774	/nfs/dbraw/zinc/62/67/74/600626774.db2.gz	GOXYXBSSAJRUSM-UHFFFAOYSA-N	-2	1	367.299	1.624	20	5		FDBDML
CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000738813660	602567284	/nfs/dbraw/zinc/56/72/84/602567284.db2.gz	ZTZGVDFZULFHFF-SECBINFHSA-N	-2	1	363.367	1.695	20	5		FDBDML
O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000832490171	603134321	/nfs/dbraw/zinc/13/43/21/603134321.db2.gz	KDTYFPBNFDTWCM-PSASIEDQSA-N	-2	1	361.351	1.449	20	5		FDBDML
CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NC(=O)[O-]	ZINC000826561415	603476883	/nfs/dbraw/zinc/47/68/83/603476883.db2.gz	YQCQFBBDPJPEGU-UHFFFAOYSA-N	-2	1	351.406	1.761	20	5		FDBDML
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1[N-]c1ccn(Cc2ccccn2)n1	ZINC000823630515	606707472	/nfs/dbraw/zinc/70/74/72/606707472.db2.gz	ZFSNANXKKKKVMF-UHFFFAOYSA-N	-2	1	364.329	1.553	20	5		FDBDML
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000327306426	676591193	/nfs/dbraw/zinc/59/11/93/676591193.db2.gz	MUOIREYAKIRZDI-UHFFFAOYSA-N	-2	1	368.323	1.808	20	5		FDBDML
O=C1CCN1c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000790350000	933477573	/nfs/dbraw/zinc/47/75/73/933477573.db2.gz	BPJFEFYNRKXGEW-UHFFFAOYSA-N	-2	1	363.351	1.838	20	5		FDBDML
Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001174505730	962886580	/nfs/dbraw/zinc/88/65/80/962886580.db2.gz	KNJGGOYASPMZGU-UHFFFAOYSA-N	-2	1	355.303	1.815	20	5		FDBDML
CCc1nc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1C(=O)[O-]	ZINC000776637496	967783986	/nfs/dbraw/zinc/78/39/86/967783986.db2.gz	XOHXXRMHMODWHJ-UHFFFAOYSA-N	-2	1	371.396	1.790	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC001605909998	972769913	/nfs/dbraw/zinc/76/99/13/972769913.db2.gz	MKJCZSAXWWUQMS-LLVKDONJSA-N	-2	1	355.303	1.233	20	5		FDBDML
Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000832924212	979056453	/nfs/dbraw/zinc/05/64/53/979056453.db2.gz	ZCTPWDVCHKSENB-LBPRGKRZSA-N	-2	1	365.367	1.445	20	5		FDBDML
CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC001596911906	985914979	/nfs/dbraw/zinc/91/49/79/985914979.db2.gz	NNXGGSOCIVPAHU-JTQLQIEISA-N	-2	1	355.347	1.285	20	5		FDBDML
CC1(C)CCC[C@]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])(C(=O)[O-])C1	ZINC001593898715	996761934	/nfs/dbraw/zinc/76/19/34/996761934.db2.gz	FMXSCVJKDYLJSZ-CQSZACIVSA-N	-2	1	357.388	1.692	20	5		FDBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)ccc1[N+](=O)[O-]	ZINC000534973446	540433125	/nfs/dbraw/zinc/43/31/25/540433125.db2.gz	JBXFKVNJSITVCB-UHFFFAOYSA-N	-2	1	370.314	1.725	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@H](C)C2)c([N+](=O)[O-])n1	ZINC000558590437	544476173	/nfs/dbraw/zinc/47/61/73/544476173.db2.gz	KDKSVJYGIUJJLJ-ZANVPECISA-N	-2	1	360.392	1.123	20	5		FDBDML
Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc12	ZINC000024376386	518988473	/nfs/dbraw/zinc/98/84/73/518988473.db2.gz	ALEGYHLPGPHRLN-UHFFFAOYSA-N	-2	1	363.355	1.691	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000567808885	548267386	/nfs/dbraw/zinc/26/73/86/548267386.db2.gz	BROWLNSWMHNTFE-ZANVPECISA-N	-2	1	360.392	1.123	20	5		FDBDML
O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000579106612	550836406	/nfs/dbraw/zinc/83/64/06/550836406.db2.gz	ZYPRULBXUNBKJJ-ZCFIWIBFSA-N	-2	1	360.241	1.315	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739040061	601990981	/nfs/dbraw/zinc/99/09/81/601990981.db2.gz	QBUWYQUCYJSLFS-RKDXNWHRSA-N	-2	1	363.417	1.713	20	5		FDBDML
O=C([O-])c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000471121171	602111588	/nfs/dbraw/zinc/11/15/88/602111588.db2.gz	PAZFSMSTPAAWTM-UHFFFAOYSA-N	-2	1	366.307	1.792	20	5		FDBDML
O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000574080014	694912618	/nfs/dbraw/zinc/91/26/18/694912618.db2.gz	OMQCFKFBVUKTEU-ZETCQYMHSA-N	-2	1	360.241	1.315	20	5		FDBDML
O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000917870919	883884287	/nfs/dbraw/zinc/88/42/87/883884287.db2.gz	KRRAUPCUXRZOCF-UHFFFAOYSA-N	-2	1	365.161	1.253	20	5		FDBDML
O=C1OCc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21	ZINC000808125571	940517098	/nfs/dbraw/zinc/51/70/98/940517098.db2.gz	FMBLTCHKWCSJAZ-UHFFFAOYSA-N	-2	1	350.308	1.772	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC2CCCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547889443	542478598	/nfs/dbraw/zinc/47/85/98/542478598.db2.gz	QJWIFQQYEONGDJ-JTQLQIEISA-N	-2	1	360.392	1.123	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000567808883	548267673	/nfs/dbraw/zinc/26/76/73/548267673.db2.gz	BROWLNSWMHNTFE-RNCFNFMXSA-N	-2	1	360.392	1.123	20	5		FDBDML
C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1	ZINC000600654618	553292166	/nfs/dbraw/zinc/29/21/66/553292166.db2.gz	BJZNSEBEDKAJNY-SKDRFNHKSA-N	-2	1	368.371	1.069	20	5		FDBDML
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000436622609	568059922	/nfs/dbraw/zinc/05/99/22/568059922.db2.gz	ZVKVRAWIELFING-UHFFFAOYSA-N	-2	1	367.339	1.166	20	5		FDBDML
CN(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1C(=O)[O-]	ZINC000833685164	605637411	/nfs/dbraw/zinc/63/74/11/605637411.db2.gz	BTVJRGDCTKXOQT-UHFFFAOYSA-N	-2	1	374.305	1.818	20	5		FDBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000822129228	607025992	/nfs/dbraw/zinc/02/59/92/607025992.db2.gz	JKGLRBMNEYYCQY-UHFFFAOYSA-N	-2	1	367.372	1.341	20	5		FDBDML
Cc1nnsc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000427259270	680970724	/nfs/dbraw/zinc/97/07/24/680970724.db2.gz	WEFOJVNHDKWAIK-UHFFFAOYSA-N	-2	1	372.384	1.240	20	5		FDBDML
COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000436479444	681697885	/nfs/dbraw/zinc/69/78/85/681697885.db2.gz	UHPWEYZDDGGFLX-UHFFFAOYSA-N	-2	1	352.324	1.888	20	5		FDBDML
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000823647274	946460022	/nfs/dbraw/zinc/46/00/22/946460022.db2.gz	JSBLSKUAOYVFAL-UHFFFAOYSA-N	-2	1	353.345	1.032	20	5		FDBDML
Cc1cccc([C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC001594399279	958825026	/nfs/dbraw/zinc/82/50/26/958825026.db2.gz	DCCULQZDRKLVIV-GFCCVEGCSA-N	-2	1	351.340	1.402	20	5		FDBDML
Nc1ccc(N)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1	ZINC001174505981	962886306	/nfs/dbraw/zinc/88/63/06/962886306.db2.gz	XGHGJONPSQIZHQ-UHFFFAOYSA-N	-2	1	352.328	1.258	20	5		FDBDML
O=C([O-])c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000833308656	979151415	/nfs/dbraw/zinc/15/14/15/979151415.db2.gz	YHIFNPBTMGKWOH-UHFFFAOYSA-N	-2	1	372.336	1.854	20	5		FDBDML
COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275150888	181249952	/nfs/dbraw/zinc/24/99/52/181249952.db2.gz	YNZDFYFIZMHYBN-MRVPVSSYSA-N	-2	1	352.752	1.016	20	5		FDBDML
NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000029322555	519286891	/nfs/dbraw/zinc/28/68/91/519286891.db2.gz	JZSBRWLSDIAUGI-UHFFFAOYSA-N	-2	1	352.328	1.592	20	5		FDBDML
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCC1CCOCC1	ZINC000292301163	537726586	/nfs/dbraw/zinc/72/65/86/537726586.db2.gz	AOXLFFOUHUIDFW-UHFFFAOYSA-N	-2	1	358.372	1.851	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@]2(C)CCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000567808884	548267543	/nfs/dbraw/zinc/26/75/43/548267543.db2.gz	BROWLNSWMHNTFE-TVQRCGJNSA-N	-2	1	360.392	1.123	20	5		FDBDML
Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)n1	ZINC000573604131	550175248	/nfs/dbraw/zinc/17/52/48/550175248.db2.gz	MRKVDRNCETTYMK-ZETCQYMHSA-N	-2	1	370.343	1.332	20	5		FDBDML
Cc1cccc(C[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C(=O)[O-])c1	ZINC000738712166	600103171	/nfs/dbraw/zinc/10/31/71/600103171.db2.gz	YMRUDYFVNUPRLM-GFCCVEGCSA-N	-2	1	359.338	1.677	20	5		FDBDML
CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000846002110	950316436	/nfs/dbraw/zinc/31/64/36/950316436.db2.gz	CDAPAPYTASVGPK-UHFFFAOYSA-N	-2	1	372.186	1.248	20	5		FDBDML
Cc1cccc([C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(=O)[O-])c1	ZINC001594399723	958836921	/nfs/dbraw/zinc/83/69/21/958836921.db2.gz	SCHOXUURHBPXFY-LBPRGKRZSA-N	-2	1	351.340	1.402	20	5		FDBDML
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776616629	967529590	/nfs/dbraw/zinc/52/95/90/967529590.db2.gz	POLQEUGQSSGXTP-MWLCHTKSSA-N	-2	1	366.779	1.141	20	5		FDBDML
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)cc1F	ZINC001605225380	972979319	/nfs/dbraw/zinc/97/93/19/972979319.db2.gz	UYHIJMWICMWINE-UHFFFAOYSA-N	-2	1	360.363	1.964	20	5		FDBDML
CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837289169	979271790	/nfs/dbraw/zinc/27/17/90/979271790.db2.gz	VUQPTNNMERCLKJ-UHFFFAOYSA-N	-2	1	354.743	1.776	20	5		FDBDML
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)n1	ZINC000573604130	550175279	/nfs/dbraw/zinc/17/52/79/550175279.db2.gz	MRKVDRNCETTYMK-SSDOTTSWSA-N	-2	1	370.343	1.332	20	5		FDBDML
O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000740511198	601989737	/nfs/dbraw/zinc/98/97/37/601989737.db2.gz	FHCHEPHTFMJYJQ-VIFPVBQESA-N	-2	1	361.351	1.402	20	5		FDBDML
CCN(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000739434127	602552197	/nfs/dbraw/zinc/55/21/97/602552197.db2.gz	KVXKEJFTERYWSK-UHFFFAOYSA-N	-2	1	351.768	1.526	20	5		FDBDML
Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000325455561	676576011	/nfs/dbraw/zinc/57/60/11/676576011.db2.gz	YWRIPHKNMJKFGD-LLVKDONJSA-N	-2	1	374.762	1.086	20	5		FDBDML
O=[N+]([O-])c1cc[n+]([O-])cc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167937254	811063633	/nfs/dbraw/zinc/06/36/33/811063633.db2.gz	VGESHSHQIQNMBO-UHFFFAOYSA-N	-2	1	351.255	1.313	20	5		FDBDML
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000819088320	955430298	/nfs/dbraw/zinc/43/02/98/955430298.db2.gz	BPWPXPSJZNELFE-IZLXSQMJSA-N	-2	1	352.727	1.529	20	5		FDBDML
CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776565520	979365768	/nfs/dbraw/zinc/36/57/68/979365768.db2.gz	TUHWKXCHAHZHRO-SECBINFHSA-N	-2	1	350.780	1.883	20	5		FDBDML
COCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275112991	181241990	/nfs/dbraw/zinc/24/19/90/181241990.db2.gz	SCEKUWBZWSUDOS-QMMMGPOBSA-N	-2	1	352.752	1.016	20	5		FDBDML
Cc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)o1	ZINC000544924456	541854793	/nfs/dbraw/zinc/85/47/93/541854793.db2.gz	BNSRUATWTMZINQ-UHFFFAOYSA-N	-2	1	355.328	1.376	20	5		FDBDML
O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548553755	542700679	/nfs/dbraw/zinc/70/06/79/542700679.db2.gz	GPZRMDSPZPEDPV-SNVBAGLBSA-N	-2	1	374.758	1.815	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000548594177	542714542	/nfs/dbraw/zinc/71/45/42/542714542.db2.gz	VOSJXFCXWYTMOX-UHFFFAOYSA-N	-2	1	362.408	1.371	20	5		FDBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC000128940403	173123556	/nfs/dbraw/zinc/12/35/56/173123556.db2.gz	PBIBFEZBONMJHV-UHFFFAOYSA-N	-2	1	360.355	1.884	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)c([N+](=O)[O-])n1	ZINC000569118931	548804123	/nfs/dbraw/zinc/80/41/23/548804123.db2.gz	VDTSTMDGBQSJIJ-UHFFFAOYSA-N	-2	1	360.392	1.267	20	5		FDBDML
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F	ZINC000580967419	551038312	/nfs/dbraw/zinc/03/83/12/551038312.db2.gz	NVJLMVGCHLLXJK-LURJTMIESA-N	-2	1	374.268	1.665	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c([N+](=O)[O-])n1	ZINC000614314883	555037080	/nfs/dbraw/zinc/03/70/80/555037080.db2.gz	POIOTEOSLUUHQA-MRVPVSSYSA-N	-2	1	374.400	1.367	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739040050	601991016	/nfs/dbraw/zinc/99/10/16/601991016.db2.gz	QBUWYQUCYJSLFS-DTWKUNHWSA-N	-2	1	363.417	1.713	20	5		FDBDML
O=C([O-])N(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000740488140	602044645	/nfs/dbraw/zinc/04/46/45/602044645.db2.gz	DNUFJZFFBUGIPH-UHFFFAOYSA-N	-2	1	363.779	1.669	20	5		FDBDML
CCN(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000739434131	602552245	/nfs/dbraw/zinc/55/22/45/602552245.db2.gz	LBTYZJJAWPLPLW-UHFFFAOYSA-N	-2	1	351.768	1.526	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1	ZINC000825501415	603111546	/nfs/dbraw/zinc/11/15/46/603111546.db2.gz	DGHROWJBNSYUFP-ZJUUUORDSA-N	-2	1	358.376	1.047	20	5		FDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1	ZINC000833747177	605152470	/nfs/dbraw/zinc/15/24/70/605152470.db2.gz	SGVAKVLGDHTRNC-UHFFFAOYSA-N	-3	1	355.328	1.446	20	5		FDBDML
Cn1c2cc([O-])c(NC(=O)c3cccc([O-])c3[N+](=O)[O-])cc2n(C)c1=O	ZINC000428014191	820878796	/nfs/dbraw/zinc/87/87/96/820878796.db2.gz	MGCIDLPWXVGYKO-UHFFFAOYSA-N	-2	1	358.310	1.449	20	5		FDBDML
Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001174504315	962884521	/nfs/dbraw/zinc/88/45/21/962884521.db2.gz	LRCASOJFUCGWCL-UHFFFAOYSA-N	-2	1	351.340	1.984	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593347471	994956754	/nfs/dbraw/zinc/95/67/54/994956754.db2.gz	LVHZONKESNINQI-ZETCQYMHSA-N	-2	1	357.369	1.789	20	5		FDBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1cccnc1	ZINC000547939215	542494629	/nfs/dbraw/zinc/49/46/29/542494629.db2.gz	BAAJRCSSMYECEP-SNVBAGLBSA-N	-2	1	371.396	1.273	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548224076	542591352	/nfs/dbraw/zinc/59/13/52/542591352.db2.gz	XMWVYAQQCAIZJN-MFKMUULPSA-N	-2	1	360.392	1.123	20	5		FDBDML
CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548264568	542604410	/nfs/dbraw/zinc/60/44/10/542604410.db2.gz	MIOSGCKXOQAESH-VHSXEESVSA-N	-2	1	366.779	1.141	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c([N+](=O)[O-])n1	ZINC000548551242	542699949	/nfs/dbraw/zinc/69/99/49/542699949.db2.gz	HXBKVXQBZAKGHA-QMTHXVAHSA-N	-2	1	374.419	1.371	20	5		FDBDML
CCOC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000290954285	537491383	/nfs/dbraw/zinc/49/13/83/537491383.db2.gz	MMZOHPPJRZZJDO-MRVPVSSYSA-N	-2	1	352.752	1.016	20	5		FDBDML
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000572846173	550008332	/nfs/dbraw/zinc/00/83/32/550008332.db2.gz	QIVITNJUSMAQMR-ZCFIWIBFSA-N	-2	1	356.316	1.024	20	5		FDBDML
Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000572846172	550008455	/nfs/dbraw/zinc/00/84/55/550008455.db2.gz	QIVITNJUSMAQMR-LURJTMIESA-N	-2	1	356.316	1.024	20	5		FDBDML
Cc1ccc([C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)[O-])cc1C	ZINC000600665170	553295799	/nfs/dbraw/zinc/29/57/99/553295799.db2.gz	OEYXXZJQCGZJCL-LBPRGKRZSA-N	-2	1	368.371	1.049	20	5		FDBDML
CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000738751995	602317931	/nfs/dbraw/zinc/31/79/31/602317931.db2.gz	HOCGIEYHEZJLIR-UHFFFAOYSA-N	-2	1	351.768	1.573	20	5		FDBDML
O=C([O-])NC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000740614383	603070284	/nfs/dbraw/zinc/07/02/84/603070284.db2.gz	RMTGKMXEQAKCRB-VIFPVBQESA-N	-2	1	363.779	1.573	20	5		FDBDML
O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1O	ZINC000325676143	676577372	/nfs/dbraw/zinc/57/73/72/676577372.db2.gz	NCOFAZPUUMDKEJ-UHFFFAOYSA-N	-2	1	352.324	1.941	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)ccc1[O-]	ZINC000521058922	690381165	/nfs/dbraw/zinc/38/11/65/690381165.db2.gz	PUZNTZAOAVEVGL-UHFFFAOYSA-N	-2	1	361.339	1.886	20	5		FDBDML
COC(=O)CC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000548569131	542705851	/nfs/dbraw/zinc/70/58/51/542705851.db2.gz	IOQNIQYKUZXOEU-UHFFFAOYSA-N	-2	1	372.355	1.378	20	5		FDBDML
Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000069147867	521819297	/nfs/dbraw/zinc/81/92/97/521819297.db2.gz	PZASHNARLZIEBL-UHFFFAOYSA-N	-2	1	351.340	1.509	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])n1	ZINC000574615231	550342055	/nfs/dbraw/zinc/34/20/55/550342055.db2.gz	NHEVIABKJMGETO-NXEZZACHSA-N	-2	1	360.392	1.123	20	5		FDBDML
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000392198514	599851996	/nfs/dbraw/zinc/85/19/96/599851996.db2.gz	CXRAAGQYBNYLAV-UHFFFAOYSA-N	-3	1	356.287	1.939	20	5		FDBDML
O=C([O-])NC1CCC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000740559975	603087094	/nfs/dbraw/zinc/08/70/94/603087094.db2.gz	PSKFOBPSMMQPIY-UHFFFAOYSA-N	-2	1	361.351	1.591	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2)c([N+](=O)[O-])n1	ZINC000516881849	604506221	/nfs/dbraw/zinc/50/62/21/604506221.db2.gz	IEQYSJREYQTVHS-LLVKDONJSA-N	-2	1	368.371	1.306	20	5		FDBDML
C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000521058819	690381109	/nfs/dbraw/zinc/38/11/09/690381109.db2.gz	FMUGKKGSZCZBGG-QFIPXVFZSA-N	-2	1	356.381	1.839	20	5		FDBDML
O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000840789628	826818346	/nfs/dbraw/zinc/81/83/46/826818346.db2.gz	HMYBXBDRLSRJIM-ZCFIWIBFSA-N	-2	1	360.241	1.315	20	5		FDBDML
Nc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001176680338	963509902	/nfs/dbraw/zinc/50/99/02/963509902.db2.gz	ZHFLVKCAWQKWRR-UHFFFAOYSA-N	-2	1	355.303	1.815	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000776504269	978730814	/nfs/dbraw/zinc/73/08/14/978730814.db2.gz	RTBFIDHPVAJVEN-HQJQHLMTSA-N	-2	1	364.763	1.016	20	5		FDBDML
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274932743	181199199	/nfs/dbraw/zinc/19/91/99/181199199.db2.gz	CUBQKEFEDHXZMV-SECBINFHSA-N	-2	1	364.763	1.349	20	5		FDBDML
COCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275112984	181241766	/nfs/dbraw/zinc/24/17/66/181241766.db2.gz	SCEKUWBZWSUDOS-MRVPVSSYSA-N	-2	1	352.752	1.016	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])n1	ZINC000548269326	542606600	/nfs/dbraw/zinc/60/66/00/542606600.db2.gz	WCQRYMWVERIWSJ-VIFPVBQESA-N	-2	1	362.408	1.369	20	5		FDBDML
Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000468494325	538741524	/nfs/dbraw/zinc/74/15/24/538741524.db2.gz	BNACHJNHTHDKKV-UHFFFAOYSA-N	-2	1	369.337	1.925	20	5		FDBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2F)ccc1[N+](=O)[O-]	ZINC000610753746	554558087	/nfs/dbraw/zinc/55/80/87/554558087.db2.gz	AEXBOBLKRRQKEY-UHFFFAOYSA-N	-2	1	356.287	1.939	20	5		FDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1F	ZINC000776449805	601810919	/nfs/dbraw/zinc/81/09/19/601810919.db2.gz	AYIQXUBUKASYID-LBPRGKRZSA-N	-2	1	372.305	1.977	20	5		FDBDML
O=C([O-])N(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000740488144	602044881	/nfs/dbraw/zinc/04/48/81/602044881.db2.gz	DUMHRSWJJGNWAF-UHFFFAOYSA-N	-2	1	363.779	1.669	20	5		FDBDML
O=C([O-])N1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000740522053	602593310	/nfs/dbraw/zinc/59/33/10/602593310.db2.gz	YEPVJPVQESGJJL-VIFPVBQESA-N	-2	1	363.779	1.669	20	5		FDBDML
O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000832140263	603142548	/nfs/dbraw/zinc/14/25/48/603142548.db2.gz	IGMBNLZCURTQHA-JTQLQIEISA-N	-2	1	371.396	1.944	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)ccc1[O-]	ZINC000495402377	687621769	/nfs/dbraw/zinc/62/17/69/687621769.db2.gz	QEXAWNRUKHJACS-UHFFFAOYSA-N	-2	1	362.327	1.077	20	5		FDBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1	ZINC000504259615	688423654	/nfs/dbraw/zinc/42/36/54/688423654.db2.gz	JTBKHVGFMGKAPO-UHFFFAOYSA-N	-3	1	356.287	1.939	20	5		FDBDML
CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000788698798	932787377	/nfs/dbraw/zinc/78/73/77/932787377.db2.gz	KXIHOLMASTTXOH-MRVPVSSYSA-N	-2	1	352.752	1.016	20	5		FDBDML
CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776616613	967529630	/nfs/dbraw/zinc/52/96/30/967529630.db2.gz	POLQEUGQSSGXTP-GXSJLCMTSA-N	-2	1	366.779	1.141	20	5		FDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccsc1	ZINC000776571229	979392499	/nfs/dbraw/zinc/39/24/99/979392499.db2.gz	MIOXNUAJBGYIOY-SNVBAGLBSA-N	-2	1	360.344	1.900	20	5		FDBDML
CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275090182	181235201	/nfs/dbraw/zinc/23/52/01/181235201.db2.gz	OWLKHMKMNXAEDM-ZETCQYMHSA-N	-2	1	367.177	1.499	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@@H](C)C2)c([N+](=O)[O-])n1	ZINC000558590434	544475974	/nfs/dbraw/zinc/47/59/74/544475974.db2.gz	KDKSVJYGIUJJLJ-NOZJJQNGSA-N	-2	1	360.392	1.123	20	5		FDBDML
CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000029324082	519287694	/nfs/dbraw/zinc/28/76/94/519287694.db2.gz	VXIOGTKPELGWQS-UHFFFAOYSA-N	-2	1	366.355	1.853	20	5		FDBDML
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000031720981	519458722	/nfs/dbraw/zinc/45/87/22/519458722.db2.gz	ZEAOBBHHVZBIIR-UHFFFAOYSA-N	-2	1	371.758	1.854	20	5		FDBDML
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1	ZINC000591257254	551854234	/nfs/dbraw/zinc/85/42/34/551854234.db2.gz	ZOGHMKBZUZSTLB-SNVBAGLBSA-N	-2	1	350.299	1.759	20	5		FDBDML
Cc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000600651287	553291484	/nfs/dbraw/zinc/29/14/84/553291484.db2.gz	GBHIBSCMMSJOIS-LLVKDONJSA-N	-2	1	368.371	1.131	20	5		FDBDML
O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000740168395	599940441	/nfs/dbraw/zinc/94/04/41/599940441.db2.gz	SPLYYUANBVVXFB-UHFFFAOYSA-N	-2	1	372.380	1.712	20	5		FDBDML
COC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000831632550	601804900	/nfs/dbraw/zinc/80/49/00/601804900.db2.gz	WZKQVSCPWUOJIE-LLVKDONJSA-N	-2	1	352.752	1.016	20	5		FDBDML
C[C@](CNC(=O)[O-])([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1	ZINC000738922093	602707377	/nfs/dbraw/zinc/70/73/77/602707377.db2.gz	ABSVAJNBEGLXDT-CYBMUJFWSA-N	-2	1	361.351	1.449	20	5		FDBDML
CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])NC(=O)[O-]	ZINC000738793855	602788662	/nfs/dbraw/zinc/78/86/62/602788662.db2.gz	MZBRJXTVQQUPRP-SECBINFHSA-N	-2	1	365.795	1.819	20	5		FDBDML
O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000389967311	678778021	/nfs/dbraw/zinc/77/80/21/678778021.db2.gz	GYZGUVPANAXBLN-ZCFIWIBFSA-N	-2	1	358.706	1.635	20	5		FDBDML
CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1	ZINC000414349550	679341336	/nfs/dbraw/zinc/34/13/36/679341336.db2.gz	YFWKYKQQILLOEF-UHFFFAOYSA-N	-2	1	369.355	1.712	20	5		FDBDML
O=C([O-])CCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000841781788	955593247	/nfs/dbraw/zinc/59/32/47/955593247.db2.gz	XZVIBAREGVVTON-UHFFFAOYSA-N	-2	1	354.743	1.921	20	5		FDBDML
CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000274979189	181210476	/nfs/dbraw/zinc/21/04/76/181210476.db2.gz	XMDKECHYTRDLFB-ZETCQYMHSA-N	-2	1	367.177	1.499	20	5		FDBDML
O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000582999920	551289367	/nfs/dbraw/zinc/28/93/67/551289367.db2.gz	GOWXQWCJUNUTNK-UHFFFAOYSA-N	-2	1	356.381	1.876	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([N+](=O)[O-])n1	ZINC000593945607	552231548	/nfs/dbraw/zinc/23/15/48/552231548.db2.gz	UDWULGHAGUTAPP-KXUCPTDWSA-N	-2	1	374.419	1.225	20	5		FDBDML
Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000610111100	554462765	/nfs/dbraw/zinc/46/27/65/554462765.db2.gz	SRTSKLJDJYMTBE-UHFFFAOYSA-N	-2	1	355.310	1.583	20	5		FDBDML
O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000739926389	603240474	/nfs/dbraw/zinc/24/04/74/603240474.db2.gz	HQARZMZQUJRHKC-SECBINFHSA-N	-2	1	363.779	1.669	20	5		FDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(F)c1	ZINC000499284103	687931164	/nfs/dbraw/zinc/93/11/64/687931164.db2.gz	ALJAVBPWKGOJBB-UHFFFAOYSA-N	-2	1	369.330	1.648	20	5		FDBDML
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cc1	ZINC000823644171	946460700	/nfs/dbraw/zinc/46/07/00/946460700.db2.gz	GLHZOTRJXWLFAZ-UHFFFAOYSA-N	-2	1	353.345	1.032	20	5		FDBDML
Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000832924210	979056517	/nfs/dbraw/zinc/05/65/17/979056517.db2.gz	ZCTPWDVCHKSENB-GFCCVEGCSA-N	-2	1	365.367	1.445	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@H](CC2CCCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000776554787	979225033	/nfs/dbraw/zinc/22/50/33/979225033.db2.gz	JOVSNQUVGQNGQM-NSHDSACASA-N	-2	1	374.419	1.371	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])n1	ZINC001597898092	989764923	/nfs/dbraw/zinc/76/49/23/989764923.db2.gz	DNUSGUJJKVCBIR-NSHDSACASA-N	-2	1	374.419	1.371	20	5		FDBDML
COc1ccc([C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC001599532073	997672400	/nfs/dbraw/zinc/67/24/00/997672400.db2.gz	NXJZLVDUXDXPOT-GFCCVEGCSA-N	-2	1	372.380	1.769	20	5		FDBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccn1	ZINC000548536159	542694025	/nfs/dbraw/zinc/69/40/25/542694025.db2.gz	VVBBKDSTBZRLFI-SECBINFHSA-N	-2	1	371.396	1.273	20	5		FDBDML
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F	ZINC000580967432	551038444	/nfs/dbraw/zinc/03/84/44/551038444.db2.gz	NVJLMVGCHLLXJK-ZCFIWIBFSA-N	-2	1	374.268	1.665	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCCCC2)c([N+](=O)[O-])n1	ZINC000592144881	551949362	/nfs/dbraw/zinc/94/93/62/551949362.db2.gz	JXYAMBVGEWJZSN-NSHDSACASA-N	-2	1	374.419	1.513	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000611164741	554611097	/nfs/dbraw/zinc/61/10/97/554611097.db2.gz	ZOHORVLJACLPIL-YFKPBYRVSA-N	-2	1	353.150	1.109	20	5		FDBDML
O=C([O-])CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1	ZINC000833222569	600741629	/nfs/dbraw/zinc/74/16/29/600741629.db2.gz	UJGHLCDSALMNDZ-LBPRGKRZSA-N	-2	1	365.367	1.874	20	5		FDBDML
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000822331994	607026462	/nfs/dbraw/zinc/02/64/62/607026462.db2.gz	KHRVQWNZINZUIP-UHFFFAOYSA-N	-2	1	367.372	1.341	20	5		FDBDML
CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000263568954	672882554	/nfs/dbraw/zinc/88/25/54/672882554.db2.gz	YWPIEXAYCUMRBZ-JTQLQIEISA-N	-2	1	354.743	1.775	20	5		FDBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1	ZINC000467188458	684849442	/nfs/dbraw/zinc/84/94/42/684849442.db2.gz	ZBFDXIVOLYUPGV-UHFFFAOYSA-N	-2	1	361.336	1.209	20	5		FDBDML
O=C1OCc2c1cccc2[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000808128449	940517273	/nfs/dbraw/zinc/51/72/73/940517273.db2.gz	VPBACLPTVSOCRO-UHFFFAOYSA-N	-2	1	350.308	1.772	20	5		FDBDML
O=C([O-])Cn1cnc([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1	ZINC001595160506	952192299	/nfs/dbraw/zinc/19/22/99/952192299.db2.gz	NZCJALFZFSLDLX-UHFFFAOYSA-N	-2	1	359.220	1.542	20	5		FDBDML
O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837294711	979273319	/nfs/dbraw/zinc/27/33/19/979273319.db2.gz	WZMSBLKCRGFQLK-SECBINFHSA-N	-2	1	366.754	1.919	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC001599902745	984870123	/nfs/dbraw/zinc/87/01/23/984870123.db2.gz	NQSRBHPWSXELEO-ZETCQYMHSA-N	-2	1	357.369	1.789	20	5		FDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)ccc1[O-]	ZINC000519119875	539467503	/nfs/dbraw/zinc/46/75/03/539467503.db2.gz	TZFZWKIZDAKQLH-UHFFFAOYSA-N	-2	1	361.339	1.682	20	5		FDBDML
CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)on1	ZINC000545547605	541997271	/nfs/dbraw/zinc/99/72/71/541997271.db2.gz	JAHOLHOIGNTWEQ-UHFFFAOYSA-N	-2	1	369.355	1.630	20	5		FDBDML
O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000547869443	542469735	/nfs/dbraw/zinc/46/97/35/542469735.db2.gz	ILCYGVFCKIUNHM-UHFFFAOYSA-N	-2	1	356.381	1.876	20	5		FDBDML
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000567959881	548337592	/nfs/dbraw/zinc/33/75/92/548337592.db2.gz	LZODSDJQTGXKOP-SSDOTTSWSA-N	-2	1	352.738	1.487	20	5		FDBDML
O=C([O-])c1cccc(S(=O)(=O)[N-]CCCC(F)(F)F)c1[N+](=O)[O-]	ZINC000576164457	550518162	/nfs/dbraw/zinc/51/81/62/550518162.db2.gz	ZDVCYDFKTVVIBT-UHFFFAOYSA-N	-2	1	356.278	1.914	20	5		FDBDML
COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000327532415	600004419	/nfs/dbraw/zinc/00/44/19/600004419.db2.gz	SYBXFIUAWASAKD-UHFFFAOYSA-N	-3	1	368.323	1.808	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1	ZINC000825501413	603111434	/nfs/dbraw/zinc/11/14/34/603111434.db2.gz	DGHROWJBNSYUFP-UWVGGRQHSA-N	-2	1	358.376	1.047	20	5		FDBDML
O=C([O-])NC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000832515158	603135471	/nfs/dbraw/zinc/13/54/71/603135471.db2.gz	POJKENAMWOQWNJ-BDAKNGLRSA-N	-2	1	363.417	1.761	20	5		FDBDML
C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000462099218	684613678	/nfs/dbraw/zinc/61/36/78/684613678.db2.gz	BSXSRHHQYIFCIW-JOCHJYFZSA-N	-2	1	356.381	1.839	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000485038368	686672068	/nfs/dbraw/zinc/67/20/68/686672068.db2.gz	YARAVPXORTYWSB-SECBINFHSA-N	-2	1	362.408	1.369	20	5		FDBDML
O=C([O-])/C=C/C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000788447790	932701381	/nfs/dbraw/zinc/70/13/81/932701381.db2.gz	QMEHVMQESFOQNQ-OWOJBTEDSA-N	-2	1	365.161	1.276	20	5		FDBDML
C[C@@](CCF)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001592508550	978336485	/nfs/dbraw/zinc/33/64/85/978336485.db2.gz	ZKSDPVVCZJSINK-NSHDSACASA-N	-2	1	354.743	1.729	20	5		FDBDML
O=C([O-])CSCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000275059998	181228207	/nfs/dbraw/zinc/22/82/07/181228207.db2.gz	UPMDJNYXUFJVHG-UHFFFAOYSA-N	-2	1	354.793	1.344	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c([N+](=O)[O-])n1	ZINC000548218849	542589956	/nfs/dbraw/zinc/58/99/56/542589956.db2.gz	FLXVLBKKZCSFKC-JTQLQIEISA-N	-2	1	362.408	1.227	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000570375153	549256171	/nfs/dbraw/zinc/25/61/71/549256171.db2.gz	AZUYGCDFIUNFPA-MNOVXSKESA-N	-2	1	374.419	1.513	20	5		FDBDML
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1	ZINC000574045366	550251435	/nfs/dbraw/zinc/25/14/35/550251435.db2.gz	QDGHAYLKGNQNAV-GXSJLCMTSA-N	-2	1	369.399	1.197	20	5		FDBDML
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1	ZINC000580436910	550982277	/nfs/dbraw/zinc/98/22/77/550982277.db2.gz	BNULJWIPQILVPF-SSDOTTSWSA-N	-2	1	370.343	1.332	20	5		FDBDML
COCCOCCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000600661482	553294845	/nfs/dbraw/zinc/29/48/45/553294845.db2.gz	YXSVWSRLLLKRKU-UHFFFAOYSA-N	-2	1	362.360	1.006	20	5		FDBDML
O=C([O-])CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000040446551	597131522	/nfs/dbraw/zinc/13/15/22/597131522.db2.gz	SXSMVUFWUNWKCX-UHFFFAOYSA-N	-2	1	353.150	1.110	20	5		FDBDML
O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000740511196	601989857	/nfs/dbraw/zinc/98/98/57/601989857.db2.gz	FHCHEPHTFMJYJQ-SECBINFHSA-N	-2	1	361.351	1.402	20	5		FDBDML
O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000833188301	601991738	/nfs/dbraw/zinc/99/17/38/601991738.db2.gz	WMINMNVSAHAJSH-GHMZBOCLSA-N	-2	1	357.388	1.692	20	5		FDBDML
O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000833188307	601991804	/nfs/dbraw/zinc/99/18/04/601991804.db2.gz	WMINMNVSAHAJSH-WDEREUQCSA-N	-2	1	357.388	1.692	20	5		FDBDML
CC(C)C[C@@H](NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000826794465	604264926	/nfs/dbraw/zinc/26/49/26/604264926.db2.gz	YJOKBNASGMREAN-GFCCVEGCSA-N	-2	1	354.315	1.073	20	5		FDBDML
C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1	ZINC000825396648	604582830	/nfs/dbraw/zinc/58/28/30/604582830.db2.gz	CBULEHFVHUPHBB-VIFPVBQESA-N	-2	1	360.326	1.954	20	5		FDBDML
CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274908243	674597866	/nfs/dbraw/zinc/59/78/66/674597866.db2.gz	JUQQFQPNXADOEP-MRVPVSSYSA-N	-2	1	368.820	1.733	20	5		FDBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)ccc1[N+](=O)[O-]	ZINC000474409475	685405195	/nfs/dbraw/zinc/40/51/95/685405195.db2.gz	LQKDZPMEIDRGEC-UHFFFAOYSA-N	-2	1	363.311	1.365	20	5		FDBDML
O=C([O-])[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c2ccccc21	ZINC001594903185	954651703	/nfs/dbraw/zinc/65/17/03/954651703.db2.gz	SRFKDDQCHSPSNK-VXGBXAGGSA-N	-2	1	363.351	1.581	20	5		FDBDML
CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)on1	ZINC000544929703	541856971	/nfs/dbraw/zinc/85/69/71/541856971.db2.gz	MZZHUTRJTRRYOU-UHFFFAOYSA-N	-2	1	355.328	1.322	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(C)cc2)c([N+](=O)[O-])n1	ZINC000548206713	542585740	/nfs/dbraw/zinc/58/57/40/542585740.db2.gz	BSDAZPQZTRYGSX-GFCCVEGCSA-N	-2	1	368.371	1.224	20	5		FDBDML
O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000548237390	542596756	/nfs/dbraw/zinc/59/67/56/542596756.db2.gz	IRBNNKRKVOHPLZ-UHFFFAOYSA-N	-2	1	356.381	1.876	20	5		FDBDML
O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548553752	542700715	/nfs/dbraw/zinc/70/07/15/542700715.db2.gz	GPZRMDSPZPEDPV-JTQLQIEISA-N	-2	1	374.758	1.815	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@]2(C)CCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000567808882	548267391	/nfs/dbraw/zinc/26/73/91/548267391.db2.gz	BROWLNSWMHNTFE-NOZJJQNGSA-N	-2	1	360.392	1.123	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000570375154	549256088	/nfs/dbraw/zinc/25/60/88/549256088.db2.gz	AZUYGCDFIUNFPA-QWRGUYRKSA-N	-2	1	374.419	1.513	20	5		FDBDML
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1	ZINC000574045371	550251573	/nfs/dbraw/zinc/25/15/73/550251573.db2.gz	QDGHAYLKGNQNAV-MWLCHTKSSA-N	-2	1	369.399	1.197	20	5		FDBDML
O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000579106611	550836365	/nfs/dbraw/zinc/83/63/65/550836365.db2.gz	ZYPRULBXUNBKJJ-LURJTMIESA-N	-2	1	360.241	1.315	20	5		FDBDML
CCOC(=O)c1ccnc([N-]c2cnn(C(C)(C)C(=O)[O-])c2)c1[N+](=O)[O-]	ZINC000595981565	552641013	/nfs/dbraw/zinc/64/10/13/552641013.db2.gz	XWLQBLRTYQDHAA-UHFFFAOYSA-N	-2	1	363.330	1.926	20	5		FDBDML
O=C([O-])c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c[nH]1	ZINC000833301282	600689854	/nfs/dbraw/zinc/68/98/54/600689854.db2.gz	VEVODWOPXCSPIG-UHFFFAOYSA-N	-2	1	355.284	1.120	20	5		FDBDML
O=C([O-])CC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOCC1	ZINC000833205488	601270869	/nfs/dbraw/zinc/27/08/69/601270869.db2.gz	BEJHUEODLBCIMX-UHFFFAOYSA-N	-2	1	362.335	1.036	20	5		FDBDML
Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000833050064	601783770	/nfs/dbraw/zinc/78/37/70/601783770.db2.gz	DTCNRNOCAYPHLB-UHFFFAOYSA-N	-2	1	369.311	1.131	20	5		FDBDML
CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776616630	967529472	/nfs/dbraw/zinc/52/94/72/967529472.db2.gz	POLQEUGQSSGXTP-ONGXEEELSA-N	-2	1	366.779	1.141	20	5		FDBDML
COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837286961	979270132	/nfs/dbraw/zinc/27/01/32/979270132.db2.gz	QCUNCWQXPGVBAL-QMMMGPOBSA-N	-2	1	370.742	1.155	20	5		FDBDML
CC[C@](COC)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001595200410	979949753	/nfs/dbraw/zinc/94/97/53/979949753.db2.gz	ZTLDGSODGMDJEF-GFCCVEGCSA-N	-2	1	366.779	1.406	20	5		FDBDML
CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC001598523426	992687783	/nfs/dbraw/zinc/68/77/83/992687783.db2.gz	FOYJNLLZHSXZDG-UHFFFAOYSA-N	-2	1	361.310	1.431	20	5		FDBDML
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-]	ZINC001599150460	998287501	/nfs/dbraw/zinc/28/75/01/998287501.db2.gz	MRABBOBAIXOQLD-ZDUSSCGKSA-N	-2	1	364.351	1.200	20	5		FDBDML
O=C([O-])CSCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000274935703	181199990	/nfs/dbraw/zinc/19/99/90/181199990.db2.gz	DEOSXYTUAOBNFZ-UHFFFAOYSA-N	-2	1	354.793	1.344	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548224074	542591577	/nfs/dbraw/zinc/59/15/77/542591577.db2.gz	XMWVYAQQCAIZJN-GWCFXTLKSA-N	-2	1	360.392	1.123	20	5		FDBDML
C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000560077495	544883740	/nfs/dbraw/zinc/88/37/40/544883740.db2.gz	RQFVHJYJXZJWKK-XCBNKYQSSA-N	-2	1	366.417	1.591	20	5		FDBDML
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1	ZINC000574045372	550251560	/nfs/dbraw/zinc/25/15/60/550251560.db2.gz	QDGHAYLKGNQNAV-ONGXEEELSA-N	-2	1	369.399	1.197	20	5		FDBDML
O=C1NCCc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21	ZINC000609761150	554419401	/nfs/dbraw/zinc/41/94/01/554419401.db2.gz	GVCOEWBQRNQQMJ-UHFFFAOYSA-N	-2	1	363.351	1.387	20	5		FDBDML
CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])[nH]n1	ZINC000829566375	602306091	/nfs/dbraw/zinc/30/60/91/602306091.db2.gz	JYICYURULZVMTE-UHFFFAOYSA-N	-2	1	354.344	1.769	20	5		FDBDML
CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])NC(=O)[O-]	ZINC000738793857	602788928	/nfs/dbraw/zinc/78/89/28/602788928.db2.gz	MZBRJXTVQQUPRP-VIFPVBQESA-N	-2	1	365.795	1.819	20	5		FDBDML
O=C([O-])N1CCCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000740519049	602866875	/nfs/dbraw/zinc/86/68/75/602866875.db2.gz	MBNGEERACSGPGC-VIFPVBQESA-N	-2	1	361.351	1.545	20	5		FDBDML
Cc1cscc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826321442	607664049	/nfs/dbraw/zinc/66/40/49/607664049.db2.gz	FONIQHGLFSFSCQ-UHFFFAOYSA-N	-2	1	366.384	1.946	20	5		FDBDML
Cc1cscc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826321442	607664050	/nfs/dbraw/zinc/66/40/50/607664050.db2.gz	FONIQHGLFSFSCQ-UHFFFAOYSA-N	-2	1	366.384	1.946	20	5		FDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(O)c2)c1-c1nn[n-]n1	ZINC000826500365	608095349	/nfs/dbraw/zinc/09/53/49/608095349.db2.gz	VUQIPUYOSYSEAT-UHFFFAOYSA-N	-2	1	362.327	1.281	20	5		FDBDML
CCc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000290756759	676229576	/nfs/dbraw/zinc/22/95/76/676229576.db2.gz	YWKIECUJBRYNLC-UHFFFAOYSA-N	-2	1	372.384	1.185	20	5		FDBDML
Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000284026842	675669543	/nfs/dbraw/zinc/66/95/43/675669543.db2.gz	NYDURGAYUHIXFS-UHFFFAOYSA-N	-2	1	370.343	1.198	20	5		FDBDML
O=C([O-])[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC001594843875	954111016	/nfs/dbraw/zinc/11/10/16/954111016.db2.gz	UKJNBAXMYFJTSU-NSHDSACASA-N	-2	1	369.330	1.103	20	5		FDBDML
C[C@@](CC(=O)[O-])(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(F)c1	ZINC001592310718	977685213	/nfs/dbraw/zinc/68/52/13/977685213.db2.gz	HHOJOVIKHJUCLM-INIZCTEOSA-N	-2	1	363.301	1.954	20	5		FDBDML
O=C([O-])CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000261829401	178628673	/nfs/dbraw/zinc/62/86/73/178628673.db2.gz	JDLCEBYEDCQJCR-UHFFFAOYSA-N	-2	1	367.177	1.500	20	5		FDBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccn1	ZINC000548536166	542694077	/nfs/dbraw/zinc/69/40/77/542694077.db2.gz	VVBBKDSTBZRLFI-VIFPVBQESA-N	-2	1	371.396	1.273	20	5		FDBDML
CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000025369169	519058608	/nfs/dbraw/zinc/05/86/08/519058608.db2.gz	WSMRLJOTFAZKQZ-UHFFFAOYSA-N	-2	1	365.367	1.803	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000570375152	549256341	/nfs/dbraw/zinc/25/63/41/549256341.db2.gz	AZUYGCDFIUNFPA-GHMZBOCLSA-N	-2	1	374.419	1.513	20	5		FDBDML
COC(=O)c1cc(C)nc([N-]c2cnn(C(C)(C)C(=O)[O-])c2)c1[N+](=O)[O-]	ZINC000595977390	552640655	/nfs/dbraw/zinc/64/06/55/552640655.db2.gz	GFPLLOYCCLSEGV-UHFFFAOYSA-N	-2	1	363.330	1.845	20	5		FDBDML
Cc1cccc([C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)[O-])c1C	ZINC000600653863	553291883	/nfs/dbraw/zinc/29/18/83/553291883.db2.gz	PGTMZHKFHWFWJZ-LBPRGKRZSA-N	-2	1	368.371	1.049	20	5		FDBDML
O=C([O-])CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000611164726	554610915	/nfs/dbraw/zinc/61/09/15/554610915.db2.gz	JNKJLOASLAULSK-UHFFFAOYSA-N	-2	1	353.150	1.110	20	5		FDBDML
COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000831585761	601267031	/nfs/dbraw/zinc/26/70/31/601267031.db2.gz	PICFLXYBSKFWRK-GFCCVEGCSA-N	-2	1	366.779	1.406	20	5		FDBDML
CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000738752010	602317162	/nfs/dbraw/zinc/31/71/62/602317162.db2.gz	HZZDIDRMUTUBAQ-UHFFFAOYSA-N	-2	1	351.768	1.573	20	5		FDBDML
O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000740522052	602592624	/nfs/dbraw/zinc/59/26/24/602592624.db2.gz	YEPVJPVQESGJJL-SECBINFHSA-N	-2	1	363.779	1.669	20	5		FDBDML
O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000739925657	603240462	/nfs/dbraw/zinc/24/04/62/603240462.db2.gz	CTPGBWLREMKOFF-MRVPVSSYSA-N	-2	1	363.779	1.669	20	5		FDBDML
O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000834151648	605808564	/nfs/dbraw/zinc/80/85/64/605808564.db2.gz	VARUTCWJCRKFBT-VIFPVBQESA-N	-2	1	363.779	1.573	20	5		FDBDML
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000436806218	681731234	/nfs/dbraw/zinc/73/12/34/681731234.db2.gz	HHVDQWJMLZPXLC-UHFFFAOYSA-N	-2	1	367.339	1.166	20	5		FDBDML
Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(=O)[O-])c1	ZINC001594399722	958836009	/nfs/dbraw/zinc/83/60/09/958836009.db2.gz	SCHOXUURHBPXFY-GFCCVEGCSA-N	-2	1	351.340	1.402	20	5		FDBDML
Cn1nccc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001574472247	961603841	/nfs/dbraw/zinc/60/38/41/961603841.db2.gz	KIEWAIMEHPSEEZ-LLVKDONJSA-N	-2	1	374.762	1.086	20	5		FDBDML
Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001176676482	963509020	/nfs/dbraw/zinc/50/90/20/963509020.db2.gz	GHOFPMIIVOINMW-UHFFFAOYSA-N	-2	1	351.340	1.984	20	5		FDBDML
O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000853068621	967800120	/nfs/dbraw/zinc/80/01/20/967800120.db2.gz	CGHQVLZUSRMCPT-ZETCQYMHSA-N	-2	1	364.738	1.839	20	5		FDBDML
CC(C)OC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000863417510	972894494	/nfs/dbraw/zinc/89/44/94/972894494.db2.gz	XAJHFRIWWSCKDF-VIFPVBQESA-N	-2	1	366.779	1.405	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@@H](CC2CCCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000776554783	979224955	/nfs/dbraw/zinc/22/49/55/979224955.db2.gz	JOVSNQUVGQNGQM-LLVKDONJSA-N	-2	1	374.419	1.371	20	5		FDBDML
C[C@](CO)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC001592756005	979335175	/nfs/dbraw/zinc/33/51/75/979335175.db2.gz	RMSUPOIHQNXAHC-SNVBAGLBSA-N	-2	1	373.170	1.016	20	5		FDBDML
C[C@](NC(=O)C(=O)c1ccc([O-])cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001592990333	980178862	/nfs/dbraw/zinc/17/88/62/980178862.db2.gz	ALZRMBMOQSJPDF-QGZVFWFLSA-N	-2	1	358.306	1.599	20	5		FDBDML
C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1CCC(=O)[O-]	ZINC001594490082	985597015	/nfs/dbraw/zinc/59/70/15/985597015.db2.gz	VCNAMCCYNAAQAS-VIFPVBQESA-N	-2	1	371.777	1.575	20	5		FDBDML
COc1cc(C=C2SC(=O)[N-]C2=O)c([N+](=O)[O-])cc1OCC(=O)[O-]	ZINC000874926922	990628596	/nfs/dbraw/zinc/62/85/96/990628596.db2.gz	BJCBUQLXUWGZMY-KMKOMSMNSA-N	-2	1	354.296	1.391	20	5		FDBDML
Cc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000468127301	993459080	/nfs/dbraw/zinc/45/90/80/993459080.db2.gz	AOAZZERTZHGXJE-UHFFFAOYSA-N	-2	1	369.337	1.625	20	5		FDBDML
O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275191490	181257685	/nfs/dbraw/zinc/25/76/85/181257685.db2.gz	FOWWUXYDCIINBD-ZCFIWIBFSA-N	-2	1	358.706	1.635	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548260997	542603723	/nfs/dbraw/zinc/60/37/23/542603723.db2.gz	ZTEJXRMQYNFPCI-UWVGGRQHSA-N	-2	1	362.408	1.369	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2)c([N+](=O)[O-])n1	ZINC000548527960	542691376	/nfs/dbraw/zinc/69/13/76/542691376.db2.gz	QBHHNQSXRSNKHR-GFCCVEGCSA-N	-2	1	368.371	1.224	20	5		FDBDML
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000270498034	674219238	/nfs/dbraw/zinc/21/92/38/674219238.db2.gz	NHCQROHIBWFKAR-ZCFIWIBFSA-N	-2	1	367.177	1.499	20	5		FDBDML
Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])n1	ZINC000567896225	548314706	/nfs/dbraw/zinc/31/47/06/548314706.db2.gz	SRXQRSXKZZUKGQ-LURJTMIESA-N	-2	1	356.316	1.024	20	5		FDBDML
C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1	ZINC000600654614	553292319	/nfs/dbraw/zinc/29/23/19/553292319.db2.gz	BJZNSEBEDKAJNY-BXKDBHETSA-N	-2	1	368.371	1.069	20	5		FDBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1	ZINC000614351967	555041547	/nfs/dbraw/zinc/04/15/47/555041547.db2.gz	SRKUKIODBCDCQN-NSHDSACASA-N	-2	1	370.408	1.878	20	5		FDBDML
O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1	ZINC000833222567	600741550	/nfs/dbraw/zinc/74/15/50/600741550.db2.gz	UJGHLCDSALMNDZ-GFCCVEGCSA-N	-2	1	365.367	1.874	20	5		FDBDML
COc1ncc([N+](=O)[O-])c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1	ZINC001167932943	810919562	/nfs/dbraw/zinc/91/95/62/810919562.db2.gz	BNYKEANQHCNWIT-UHFFFAOYSA-N	-2	1	366.270	1.478	20	5		FDBDML
Cc1nc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000776631083	967723175	/nfs/dbraw/zinc/72/31/75/967723175.db2.gz	FIHCQYSKLKJTAL-UHFFFAOYSA-N	-2	1	369.330	1.614	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])n1	ZINC001597898091	989765137	/nfs/dbraw/zinc/76/51/37/989765137.db2.gz	DNUSGUJJKVCBIR-LLVKDONJSA-N	-2	1	374.419	1.371	20	5		FDBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1	ZINC000518288427	539405470	/nfs/dbraw/zinc/40/54/70/539405470.db2.gz	KQTZJCXQNACZBT-UHFFFAOYSA-N	-2	1	361.336	1.209	20	5		FDBDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000547869100	542469313	/nfs/dbraw/zinc/46/93/13/542469313.db2.gz	OCLQYULEJGQEII-UHFFFAOYSA-N	-3	1	366.307	1.792	20	5		FDBDML
CCOC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000290646765	537379923	/nfs/dbraw/zinc/37/99/23/537379923.db2.gz	MMZOHPPJRZZJDO-QMMMGPOBSA-N	-2	1	352.752	1.016	20	5		FDBDML
CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])on1	ZINC000593311129	552087144	/nfs/dbraw/zinc/08/71/44/552087144.db2.gz	RJSAHHIKZJBEAO-UHFFFAOYSA-N	-2	1	369.355	1.883	20	5		FDBDML
Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000610732863	554555776	/nfs/dbraw/zinc/55/57/76/554555776.db2.gz	KAAYERUCPPDCJZ-UHFFFAOYSA-N	-2	1	357.369	1.570	20	5		FDBDML
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000739040055	601990931	/nfs/dbraw/zinc/99/09/31/601990931.db2.gz	QBUWYQUCYJSLFS-IUCAKERBSA-N	-2	1	363.417	1.713	20	5		FDBDML
O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000833188305	601992030	/nfs/dbraw/zinc/99/20/30/601992030.db2.gz	WMINMNVSAHAJSH-QWRGUYRKSA-N	-2	1	357.388	1.692	20	5		FDBDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000471120595	602111326	/nfs/dbraw/zinc/11/13/26/602111326.db2.gz	LCHMOGYZEDTJTE-UHFFFAOYSA-N	-3	1	366.307	1.792	20	5		FDBDML
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C(=O)[O-])[nH]1	ZINC000832899731	602114737	/nfs/dbraw/zinc/11/47/37/602114737.db2.gz	POZVBPXVVLOTOX-UHFFFAOYSA-N	-2	1	369.311	1.429	20	5		FDBDML
CCCC[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000826816049	603922575	/nfs/dbraw/zinc/92/25/75/603922575.db2.gz	XRKWTVOTNVTABM-QMMMGPOBSA-N	-2	1	351.406	1.761	20	5		FDBDML
C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776451959	604410197	/nfs/dbraw/zinc/41/01/97/604410197.db2.gz	WMWZXCRAIIWHQO-LURJTMIESA-N	-2	1	367.177	1.356	20	5		FDBDML
Cc1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000320356767	676560130	/nfs/dbraw/zinc/56/01/30/676560130.db2.gz	AZRVCPCRUSVKER-UHFFFAOYSA-N	-2	1	357.369	1.536	20	5		FDBDML
O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N-]S(=O)(=O)C(F)F	ZINC000817420638	942772771	/nfs/dbraw/zinc/77/27/71/942772771.db2.gz	ZRYKYVOINSWGIH-SNVBAGLBSA-N	-2	1	363.298	1.214	20	5		FDBDML
Cn1cc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000776495473	978706589	/nfs/dbraw/zinc/70/65/89/978706589.db2.gz	FAMQHWKSNVJHMX-NSHDSACASA-N	-2	1	374.762	1.086	20	5		FDBDML
CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275012641	181217420	/nfs/dbraw/zinc/21/74/20/181217420.db2.gz	NNNBJHKNAUCPRP-QMMMGPOBSA-N	-2	1	350.780	1.883	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548224075	542591557	/nfs/dbraw/zinc/59/15/57/542591557.db2.gz	XMWVYAQQCAIZJN-GXFFZTMASA-N	-2	1	360.392	1.123	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2)c([N+](=O)[O-])n1	ZINC000548527961	542691026	/nfs/dbraw/zinc/69/10/26/542691026.db2.gz	QBHHNQSXRSNKHR-LBPRGKRZSA-N	-2	1	368.371	1.224	20	5		FDBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1	ZINC000477336479	538634050	/nfs/dbraw/zinc/63/40/50/538634050.db2.gz	AXUHVYNNEBMOTN-UHFFFAOYSA-N	-2	1	366.307	1.823	20	5		FDBDML
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1	ZINC000737557112	600541257	/nfs/dbraw/zinc/54/12/57/600541257.db2.gz	GIHWFHBALCJSDX-UHFFFAOYSA-N	-2	1	369.311	1.046	20	5		FDBDML
COC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000831632552	601804897	/nfs/dbraw/zinc/80/48/97/601804897.db2.gz	WZKQVSCPWUOJIE-NSHDSACASA-N	-2	1	352.752	1.016	20	5		FDBDML
O=C([O-])c1ccccc1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000833111179	604265952	/nfs/dbraw/zinc/26/59/52/604265952.db2.gz	HRVDXENWFRSJIR-UHFFFAOYSA-N	-2	1	360.278	1.794	20	5		FDBDML
Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000822327220	607154155	/nfs/dbraw/zinc/15/41/55/607154155.db2.gz	DERHNLSNDMRBFB-UHFFFAOYSA-N	-2	1	360.355	1.884	20	5		FDBDML
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC001574784607	957788135	/nfs/dbraw/zinc/78/81/35/957788135.db2.gz	PVWSZSIUOXSAHT-OLQVQODUSA-N	-2	1	352.727	1.529	20	5		FDBDML
CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC001595169602	979729805	/nfs/dbraw/zinc/72/98/05/979729805.db2.gz	AUFWLDBLXRXWAL-LURJTMIESA-N	-2	1	354.743	1.776	20	5		FDBDML
CCn1cc(S(=O)(=O)[N-]CCCCC2(C(=O)[O-])CCC2)c([N+](=O)[O-])n1	ZINC001597898336	989766749	/nfs/dbraw/zinc/76/67/49/989766749.db2.gz	WQMIHMIMPHUALG-UHFFFAOYSA-N	-2	1	374.419	1.515	20	5		FDBDML
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ncc(C(=O)[O-])s1	ZINC001593339896	994937333	/nfs/dbraw/zinc/93/73/33/994937333.db2.gz	WOMCERQNVKXQAV-RXMQYKEDSA-N	-2	1	363.398	1.851	20	5		FDBDML
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H](c2nn[n-]n2)C1	ZINC000567959882	548337733	/nfs/dbraw/zinc/33/77/33/548337733.db2.gz	LZODSDJQTGXKOP-ZETCQYMHSA-N	-2	1	352.738	1.487	20	5		FDBDML
Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])n1	ZINC000574986501	550404701	/nfs/dbraw/zinc/40/47/01/550404701.db2.gz	NHABKCIJAIIQBY-LURJTMIESA-N	-2	1	356.316	1.024	20	5		FDBDML
COC1(C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])CCC1	ZINC000593275593	552081085	/nfs/dbraw/zinc/08/10/85/552081085.db2.gz	FHNNAJCFSGHSBN-MRVPVSSYSA-N	-2	1	364.401	1.347	20	5		FDBDML
O=C([O-])[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1cccc(F)c1	ZINC000739410096	599984950	/nfs/dbraw/zinc/98/49/50/599984950.db2.gz	YKOUUNQFWCOULB-SNVBAGLBSA-N	-2	1	363.301	1.508	20	5		FDBDML
Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000739202576	600094981	/nfs/dbraw/zinc/09/49/81/600094981.db2.gz	HGRXEMHXPPWQTJ-UHFFFAOYSA-N	-2	1	355.303	1.815	20	5		FDBDML
C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)[O-]	ZINC000738909167	601985600	/nfs/dbraw/zinc/98/56/00/601985600.db2.gz	ZTLVFWTZEKPKCA-ZETCQYMHSA-N	-2	1	351.768	1.573	20	5		FDBDML
CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000738752737	602316979	/nfs/dbraw/zinc/31/69/79/602316979.db2.gz	PCZBTKYAYVTFGA-UHFFFAOYSA-N	-2	1	351.768	1.573	20	5		FDBDML
CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000738811840	602566971	/nfs/dbraw/zinc/56/69/71/602566971.db2.gz	OGAYRAVSAFWKLJ-QMMMGPOBSA-N	-2	1	351.406	1.617	20	5		FDBDML
O=C([O-])N[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000834151646	605808540	/nfs/dbraw/zinc/80/85/40/605808540.db2.gz	VARUTCWJCRKFBT-SECBINFHSA-N	-2	1	363.779	1.573	20	5		FDBDML