smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@](CCF)([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001592506864	978322507	/nfs/dbraw/zinc/32/25/07/978322507.db2.gz	GTBXNYSMXUOGAQ-NSHDSACASA-N	-2	1	399.194	1.839	20	5		GDBDML
CCOC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000290465174	531233973	/nfs/dbraw/zinc/23/39/73/531233973.db2.gz	DVCYUKUEGDGSOA-QMMMGPOBSA-N	-2	1	397.203	1.125	20	5		GDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000833169538	601389458	/nfs/dbraw/zinc/38/94/58/601389458.db2.gz	SVQXABXLGAHUCI-JTQLQIEISA-N	-2	1	379.188	1.499	20	5		GDBDML
CC(C)(C)n1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000819971533	606605907	/nfs/dbraw/zinc/60/59/07/606605907.db2.gz	NUVVUEXGZWZGLR-UHFFFAOYSA-N	-2	1	392.401	1.527	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1-c1nnn[n-]1	ZINC000823648610	607156210	/nfs/dbraw/zinc/15/62/10/607156210.db2.gz	YQAHHLZJUDTIMS-UHFFFAOYSA-N	-2	1	396.772	1.935	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1-c1nn[n-]n1	ZINC000823648610	607156211	/nfs/dbraw/zinc/15/62/11/607156211.db2.gz	YQAHHLZJUDTIMS-UHFFFAOYSA-N	-2	1	396.772	1.935	20	5		GDBDML
CO[C@H](C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000594573433	652317153	/nfs/dbraw/zinc/31/71/53/652317153.db2.gz	OHRNDLXVHQCUMF-CMPLNLGQSA-N	-2	1	392.817	1.795	20	5		GDBDML
O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776535927	654693675	/nfs/dbraw/zinc/69/36/75/654693675.db2.gz	BLLGVSXUEIMAGL-WCBMZHEXSA-N	-2	1	378.790	1.406	20	5		GDBDML
CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837287473	655174027	/nfs/dbraw/zinc/17/40/27/655174027.db2.gz	FEAQQMMEVTWFGS-VIFPVBQESA-N	-2	1	382.753	1.488	20	5		GDBDML
CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000841774866	655353104	/nfs/dbraw/zinc/35/31/04/655353104.db2.gz	WRTJRFUHJUTDKM-SNVBAGLBSA-N	-2	1	399.194	1.884	20	5		GDBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000432181640	974092352	/nfs/dbraw/zinc/09/23/52/974092352.db2.gz	DNSBPPNQRMORNA-UHFFFAOYSA-N	-3	1	384.297	1.931	20	5		GDBDML
CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000548225939	531505145	/nfs/dbraw/zinc/50/51/45/531505145.db2.gz	RFYRBKYKMVIVLD-ZETCQYMHSA-N	-2	1	380.400	1.120	20	5		GDBDML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C(N)=O	ZINC000832468778	600690893	/nfs/dbraw/zinc/69/08/93/600690893.db2.gz	OOABYDXALIXGKB-UHFFFAOYSA-N	-2	1	395.349	1.201	20	5		GDBDML
O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000471122033	601986866	/nfs/dbraw/zinc/98/68/66/601986866.db2.gz	VLHIBYWQDSFDLC-UHFFFAOYSA-N	-2	1	380.334	1.721	20	5		GDBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC000533170032	602321893	/nfs/dbraw/zinc/32/18/93/602321893.db2.gz	PZIGHKUOLMAAII-UHFFFAOYSA-N	-2	1	384.297	1.931	20	5		GDBDML
CCN(CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000739433881	602552073	/nfs/dbraw/zinc/55/20/73/602552073.db2.gz	IKKMLPCLYWPMGB-UHFFFAOYSA-N	-2	1	396.219	1.636	20	5		GDBDML
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000739214074	603154693	/nfs/dbraw/zinc/15/46/93/603154693.db2.gz	YDQGNABKYKVHLR-PSASIEDQSA-N	-2	1	391.377	1.516	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c([N+](=O)[O-])n1	ZINC000547876596	604507366	/nfs/dbraw/zinc/50/73/66/604507366.db2.gz	DUFZFDAWJZRWLX-GFCCVEGCSA-N	-2	1	382.398	1.696	20	5		GDBDML
CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000819971646	606706697	/nfs/dbraw/zinc/70/66/97/606706697.db2.gz	PRFWYRQWSGOWSO-UHFFFAOYSA-N	-2	1	392.401	1.527	20	5		GDBDML
CC(C)(C)n1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000819971646	606706698	/nfs/dbraw/zinc/70/66/98/606706698.db2.gz	PRFWYRQWSGOWSO-UHFFFAOYSA-N	-2	1	392.401	1.527	20	5		GDBDML
Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1S(C)(=O)=O	ZINC000498511116	648060641	/nfs/dbraw/zinc/06/06/41/648060641.db2.gz	RKUISIHWAMYXOB-UHFFFAOYSA-N	-2	1	386.407	1.813	20	5		GDBDML
O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1	ZINC000798410554	655265579	/nfs/dbraw/zinc/26/55/79/655265579.db2.gz	AMAIFNXBBCOVQU-UHFFFAOYSA-N	-2	1	385.785	1.862	20	5		GDBDML
COC1(C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])CCC1	ZINC000844827079	655417686	/nfs/dbraw/zinc/41/76/86/655417686.db2.gz	XPWKTMDCAXGAQL-JTQLQIEISA-N	-2	1	392.817	1.939	20	5		GDBDML
CC[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001589554412	948774244	/nfs/dbraw/zinc/77/42/44/948774244.db2.gz	HODSLHACDVDWLA-ZCFIWIBFSA-N	-2	1	399.194	1.886	20	5		GDBDML
O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000549549100	531522950	/nfs/dbraw/zinc/52/29/50/531522950.db2.gz	MOBOYASQUJTRMB-GWCFXTLKSA-N	-2	1	392.455	1.719	20	5		GDBDML
O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000274973430	532249467	/nfs/dbraw/zinc/24/94/67/532249467.db2.gz	IXDXSCDDGUCMCH-VXNVDRBHSA-N	-2	1	391.199	1.665	20	5		GDBDML
C[C@](CNC(=O)[O-])([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000738922153	602707909	/nfs/dbraw/zinc/70/79/09/602707909.db2.gz	BHVYMORWWCGVTA-CYBMUJFWSA-N	-2	1	377.806	1.963	20	5		GDBDML
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cc1C	ZINC000822213006	607026035	/nfs/dbraw/zinc/02/60/35/607026035.db2.gz	QKYORQRANNIJHS-UHFFFAOYSA-N	-2	1	381.399	1.649	20	5		GDBDML
Cc1onc(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1-c1nnn[n-]1	ZINC000826348392	609471146	/nfs/dbraw/zinc/47/11/46/609471146.db2.gz	JZGYNKBRSYTZLL-UHFFFAOYSA-N	-2	1	379.720	1.612	20	5		GDBDML
Cc1onc(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1-c1nn[n-]n1	ZINC000826348392	609471149	/nfs/dbraw/zinc/47/11/49/609471149.db2.gz	JZGYNKBRSYTZLL-UHFFFAOYSA-N	-2	1	379.720	1.612	20	5		GDBDML
CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768866896	654438583	/nfs/dbraw/zinc/43/85/83/654438583.db2.gz	UTWNIRHONPWVTK-UHFFFAOYSA-N	-2	1	377.425	1.829	20	5		GDBDML
C[C@H](CSCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000843294907	655391411	/nfs/dbraw/zinc/39/14/11/655391411.db2.gz	HXSTWABSRQVROX-MRVPVSSYSA-N	-2	1	382.847	1.980	20	5		GDBDML
C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000844822892	655417368	/nfs/dbraw/zinc/41/73/68/655417368.db2.gz	XBTZKELLJMNDCQ-ZETCQYMHSA-N	-2	1	393.215	1.889	20	5		GDBDML
O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000853070626	655631471	/nfs/dbraw/zinc/63/14/71/655631471.db2.gz	YZYKITUMYZOKJG-SECBINFHSA-N	-2	1	391.199	1.809	20	5		GDBDML
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc([N+](=O)[O-])c1	ZINC000852738474	955849020	/nfs/dbraw/zinc/84/90/20/955849020.db2.gz	ZLEJYZJNDMGDFN-NEPJUHHUSA-N	-2	1	375.303	1.691	20	5		GDBDML
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC001326116883	961074546	/nfs/dbraw/zinc/07/45/46/961074546.db2.gz	UPTXMIAFYOAYEK-RXMQYKEDSA-N	-2	1	385.167	1.638	20	5		GDBDML
C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000283806869	531898606	/nfs/dbraw/zinc/89/86/06/531898606.db2.gz	CIDDXBSPDJAPNM-KCJUWKMLSA-N	-2	1	378.378	1.669	20	5		GDBDML
O=C([O-])CSCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000274958098	532246732	/nfs/dbraw/zinc/24/67/32/532246732.db2.gz	HHAGPYIHXQNMLR-UHFFFAOYSA-N	-2	1	399.244	1.453	20	5		GDBDML
COC[C@@](C)([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000831632632	601803890	/nfs/dbraw/zinc/80/38/90/601803890.db2.gz	ZEQOZJNCOSWAEY-LLVKDONJSA-N	-2	1	397.203	1.125	20	5		GDBDML
O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000740514321	601988621	/nfs/dbraw/zinc/98/86/21/601988621.db2.gz	ZNPBHROWGOWURV-SECBINFHSA-N	-2	1	377.806	1.917	20	5		GDBDML
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-]	ZINC000822211908	606178842	/nfs/dbraw/zinc/17/88/42/606178842.db2.gz	SSZKVSFLXCVPSI-UHFFFAOYSA-N	-2	1	394.394	1.264	20	5		GDBDML
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-]	ZINC000822211908	606178844	/nfs/dbraw/zinc/17/88/44/606178844.db2.gz	SSZKVSFLXCVPSI-UHFFFAOYSA-N	-2	1	394.394	1.264	20	5		GDBDML
COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821711817	607155363	/nfs/dbraw/zinc/15/53/63/607155363.db2.gz	AMYUDWHRMLLFEG-UHFFFAOYSA-N	-2	1	390.381	1.893	20	5		GDBDML
COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821711817	607155364	/nfs/dbraw/zinc/15/53/64/607155364.db2.gz	AMYUDWHRMLLFEG-UHFFFAOYSA-N	-2	1	390.381	1.893	20	5		GDBDML
COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1O	ZINC000826217395	609423373	/nfs/dbraw/zinc/42/33/73/609423373.db2.gz	KRFJOKIBMJCTKZ-UHFFFAOYSA-N	-2	1	392.353	1.290	20	5		GDBDML
COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1O	ZINC000826217395	609423376	/nfs/dbraw/zinc/42/33/76/609423376.db2.gz	KRFJOKIBMJCTKZ-UHFFFAOYSA-N	-2	1	392.353	1.290	20	5		GDBDML
O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548202630	650534542	/nfs/dbraw/zinc/53/45/42/650534542.db2.gz	KKXOMXSNJTYNLC-SCZZXKLOSA-N	-2	1	378.790	1.406	20	5		GDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCC1	ZINC000614358627	652959868	/nfs/dbraw/zinc/95/98/68/652959868.db2.gz	ABHVIGHAOLNUJI-LLVKDONJSA-N	-2	1	393.215	1.889	20	5		GDBDML
CCOC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000812448840	655214365	/nfs/dbraw/zinc/21/43/65/655214365.db2.gz	DVCYUKUEGDGSOA-MRVPVSSYSA-N	-2	1	397.203	1.125	20	5		GDBDML
CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000848683965	655499366	/nfs/dbraw/zinc/49/93/66/655499366.db2.gz	ZVNLWRKLWJRBCR-MNOVXSKESA-N	-2	1	376.362	1.281	20	5		GDBDML
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccccc1[N+](=O)[O-]	ZINC000852737535	969291688	/nfs/dbraw/zinc/29/16/88/969291688.db2.gz	TZYUZJSMCQHQOO-JQWIXIFHSA-N	-2	1	375.303	1.691	20	5		GDBDML
O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000549549104	531522572	/nfs/dbraw/zinc/52/25/72/531522572.db2.gz	MOBOYASQUJTRMB-MFKMUULPSA-N	-2	1	392.455	1.719	20	5		GDBDML
O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1	ZINC000282967634	531815893	/nfs/dbraw/zinc/81/58/93/531815893.db2.gz	WLGKUZZVTRIPHX-UHFFFAOYSA-N	-2	1	379.188	1.643	20	5		GDBDML
Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000327007369	532079544	/nfs/dbraw/zinc/07/95/44/532079544.db2.gz	LNTRJTDORLVYAH-UHFFFAOYSA-N	-2	1	387.395	1.057	20	5		GDBDML
COc1cc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)c([N+](=O)[O-])cc1OC(F)F	ZINC000737848376	600536912	/nfs/dbraw/zinc/53/69/12/600536912.db2.gz	FFADHLFFXCGUEK-UHFFFAOYSA-N	-2	1	387.255	1.202	20	5		GDBDML
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1	ZINC000831327776	600689634	/nfs/dbraw/zinc/68/96/34/600689634.db2.gz	OULLTLGYDNICEA-UHFFFAOYSA-N	-2	1	396.333	1.586	20	5		GDBDML
O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000432173185	601987470	/nfs/dbraw/zinc/98/74/70/601987470.db2.gz	CKLHJYNPRRZSSX-UHFFFAOYSA-N	-3	1	380.334	1.721	20	5		GDBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c([N+](=O)[O-])c1	ZINC000833323311	602308401	/nfs/dbraw/zinc/30/84/01/602308401.db2.gz	BFZWIOYTXPRGJL-UHFFFAOYSA-N	-2	1	396.381	1.711	20	5		GDBDML
O=C([O-])Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c([O-])c1	ZINC000740696962	602847106	/nfs/dbraw/zinc/84/71/06/602847106.db2.gz	DCILWWCRHNJSFM-UHFFFAOYSA-N	-2	1	387.352	1.748	20	5		GDBDML
CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)n[nH]1	ZINC000819958065	606787784	/nfs/dbraw/zinc/78/77/84/606787784.db2.gz	HLRVJYQAKLUKPQ-UHFFFAOYSA-N	-2	1	392.401	1.596	20	5		GDBDML
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(C)c1O	ZINC000822259190	607154275	/nfs/dbraw/zinc/15/42/75/607154275.db2.gz	OXAUREIQEWGYLZ-UHFFFAOYSA-N	-2	1	390.381	1.898	20	5		GDBDML
CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c([N+](=O)[O-])c1	ZINC000825643728	609160726	/nfs/dbraw/zinc/16/07/26/609160726.db2.gz	SKUQUQJNAPCALD-UHFFFAOYSA-N	-2	1	391.369	1.369	20	5		GDBDML
CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c([N+](=O)[O-])c1	ZINC000825643728	609160728	/nfs/dbraw/zinc/16/07/28/609160728.db2.gz	SKUQUQJNAPCALD-UHFFFAOYSA-N	-2	1	391.369	1.369	20	5		GDBDML
O=C([O-])COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000547915680	650522262	/nfs/dbraw/zinc/52/22/62/650522262.db2.gz	GZSVOQXXKUGCLU-UHFFFAOYSA-N	-2	1	386.407	1.641	20	5		GDBDML
C[C@@H](CSCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000843294908	655391462	/nfs/dbraw/zinc/39/14/62/655391462.db2.gz	HXSTWABSRQVROX-QMMMGPOBSA-N	-2	1	382.847	1.980	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])n1	ZINC000560888877	953587605	/nfs/dbraw/zinc/58/76/05/953587605.db2.gz	MECSKLJDGNZATJ-NEPJUHHUSA-N	-2	1	380.382	1.403	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])n1	ZINC000560888880	953587838	/nfs/dbraw/zinc/58/78/38/953587838.db2.gz	MECSKLJDGNZATJ-VXGBXAGGSA-N	-2	1	380.382	1.403	20	5		GDBDML
Cn1nccc1[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC001594592392	956061320	/nfs/dbraw/zinc/06/13/20/956061320.db2.gz	FQTVNSNBYJJDKM-NSHDSACASA-N	-2	1	392.752	1.225	20	5		GDBDML
CCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000262636834	531125784	/nfs/dbraw/zinc/12/57/84/531125784.db2.gz	GLKFDAYRDUQZPW-MRVPVSSYSA-N	-2	1	381.204	1.889	20	5		GDBDML
CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000290932718	531266413	/nfs/dbraw/zinc/26/64/13/531266413.db2.gz	JKAPFWZBOILWKX-MRVPVSSYSA-N	-2	1	397.203	1.125	20	5		GDBDML
O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1	ZINC000740168793	599940335	/nfs/dbraw/zinc/94/03/35/599940335.db2.gz	WXOSQNIUNSYHIT-UHFFFAOYSA-N	-2	1	384.341	1.789	20	5		GDBDML
COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000821872175	607154217	/nfs/dbraw/zinc/15/42/17/607154217.db2.gz	JWUHMXFVZSSRDQ-UHFFFAOYSA-N	-2	1	376.354	1.584	20	5		GDBDML
COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000821872175	607154218	/nfs/dbraw/zinc/15/42/18/607154218.db2.gz	JWUHMXFVZSSRDQ-UHFFFAOYSA-N	-2	1	376.354	1.584	20	5		GDBDML
CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)(C(=O)[O-])C1(C)C	ZINC000547700632	650512406	/nfs/dbraw/zinc/51/24/06/650512406.db2.gz	BCFPQPIUOWPPLR-SDBXPKJASA-N	-2	1	378.428	1.593	20	5		GDBDML
Cc1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)sc1C(=O)[O-]	ZINC000548205080	650535206	/nfs/dbraw/zinc/53/52/06/650535206.db2.gz	DMFGPQUFPHIQDH-UHFFFAOYSA-N	-2	1	377.425	1.640	20	5		GDBDML
CC(C)(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000787932477	654976362	/nfs/dbraw/zinc/97/63/62/654976362.db2.gz	RFYRBKYKMVIVLD-SSDOTTSWSA-N	-2	1	380.400	1.120	20	5		GDBDML
Cc1c(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000852734771	955843096	/nfs/dbraw/zinc/84/30/96/955843096.db2.gz	CZQNDLXOSWJMQN-YPMHNXCESA-N	-2	1	389.330	1.999	20	5		GDBDML
O=C([O-])CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1	ZINC000739710182	978651686	/nfs/dbraw/zinc/65/16/86/978651686.db2.gz	BRWNVOZPBROGSO-UHFFFAOYSA-N	-2	1	394.365	1.877	20	5		GDBDML
CC[C@@](COC)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001595199521	979940795	/nfs/dbraw/zinc/94/07/95/979940795.db2.gz	JELHGHSXMQZGSB-LBPRGKRZSA-N	-2	1	384.769	1.545	20	5		GDBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1	ZINC000492076428	531560451	/nfs/dbraw/zinc/56/04/51/531560451.db2.gz	YLFGIYHJKGKNHE-UHFFFAOYSA-N	-2	1	377.791	1.724	20	5		GDBDML
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000740054407	600689251	/nfs/dbraw/zinc/68/92/51/600689251.db2.gz	XITHNHSNEZGTLH-CYBMUJFWSA-N	-2	1	390.377	1.445	20	5		GDBDML
O=C([O-])N1CCC[C@@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000740505998	602650816	/nfs/dbraw/zinc/65/08/16/602650816.db2.gz	BZDKSXSESRJSIK-JTQLQIEISA-N	-2	1	375.378	1.792	20	5		GDBDML
O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000832482684	603132138	/nfs/dbraw/zinc/13/21/38/603132138.db2.gz	PAURWRUMIQUHMZ-WPRPVWTQSA-N	-2	1	377.806	1.963	20	5		GDBDML
O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1	ZINC000776523199	654692492	/nfs/dbraw/zinc/69/24/92/654692492.db2.gz	JZUGRLLDIBXXKK-UHFFFAOYSA-N	-2	1	389.386	1.339	20	5		GDBDML
Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000776645371	654702137	/nfs/dbraw/zinc/70/21/37/654702137.db2.gz	SXTKLUZMVKGTAX-JTQLQIEISA-N	-2	1	388.789	1.185	20	5		GDBDML
O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000806640852	655070812	/nfs/dbraw/zinc/07/08/12/655070812.db2.gz	ZUNNIWVRIBWTHN-SECBINFHSA-N	-2	1	393.215	1.889	20	5		GDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000837286057	655173776	/nfs/dbraw/zinc/17/37/76/655173776.db2.gz	DWHKAIWBULKQCH-KSBSHMNSSA-N	-2	1	382.753	1.155	20	5		GDBDML
O=C([O-])[C@@]1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOC1	ZINC000849231400	655520898	/nfs/dbraw/zinc/52/08/98/655520898.db2.gz	CYBOWAQMJSPXOZ-LLVKDONJSA-N	-2	1	385.181	1.424	20	5		GDBDML
O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000274973424	532248645	/nfs/dbraw/zinc/24/86/45/532248645.db2.gz	IXDXSCDDGUCMCH-APPZFPTMSA-N	-2	1	391.199	1.665	20	5		GDBDML
CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc21	ZINC000484547238	600690565	/nfs/dbraw/zinc/69/05/65/600690565.db2.gz	ZPLCZKFRUYKQTQ-UHFFFAOYSA-N	-2	1	391.361	1.613	20	5		GDBDML
O=C([O-])COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000833262258	602114029	/nfs/dbraw/zinc/11/40/29/602114029.db2.gz	RTGQKQXEUTZIHC-UHFFFAOYSA-N	-2	1	396.333	1.557	20	5		GDBDML
O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000740497989	602456385	/nfs/dbraw/zinc/45/63/85/602456385.db2.gz	PSNFQJRGJGQDSX-VIFPVBQESA-N	-2	1	377.806	1.917	20	5		GDBDML
O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000832481065	603131890	/nfs/dbraw/zinc/13/18/90/603131890.db2.gz	DPYDMYGOFMSLDH-WPRPVWTQSA-N	-2	1	377.806	1.963	20	5		GDBDML
CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000616035298	652967301	/nfs/dbraw/zinc/96/73/01/652967301.db2.gz	MEUHITLVQSMVEV-MRVPVSSYSA-N	-2	1	397.203	1.125	20	5		GDBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1	ZINC000732575807	654476749	/nfs/dbraw/zinc/47/67/49/654476749.db2.gz	MWQVLBAECHBKGE-UHFFFAOYSA-N	-2	1	377.791	1.724	20	5		GDBDML
C[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000846768686	655460696	/nfs/dbraw/zinc/46/06/96/655460696.db2.gz	CLKBDUYMSSLFTI-YFKPBYRVSA-N	-2	1	385.167	1.495	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])n1	ZINC000560888878	953587128	/nfs/dbraw/zinc/58/71/28/953587128.db2.gz	MECSKLJDGNZATJ-NWDGAFQWSA-N	-2	1	380.382	1.403	20	5		GDBDML
CC(C)([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001590879347	990792533	/nfs/dbraw/zinc/79/25/33/990792533.db2.gz	YRJLZLBJJCQENW-UHFFFAOYSA-N	-2	1	385.167	1.638	20	5		GDBDML
CC[C@](C)([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000736864734	599983078	/nfs/dbraw/zinc/98/30/78/599983078.db2.gz	WRHSBRJOOMEESF-NSHDSACASA-N	-2	1	381.204	1.889	20	5		GDBDML
O=C([O-])COc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1	ZINC000739834107	600635447	/nfs/dbraw/zinc/63/54/47/600635447.db2.gz	VVEQLPLQPDBKLO-UHFFFAOYSA-N	-2	1	384.341	1.676	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000833682375	604510060	/nfs/dbraw/zinc/51/00/60/604510060.db2.gz	VQLSAVFEEMBJSQ-CYBMUJFWSA-N	-2	1	396.425	1.942	20	5		GDBDML
CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000819971379	606706973	/nfs/dbraw/zinc/70/69/73/606706973.db2.gz	JMOBWBZDJVEDPC-UHFFFAOYSA-N	-2	1	398.430	1.589	20	5		GDBDML
CC(C)(C)n1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000819971379	606706974	/nfs/dbraw/zinc/70/69/74/606706974.db2.gz	JMOBWBZDJVEDPC-UHFFFAOYSA-N	-2	1	398.430	1.589	20	5		GDBDML
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000261762799	645116957	/nfs/dbraw/zinc/11/69/57/645116957.db2.gz	YCPOBUXVGRKNGG-SNVBAGLBSA-N	-2	1	381.204	1.745	20	5		GDBDML
O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1	ZINC000837294222	655176694	/nfs/dbraw/zinc/17/66/94/655176694.db2.gz	UAWSJZOCWFVIQT-UHFFFAOYSA-N	-2	1	382.753	1.299	20	5		GDBDML
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000819091988	655385546	/nfs/dbraw/zinc/38/55/46/655385546.db2.gz	PHHMHRYCGJKDLH-FKQCQYRASA-N	-2	1	379.188	1.499	20	5		GDBDML
O=C([O-])[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1	ZINC000849232706	655521032	/nfs/dbraw/zinc/52/10/32/655521032.db2.gz	QMXRUOOZIAFZDJ-NSHDSACASA-N	-2	1	385.181	1.424	20	5		GDBDML
Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)ccc1[N+](=O)[O-]	ZINC000826327507	947953718	/nfs/dbraw/zinc/95/37/18/947953718.db2.gz	KCHMEDSSEPXFSQ-UHFFFAOYSA-N	-2	1	395.788	1.933	20	5		GDBDML
CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001589554411	948774511	/nfs/dbraw/zinc/77/45/11/948774511.db2.gz	HODSLHACDVDWLA-LURJTMIESA-N	-2	1	399.194	1.886	20	5		GDBDML
Cn1nccc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC001594592391	956062097	/nfs/dbraw/zinc/06/20/97/956062097.db2.gz	FQTVNSNBYJJDKM-LLVKDONJSA-N	-2	1	392.752	1.225	20	5		GDBDML
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccccc1[N+](=O)[O-]	ZINC000852737537	969291357	/nfs/dbraw/zinc/29/13/57/969291357.db2.gz	TZYUZJSMCQHQOO-ZYHUDNBSSA-N	-2	1	375.303	1.691	20	5		GDBDML
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1ccccc1F	ZINC001593430872	995246372	/nfs/dbraw/zinc/24/63/72/995246372.db2.gz	BHKUCFWRTQISPX-RFAUZJTJSA-N	-2	1	398.368	1.833	20	5		GDBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1cccc(F)c1	ZINC000833164327	600740976	/nfs/dbraw/zinc/74/09/76/600740976.db2.gz	RGEKCTGDLQPMRX-LLVKDONJSA-N	-2	1	383.357	1.351	20	5		GDBDML
COC[C@](C)([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000831631373	601804894	/nfs/dbraw/zinc/80/48/94/601804894.db2.gz	FRWZDBQEQGPLNW-NSHDSACASA-N	-2	1	397.203	1.125	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@](CC)(C(=O)[O-])c2ccccc2)c([N+](=O)[O-])n1	ZINC000566007918	604507617	/nfs/dbraw/zinc/50/76/17/604507617.db2.gz	ZMOIXFMDGWUHEJ-HNNXBMFYSA-N	-2	1	382.398	1.480	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)c([N+](=O)[O-])n1	ZINC000833683746	605784538	/nfs/dbraw/zinc/78/45/38/605784538.db2.gz	VCFIITGRKZWEEH-UHFFFAOYSA-N	-2	1	380.342	1.187	20	5		GDBDML
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1O	ZINC000822259505	607155938	/nfs/dbraw/zinc/15/59/38/607155938.db2.gz	ZOTIMBNKLUQZMA-UHFFFAOYSA-N	-2	1	376.354	1.590	20	5		GDBDML
Cc1nc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)s1	ZINC000822431808	607155993	/nfs/dbraw/zinc/15/59/93/607155993.db2.gz	KOPHGKFDNWGCQL-UHFFFAOYSA-N	-2	1	381.399	1.649	20	5		GDBDML
Cc1nc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1	ZINC000822431808	607155994	/nfs/dbraw/zinc/15/59/94/607155994.db2.gz	KOPHGKFDNWGCQL-UHFFFAOYSA-N	-2	1	381.399	1.649	20	5		GDBDML
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-]	ZINC000590899896	652153167	/nfs/dbraw/zinc/15/31/67/652153167.db2.gz	XYPNMPRDKOEDPY-BQBZGAKWSA-N	-2	1	381.204	1.745	20	5		GDBDML
CO[C@H](C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000594573436	652317213	/nfs/dbraw/zinc/31/72/13/652317213.db2.gz	OHRNDLXVHQCUMF-ZYHUDNBSSA-N	-2	1	392.817	1.795	20	5		GDBDML
O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000848680107	655498928	/nfs/dbraw/zinc/49/89/28/655498928.db2.gz	ABIXXJALSPSMHI-ZETCQYMHSA-N	-2	1	385.167	1.448	20	5		GDBDML
CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000848683340	655499277	/nfs/dbraw/zinc/49/92/77/655499277.db2.gz	SEJGVKMTUDOASI-ZYHUDNBSSA-N	-2	1	392.817	1.795	20	5		GDBDML
O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1	ZINC000853025351	655630101	/nfs/dbraw/zinc/63/01/01/655630101.db2.gz	ZFYMGXRAMJRGBJ-UHFFFAOYSA-N	-2	1	382.753	1.299	20	5		GDBDML
C[C@H](CSCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000592447908	531787549	/nfs/dbraw/zinc/78/75/49/531787549.db2.gz	HMZBJFOOLZGAGX-MRVPVSSYSA-N	-2	1	382.847	1.980	20	5		GDBDML
COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000531429997	600690581	/nfs/dbraw/zinc/69/05/81/600690581.db2.gz	FGHGMBUNSMACGC-UHFFFAOYSA-N	-2	1	394.361	1.809	20	5		GDBDML
C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1	ZINC000739039102	601992094	/nfs/dbraw/zinc/99/20/94/601992094.db2.gz	MWPPCAPVAAGOTQ-UWVGGRQHSA-N	-2	1	375.378	1.791	20	5		GDBDML
O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000545122741	602111542	/nfs/dbraw/zinc/11/15/42/602111542.db2.gz	CQJHRUIJZVQTSA-UHFFFAOYSA-N	-2	1	380.334	1.721	20	5		GDBDML
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C(=O)[O-])c1	ZINC000832419565	602113318	/nfs/dbraw/zinc/11/33/18/602113318.db2.gz	NBPPHLRDYVPTOY-UHFFFAOYSA-N	-3	1	396.333	1.801	20	5		GDBDML
Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826300108	609156555	/nfs/dbraw/zinc/15/65/55/609156555.db2.gz	IVSHBDWASXTGEN-UHFFFAOYSA-N	-2	1	376.354	1.590	20	5		GDBDML
Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826300108	609156556	/nfs/dbraw/zinc/15/65/56/609156556.db2.gz	IVSHBDWASXTGEN-UHFFFAOYSA-N	-2	1	376.354	1.590	20	5		GDBDML
CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)s1	ZINC000566177389	650832699	/nfs/dbraw/zinc/83/26/99/650832699.db2.gz	SWKCSJNMCQNOGE-UHFFFAOYSA-N	-2	1	386.411	1.746	20	5		GDBDML
CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])s1	ZINC000570568035	651044899	/nfs/dbraw/zinc/04/48/99/651044899.db2.gz	CUISFEKWENSHEN-UHFFFAOYSA-N	-2	1	386.411	1.746	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C)c(C(=O)[O-])s2)c([N+](=O)[O-])n1	ZINC000575865841	651610433	/nfs/dbraw/zinc/61/04/33/651610433.db2.gz	VRYOQIDQXCYOSA-ZETCQYMHSA-N	-2	1	389.415	1.314	20	5		GDBDML
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000590899899	652153185	/nfs/dbraw/zinc/15/31/85/652153185.db2.gz	XYPNMPRDKOEDPY-RQJHMYQMSA-N	-2	1	381.204	1.745	20	5		GDBDML
CCCCCC[C@](C)([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000829983253	654922855	/nfs/dbraw/zinc/92/28/55/654922855.db2.gz	OADXXIJFEUVNKO-AWEZNQCLSA-N	-2	1	376.435	1.903	20	5		GDBDML
CC(C)(C)C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000821262475	655425469	/nfs/dbraw/zinc/42/54/69/655425469.db2.gz	VAVVRAIMNJQYHW-PWSUYJOCSA-N	-2	1	394.833	1.777	20	5		GDBDML
O=C([O-])C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOCC1	ZINC000853025010	655630024	/nfs/dbraw/zinc/63/00/24/655630024.db2.gz	QZFYPPXFLDSXFN-UHFFFAOYSA-N	-2	1	399.208	1.814	20	5		GDBDML
COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccc(C)o1	ZINC000564921517	974558154	/nfs/dbraw/zinc/55/81/54/974558154.db2.gz	YUMZVJZRRHCQIB-LBPRGKRZSA-N	-2	1	384.366	1.860	20	5		GDBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc([N+](=O)[O-])c1	ZINC000484545668	600690664	/nfs/dbraw/zinc/69/06/64/600690664.db2.gz	WIQQHJWKMMLULH-UHFFFAOYSA-N	-2	1	378.322	1.676	20	5		GDBDML
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1	ZINC000823285411	606176919	/nfs/dbraw/zinc/17/69/19/606176919.db2.gz	SQKDWVXUWSRZFA-UHFFFAOYSA-N	-2	1	394.394	1.096	20	5		GDBDML
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823285411	606176920	/nfs/dbraw/zinc/17/69/20/606176920.db2.gz	SQKDWVXUWSRZFA-UHFFFAOYSA-N	-2	1	394.394	1.096	20	5		GDBDML
CCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000821431541	607153639	/nfs/dbraw/zinc/15/36/39/607153639.db2.gz	UWXJTWNAZKNLSC-UHFFFAOYSA-N	-2	1	390.381	1.974	20	5		GDBDML
CCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000821431541	607153640	/nfs/dbraw/zinc/15/36/40/607153640.db2.gz	UWXJTWNAZKNLSC-UHFFFAOYSA-N	-2	1	390.381	1.974	20	5		GDBDML
COc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821903936	607154193	/nfs/dbraw/zinc/15/41/93/607154193.db2.gz	OHTPAMJFUCSVJT-UHFFFAOYSA-N	-2	1	376.354	1.584	20	5		GDBDML
COc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821903936	607154194	/nfs/dbraw/zinc/15/41/94/607154194.db2.gz	OHTPAMJFUCSVJT-UHFFFAOYSA-N	-2	1	376.354	1.584	20	5		GDBDML
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-]	ZINC000590899897	652153190	/nfs/dbraw/zinc/15/31/90/652153190.db2.gz	XYPNMPRDKOEDPY-NKWVEPMBSA-N	-2	1	381.204	1.745	20	5		GDBDML
CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000841774865	655353085	/nfs/dbraw/zinc/35/30/85/655353085.db2.gz	WRTJRFUHJUTDKM-JTQLQIEISA-N	-2	1	399.194	1.884	20	5		GDBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000821487056	655430667	/nfs/dbraw/zinc/43/06/67/655430667.db2.gz	OYBVJCWXRHKQAQ-UHFFFAOYSA-N	-2	1	381.399	1.595	20	5		GDBDML
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000821727908	655433863	/nfs/dbraw/zinc/43/38/63/655433863.db2.gz	POWLMCAMZQUVJA-UHFFFAOYSA-N	-2	1	383.371	1.041	20	5		GDBDML
CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000848683979	655499352	/nfs/dbraw/zinc/49/93/52/655499352.db2.gz	ZVNLWRKLWJRBCR-QWRGUYRKSA-N	-2	1	376.362	1.281	20	5		GDBDML
O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOCC1	ZINC000853024253	655630003	/nfs/dbraw/zinc/63/00/03/655630003.db2.gz	IBQVVYXIIDKFHL-UHFFFAOYSA-N	-2	1	399.208	1.814	20	5		GDBDML
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc([N+](=O)[O-])c1	ZINC000852738479	955853129	/nfs/dbraw/zinc/85/31/29/955853129.db2.gz	ZLEJYZJNDMGDFN-RYUDHWBXSA-N	-2	1	375.303	1.691	20	5		GDBDML
COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1ccc(C)o1	ZINC000563073562	974513080	/nfs/dbraw/zinc/51/30/80/974513080.db2.gz	WSJYJODILCNPDQ-GFCCVEGCSA-N	-2	1	384.366	1.860	20	5		GDBDML
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000021363705	530570769	/nfs/dbraw/zinc/57/07/69/530570769.db2.gz	UUGCHOQXVYMUBO-UHFFFAOYSA-N	-2	1	387.395	1.009	20	5		GDBDML
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000274924222	532242626	/nfs/dbraw/zinc/24/26/26/532242626.db2.gz	BJSJAEBZEXOSFX-ZETCQYMHSA-N	-2	1	381.204	1.889	20	5		GDBDML
O=C([O-])CCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000776445754	598165080	/nfs/dbraw/zinc/16/50/80/598165080.db2.gz	RDTNDXWGDQBPBH-UHFFFAOYSA-N	-2	1	381.204	1.891	20	5		GDBDML
Cc1c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000738275837	600631575	/nfs/dbraw/zinc/63/15/75/600631575.db2.gz	DGGPHTDJCBCCTG-UHFFFAOYSA-N	-2	1	381.326	1.932	20	5		GDBDML
C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])NC(=O)[O-]	ZINC000738904952	602315605	/nfs/dbraw/zinc/31/56/05/602315605.db2.gz	LFWRBUSXKWUZLD-ZETCQYMHSA-N	-2	1	396.219	1.682	20	5		GDBDML
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-c2nnn[n-]2)s1	ZINC000823285072	606179426	/nfs/dbraw/zinc/17/94/26/606179426.db2.gz	MXJIOVDYGKLZHJ-UHFFFAOYSA-N	-2	1	386.396	1.017	20	5		GDBDML
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-c2nn[n-]n2)s1	ZINC000823285072	606179428	/nfs/dbraw/zinc/17/94/28/606179428.db2.gz	MXJIOVDYGKLZHJ-UHFFFAOYSA-N	-2	1	386.396	1.017	20	5		GDBDML
Cc1cnn(C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000548207536	650535633	/nfs/dbraw/zinc/53/56/33/650535633.db2.gz	LGDDMTVQZVUAPG-JTQLQIEISA-N	-2	1	388.789	1.185	20	5		GDBDML
O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000776600042	654698620	/nfs/dbraw/zinc/69/86/20/654698620.db2.gz	KOVNYDARBWUZIR-LLVKDONJSA-N	-2	1	392.817	1.796	20	5		GDBDML
O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776601077	654698788	/nfs/dbraw/zinc/69/87/88/654698788.db2.gz	MGXITOOZDXASMM-NSHDSACASA-N	-2	1	392.817	1.796	20	5		GDBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1	ZINC000749917620	654844205	/nfs/dbraw/zinc/84/42/05/654844205.db2.gz	BDVOTWNLQBAOTK-UHFFFAOYSA-N	-2	1	377.791	1.724	20	5		GDBDML
COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1ccc(C)o1	ZINC000519540115	974329384	/nfs/dbraw/zinc/32/93/84/974329384.db2.gz	MJEWXIXCOHIBCR-GFCCVEGCSA-N	-2	1	384.366	1.860	20	5		GDBDML
Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1C(=O)[O-]	ZINC000324631487	532074831	/nfs/dbraw/zinc/07/48/31/532074831.db2.gz	GAGVGQQBPBSBDA-UHFFFAOYSA-N	-2	1	375.359	1.676	20	5		GDBDML
C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000274924220	532243033	/nfs/dbraw/zinc/24/30/33/532243033.db2.gz	BJSJAEBZEXOSFX-SSDOTTSWSA-N	-2	1	381.204	1.889	20	5		GDBDML
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000832182505	602114636	/nfs/dbraw/zinc/11/46/36/602114636.db2.gz	JSSQDJIWBVELMO-UHFFFAOYSA-N	-2	1	396.333	1.801	20	5		GDBDML
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000739214077	603154444	/nfs/dbraw/zinc/15/44/44/603154444.db2.gz	YDQGNABKYKVHLR-SCZZXKLOSA-N	-2	1	391.377	1.516	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1-c1nnn[n-]1	ZINC000826499977	607817533	/nfs/dbraw/zinc/81/75/33/607817533.db2.gz	HDPYUYZVTRJSSJ-UHFFFAOYSA-N	-2	1	396.772	1.935	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1-c1nn[n-]n1	ZINC000826499977	607817534	/nfs/dbraw/zinc/81/75/34/607817534.db2.gz	HDPYUYZVTRJSSJ-UHFFFAOYSA-N	-2	1	396.772	1.935	20	5		GDBDML
CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776562496	654695492	/nfs/dbraw/zinc/69/54/92/654695492.db2.gz	DRZPPCAUXDLTDB-SECBINFHSA-N	-2	1	395.231	1.992	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])n1	ZINC000564926365	974559581	/nfs/dbraw/zinc/55/95/81/974559581.db2.gz	ICCYXVDLIFXYBV-LLVKDONJSA-N	-2	1	386.361	1.097	20	5		GDBDML
COc1cc(C(=O)[O-])ccc1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC001599368752	998377515	/nfs/dbraw/zinc/37/75/15/998377515.db2.gz	RNPHKTOZWLBKPR-UHFFFAOYSA-N	-2	1	398.368	1.962	20	5		GDBDML
COC1(C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])CCC1	ZINC000593275696	531827357	/nfs/dbraw/zinc/82/73/57/531827357.db2.gz	GOSBWYUMKWHDNL-SNVBAGLBSA-N	-2	1	392.817	1.939	20	5		GDBDML
O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000275324504	532286934	/nfs/dbraw/zinc/28/69/34/532286934.db2.gz	SRQPSOFBLGTAMF-ZETCQYMHSA-N	-2	1	376.696	1.932	20	5		GDBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c([N+](=O)[O-])c1	ZINC000740187487	600024146	/nfs/dbraw/zinc/02/41/46/600024146.db2.gz	NWBABVAMCDASSI-UHFFFAOYSA-N	-2	1	389.349	1.675	20	5		GDBDML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000832468542	600690651	/nfs/dbraw/zinc/69/06/51/600690651.db2.gz	IMRWMZLJGPXCSL-UHFFFAOYSA-N	-3	1	396.333	1.801	20	5		GDBDML
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000736316804	600798403	/nfs/dbraw/zinc/79/84/03/600798403.db2.gz	AGCFGLRGVJSSPA-UHFFFAOYSA-N	-2	1	381.204	1.889	20	5		GDBDML
COC[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000831632633	601803948	/nfs/dbraw/zinc/80/39/48/601803948.db2.gz	ZEQOZJNCOSWAEY-NSHDSACASA-N	-2	1	397.203	1.125	20	5		GDBDML
O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000740496539	602456375	/nfs/dbraw/zinc/45/63/75/602456375.db2.gz	GUFFWYTXIFMACP-SECBINFHSA-N	-2	1	377.806	1.917	20	5		GDBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1	ZINC000822201173	606788438	/nfs/dbraw/zinc/78/84/38/606788438.db2.gz	UJRMDRNBSNZXAR-UHFFFAOYSA-N	-2	1	398.792	1.271	20	5		GDBDML
COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1F	ZINC000821838810	607154624	/nfs/dbraw/zinc/15/46/24/607154624.db2.gz	POQQREFOBRBYEF-UHFFFAOYSA-N	-2	1	394.344	1.723	20	5		GDBDML
COc1ccc(O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000821837557	607155341	/nfs/dbraw/zinc/15/53/41/607155341.db2.gz	DMFJAOUZSXGLLZ-UHFFFAOYSA-N	-2	1	392.353	1.290	20	5		GDBDML
COc1ccc(O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000821837557	607155342	/nfs/dbraw/zinc/15/53/42/607155342.db2.gz	DMFJAOUZSXGLLZ-UHFFFAOYSA-N	-2	1	392.353	1.290	20	5		GDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1	ZINC000371385079	607790993	/nfs/dbraw/zinc/79/09/93/607790993.db2.gz	OWFHXOWJZZRDAP-UHFFFAOYSA-N	-2	1	376.354	1.590	20	5		GDBDML
O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000794768536	655153967	/nfs/dbraw/zinc/15/39/67/655153967.db2.gz	ZUNNIWVRIBWTHN-VIFPVBQESA-N	-2	1	393.215	1.889	20	5		GDBDML
CC(C)(C)C[C@@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000821249632	655425049	/nfs/dbraw/zinc/42/50/49/655425049.db2.gz	PPUQZICKLWNNJE-MNOVXSKESA-N	-2	1	394.833	1.777	20	5		GDBDML
Cc1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001594360293	958442108	/nfs/dbraw/zinc/44/21/08/958442108.db2.gz	SUZVXNVMIFSTEQ-YPMHNXCESA-N	-2	1	389.330	1.999	20	5		GDBDML
CCOC(=O)c1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc([N+](=O)[O-])c1	ZINC000737148844	978383516	/nfs/dbraw/zinc/38/35/16/978383516.db2.gz	QBNZKQNSXVWWOS-UHFFFAOYSA-N	-2	1	394.365	1.893	20	5		GDBDML
O=C([O-])CCc1nnc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1	ZINC000739781162	600629789	/nfs/dbraw/zinc/62/97/89/600629789.db2.gz	IXWXZHNVQQBZRX-UHFFFAOYSA-N	-2	1	389.353	1.297	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(C)c2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548213916	604507384	/nfs/dbraw/zinc/50/73/84/604507384.db2.gz	DHWIFRPCHLLOQE-CYBMUJFWSA-N	-2	1	396.425	1.341	20	5		GDBDML
O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)CC1	ZINC000834117348	605543931	/nfs/dbraw/zinc/54/39/31/605543931.db2.gz	XGUBGAGSIMEIFH-CYBMUJFWSA-N	-2	1	392.412	1.335	20	5		GDBDML
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1	ZINC000540848277	650370979	/nfs/dbraw/zinc/37/09/79/650370979.db2.gz	XXTZWHXFPLFYBN-UHFFFAOYSA-N	-2	1	375.746	1.707	20	5		GDBDML
O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000594574165	652318152	/nfs/dbraw/zinc/31/81/52/652318152.db2.gz	YJQVKJMTGFQZJN-ZETCQYMHSA-N	-2	1	385.167	1.448	20	5		GDBDML
Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1S(N)(=O)=O	ZINC000728184793	654885769	/nfs/dbraw/zinc/88/57/69/654885769.db2.gz	LYZKFRSCULXODA-UHFFFAOYSA-N	-2	1	387.395	1.057	20	5		GDBDML
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H](C)C(=O)[O-]	ZINC000837290880	655175178	/nfs/dbraw/zinc/17/51/78/655175178.db2.gz	DIPZYMAGRVPHPK-BQBZGAKWSA-N	-2	1	381.204	1.745	20	5		GDBDML
CCOC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000290609900	531244308	/nfs/dbraw/zinc/24/43/08/531244308.db2.gz	JKAPFWZBOILWKX-QMMMGPOBSA-N	-2	1	397.203	1.125	20	5		GDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1	ZINC000548212313	599877409	/nfs/dbraw/zinc/87/74/09/599877409.db2.gz	UAVHBKLSRIJPHW-OAHLLOKOSA-N	-2	1	394.361	1.470	20	5		GDBDML
O=C([O-])CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1	ZINC000833205555	601270959	/nfs/dbraw/zinc/27/09/59/601270959.db2.gz	DZANGSAYAMUOKW-UHFFFAOYSA-N	-2	1	378.790	1.550	20	5		GDBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1F	ZINC000471135781	602111401	/nfs/dbraw/zinc/11/14/01/602111401.db2.gz	DXYBTSDMRWPLMC-UHFFFAOYSA-N	-3	1	384.297	1.931	20	5		GDBDML
COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826209389	608528553	/nfs/dbraw/zinc/52/85/53/608528553.db2.gz	ZVGGIJYGYZDVHR-UHFFFAOYSA-N	-2	1	394.344	1.723	20	5		GDBDML
COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826209389	608528554	/nfs/dbraw/zinc/52/85/54/608528554.db2.gz	ZVGGIJYGYZDVHR-UHFFFAOYSA-N	-2	1	394.344	1.723	20	5		GDBDML
CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776562498	654695497	/nfs/dbraw/zinc/69/54/97/654695497.db2.gz	DRZPPCAUXDLTDB-VIFPVBQESA-N	-2	1	395.231	1.992	20	5		GDBDML
C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776589446	654697704	/nfs/dbraw/zinc/69/77/04/654697704.db2.gz	XTURGTNWUAHMGO-ZETCQYMHSA-N	-2	1	381.204	1.746	20	5		GDBDML
COC1(C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])CCC1	ZINC000593275690	531827157	/nfs/dbraw/zinc/82/71/57/531827157.db2.gz	GOSBWYUMKWHDNL-JTQLQIEISA-N	-2	1	392.817	1.939	20	5		GDBDML
C[C@]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])(C(=O)[O-])C1CC1	ZINC000736664700	600240449	/nfs/dbraw/zinc/24/04/49/600240449.db2.gz	QWPZQXWJOFHHRR-GFCCVEGCSA-N	-2	1	393.215	1.889	20	5		GDBDML
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1OC	ZINC000467300381	600897439	/nfs/dbraw/zinc/89/74/39/600897439.db2.gz	QNDYMIOUMPXSAM-UHFFFAOYSA-N	-2	1	398.349	1.817	20	5		GDBDML
C[C@](CNC(=O)[O-])([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000738927813	602708279	/nfs/dbraw/zinc/70/82/79/602708279.db2.gz	VLSIKCLSOOZDAB-CYBMUJFWSA-N	-2	1	377.806	1.963	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])Cc2ccccc2)c([N+](=O)[O-])n1	ZINC000484867174	605027642	/nfs/dbraw/zinc/02/76/42/605027642.db2.gz	NPJVUQDMJDYJGX-CYBMUJFWSA-N	-2	1	396.425	1.566	20	5		GDBDML
CC(C)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000833470946	605635966	/nfs/dbraw/zinc/63/59/66/605635966.db2.gz	DGFGZBLEBGGBAO-HNNXBMFYSA-N	-2	1	394.380	1.805	20	5		GDBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1	ZINC000918683963	660239243	/nfs/dbraw/zinc/23/92/43/660239243.db2.gz	KDYKQLAPCNRHCB-UHFFFAOYSA-N	-2	1	377.791	1.724	20	5		GDBDML
O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776601076	654698729	/nfs/dbraw/zinc/69/87/29/654698729.db2.gz	MGXITOOZDXASMM-LLVKDONJSA-N	-2	1	392.817	1.796	20	5		GDBDML
Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000776645377	654702181	/nfs/dbraw/zinc/70/21/81/654702181.db2.gz	SXTKLUZMVKGTAX-SNVBAGLBSA-N	-2	1	388.789	1.185	20	5		GDBDML
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000837290925	655175159	/nfs/dbraw/zinc/17/51/59/655175159.db2.gz	DIPZYMAGRVPHPK-RQJHMYQMSA-N	-2	1	381.204	1.745	20	5		GDBDML
COC1(C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)[O-])CCC1	ZINC000844824046	655417535	/nfs/dbraw/zinc/41/75/35/655417535.db2.gz	AJWTUMWJZXMNDS-SNVBAGLBSA-N	-2	1	376.362	1.425	20	5		GDBDML
O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000853070628	655631494	/nfs/dbraw/zinc/63/14/94/655631494.db2.gz	YZYKITUMYZOKJG-VIFPVBQESA-N	-2	1	391.199	1.809	20	5		GDBDML
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1ccccc1F	ZINC001593430868	995246034	/nfs/dbraw/zinc/24/60/34/995246034.db2.gz	BHKUCFWRTQISPX-BJOHPYRUSA-N	-2	1	398.368	1.833	20	5		GDBDML
CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000069647275	530798935	/nfs/dbraw/zinc/79/89/35/530798935.db2.gz	CSIQFRWCBXSNSM-UHFFFAOYSA-N	-2	1	386.407	1.646	20	5		GDBDML
CO[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(F)(F)F	ZINC000414346816	531441957	/nfs/dbraw/zinc/44/19/57/531441957.db2.gz	QEYJFPYSGWESAJ-SNVBAGLBSA-N	-2	1	386.304	1.539	20	5		GDBDML
CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1	ZINC000492181950	531561992	/nfs/dbraw/zinc/56/19/92/531561992.db2.gz	OFFVXFFAQXIEBP-UHFFFAOYSA-N	-2	1	389.440	1.792	20	5		GDBDML
C[C@@H](CSCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000592447909	531787062	/nfs/dbraw/zinc/78/70/62/531787062.db2.gz	HMZBJFOOLZGAGX-QMMMGPOBSA-N	-2	1	382.847	1.980	20	5		GDBDML
Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000822201907	607004483	/nfs/dbraw/zinc/00/44/83/607004483.db2.gz	AVTAMFOGCRHGFC-UHFFFAOYSA-N	-2	1	395.788	1.933	20	5		GDBDML
Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000822201907	607004485	/nfs/dbraw/zinc/00/44/85/607004485.db2.gz	AVTAMFOGCRHGFC-UHFFFAOYSA-N	-2	1	395.788	1.933	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1-c1nn[n-]n1	ZINC000826499879	608529110	/nfs/dbraw/zinc/52/91/10/608529110.db2.gz	BYXLNQOVLXUYOR-UHFFFAOYSA-N	-2	1	388.365	1.606	20	5		GDBDML
CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)(C(=O)[O-])C1(C)C	ZINC000547700630	650512255	/nfs/dbraw/zinc/51/22/55/650512255.db2.gz	BCFPQPIUOWPPLR-ISVAXAHUSA-N	-2	1	378.428	1.593	20	5		GDBDML
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000514685120	648460460	/nfs/dbraw/zinc/46/04/60/648460460.db2.gz	VLFCDQSBUCWUGE-UHFFFAOYSA-N	-2	1	386.407	1.813	20	5		GDBDML
CC(C)(C)C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000821262476	655425445	/nfs/dbraw/zinc/42/54/45/655425445.db2.gz	VAVVRAIMNJQYHW-ZYHUDNBSSA-N	-2	1	394.833	1.777	20	5		GDBDML
O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000853068455	655631039	/nfs/dbraw/zinc/63/10/39/655631039.db2.gz	AXLSKRQEINORHL-VIFPVBQESA-N	-2	1	391.199	1.809	20	5		GDBDML
C[C@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC001592217187	977288327	/nfs/dbraw/zinc/28/83/27/977288327.db2.gz	NKOKTLPDBAFSCP-YRFDSLTASA-N	-2	1	397.178	1.804	20	5		GDBDML
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1ccccc1F	ZINC001593430870	995246290	/nfs/dbraw/zinc/24/62/90/995246290.db2.gz	BHKUCFWRTQISPX-PSLIRLAXSA-N	-2	1	398.368	1.833	20	5		GDBDML
COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC001599218394	997623158	/nfs/dbraw/zinc/62/31/58/997623158.db2.gz	HDLQZXFBHLWARP-QMMMGPOBSA-N	-2	1	387.197	1.670	20	5		GDBDML
O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000547880814	531497089	/nfs/dbraw/zinc/49/70/89/531497089.db2.gz	CBVCFTZRJPOHOB-UHFFFAOYSA-N	-2	1	377.425	1.261	20	5		GDBDML
O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000549549106	531521979	/nfs/dbraw/zinc/52/19/79/531521979.db2.gz	MOBOYASQUJTRMB-ZWNOBZJWSA-N	-2	1	392.455	1.719	20	5		GDBDML
O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000275066955	532260660	/nfs/dbraw/zinc/26/06/60/532260660.db2.gz	VRDGRKOJKNHJMQ-APPZFPTMSA-N	-2	1	391.199	1.665	20	5		GDBDML
O=C([O-])NC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCCC1	ZINC000740547268	601986899	/nfs/dbraw/zinc/98/68/99/601986899.db2.gz	BIPCKHKGYJUCBF-UHFFFAOYSA-N	-2	1	375.378	1.983	20	5		GDBDML
C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000738927816	602708211	/nfs/dbraw/zinc/70/82/11/602708211.db2.gz	VLSIKCLSOOZDAB-ZDUSSCGKSA-N	-2	1	377.806	1.963	20	5		GDBDML
NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000833762255	605328941	/nfs/dbraw/zinc/32/89/41/605328941.db2.gz	HRMALIZCALQPFI-UHFFFAOYSA-N	-2	1	383.313	1.332	20	5		GDBDML
O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000547890498	650518699	/nfs/dbraw/zinc/51/86/99/650518699.db2.gz	GIMOWQRMKHEGJP-ZETCQYMHSA-N	-2	1	390.420	1.722	20	5		GDBDML
Cc1c(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000852734769	955844146	/nfs/dbraw/zinc/84/41/46/955844146.db2.gz	CZQNDLXOSWJMQN-DGCLKSJQSA-N	-2	1	389.330	1.999	20	5		GDBDML
C[C@](CCF)([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001592506859	978322658	/nfs/dbraw/zinc/32/26/58/978322658.db2.gz	GTBXNYSMXUOGAQ-LLVKDONJSA-N	-2	1	399.194	1.839	20	5		GDBDML
O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000274973426	532249523	/nfs/dbraw/zinc/24/95/23/532249523.db2.gz	IXDXSCDDGUCMCH-CBAPKCEASA-N	-2	1	391.199	1.665	20	5		GDBDML
O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471137093	602112737	/nfs/dbraw/zinc/11/27/37/602112737.db2.gz	QEKBFSKAMOPKAE-UHFFFAOYSA-N	-2	1	384.297	1.931	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548590247	604507561	/nfs/dbraw/zinc/50/75/61/604507561.db2.gz	RXPUPSCIQQZCFJ-MFKMUULPSA-N	-2	1	382.398	1.552	20	5		GDBDML
CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776539274	654694038	/nfs/dbraw/zinc/69/40/38/654694038.db2.gz	OKGFGPBIKBXAHA-ZETCQYMHSA-N	-2	1	381.204	1.746	20	5		GDBDML
C[C@@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC001592217184	977288191	/nfs/dbraw/zinc/28/81/91/977288191.db2.gz	NKOKTLPDBAFSCP-GFNSNHMOSA-N	-2	1	397.178	1.804	20	5		GDBDML
O=C([O-])Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000819626298	596921826	/nfs/dbraw/zinc/92/18/26/596921826.db2.gz	PUWGAEZHQWZZLT-UHFFFAOYSA-N	-2	1	380.334	1.721	20	5		GDBDML
O=C([O-])NCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000740653120	602388251	/nfs/dbraw/zinc/38/82/51/602388251.db2.gz	UUGGOXXWCXFLIH-UHFFFAOYSA-N	-2	1	382.192	1.293	20	5		GDBDML
C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000833531581	605637375	/nfs/dbraw/zinc/63/73/75/605637375.db2.gz	JDJUNLREBXLOMW-JTQLQIEISA-N	-2	1	388.332	1.860	20	5		GDBDML
O=C([O-])[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000547890492	650518695	/nfs/dbraw/zinc/51/86/95/650518695.db2.gz	GIMOWQRMKHEGJP-SSDOTTSWSA-N	-2	1	390.420	1.722	20	5		GDBDML
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001595310204	980466943	/nfs/dbraw/zinc/46/69/43/980466943.db2.gz	DCWPNSXHGSBDKM-SSDOTTSWSA-N	-2	1	385.167	1.638	20	5		GDBDML
Cc1c([N-]S(=O)(=O)CCOCC(F)(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600658292	532047234	/nfs/dbraw/zinc/04/72/34/532047234.db2.gz	MAGQPFGJODCQQN-UHFFFAOYSA-N	-2	1	386.304	1.922	20	5		GDBDML
O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000275066957	532260264	/nfs/dbraw/zinc/26/02/64/532260264.db2.gz	VRDGRKOJKNHJMQ-IONNQARKSA-N	-2	1	391.199	1.665	20	5		GDBDML
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000261762798	599979472	/nfs/dbraw/zinc/97/94/72/599979472.db2.gz	YCPOBUXVGRKNGG-JTQLQIEISA-N	-2	1	381.204	1.745	20	5		GDBDML
O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000833259092	602113802	/nfs/dbraw/zinc/11/38/02/602113802.db2.gz	HTAPAQBAORMGGS-UHFFFAOYSA-N	-3	1	396.333	1.557	20	5		GDBDML
C[C@](CNC(=O)[O-])([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000738923358	602708951	/nfs/dbraw/zinc/70/89/51/602708951.db2.gz	DZSDEDRTEZHBQH-CYBMUJFWSA-N	-2	1	377.806	1.963	20	5		GDBDML
COc1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)c([N+](=O)[O-])c1	ZINC000821845216	607026111	/nfs/dbraw/zinc/02/61/11/607026111.db2.gz	CTPDDXVPFXWWTI-UHFFFAOYSA-N	-2	1	383.371	1.041	20	5		GDBDML
CCOc1ncccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821437134	607153626	/nfs/dbraw/zinc/15/36/26/607153626.db2.gz	JPYQOSPNFDDLEY-UHFFFAOYSA-N	-2	1	391.369	1.369	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@](C)(CCC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000551245387	650602949	/nfs/dbraw/zinc/60/29/49/650602949.db2.gz	GGIWTMOJXKCDMX-AWEZNQCLSA-N	-2	1	376.435	1.759	20	5		GDBDML
O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837288756	655174463	/nfs/dbraw/zinc/17/44/63/655174463.db2.gz	QAKXSKNFIWLCEO-XCBNKYQSSA-N	-2	1	396.780	1.545	20	5		GDBDML
CC(C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H](O)C(=O)[O-]	ZINC001590878988	990788902	/nfs/dbraw/zinc/78/89/02/990788902.db2.gz	DBHRMORTRULGIM-SECBINFHSA-N	-2	1	387.197	1.404	20	5		GDBDML
COCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275015718	532253065	/nfs/dbraw/zinc/25/30/65/532253065.db2.gz	COLIZPWLJAFPFR-QMMMGPOBSA-N	-2	1	397.203	1.125	20	5		GDBDML
C[C@]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])(C(=O)[O-])C1CC1	ZINC000736665163	600239863	/nfs/dbraw/zinc/23/98/63/600239863.db2.gz	VYZMOPUWVRFCEK-GFCCVEGCSA-N	-2	1	393.215	1.889	20	5		GDBDML
C[C@@]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])(C(=O)[O-])C1CC1	ZINC000736665165	600239963	/nfs/dbraw/zinc/23/99/63/600239963.db2.gz	VYZMOPUWVRFCEK-LBPRGKRZSA-N	-2	1	393.215	1.889	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2)c([N+](=O)[O-])n1	ZINC000583059770	604507687	/nfs/dbraw/zinc/50/76/87/604507687.db2.gz	TVWOAIXFVKFDLQ-LLVKDONJSA-N	-2	1	388.789	1.569	20	5		GDBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc([N+](=O)[O-])c1	ZINC000489585189	604769693	/nfs/dbraw/zinc/76/96/93/604769693.db2.gz	MMCYZZJLLJEXSE-UHFFFAOYSA-N	-3	1	384.297	1.931	20	5		GDBDML
Cc1nc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])CCCC2)no1	ZINC000570959535	605390965	/nfs/dbraw/zinc/39/09/65/605390965.db2.gz	GUSQTSUYPJSJHC-UHFFFAOYSA-N	-2	1	396.381	1.732	20	5		GDBDML
Cc1cc(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000822200916	606710809	/nfs/dbraw/zinc/71/08/09/606710809.db2.gz	IPKLPYARFMEKDG-UHFFFAOYSA-N	-2	1	398.792	1.271	20	5		GDBDML
COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821719547	607154613	/nfs/dbraw/zinc/15/46/13/607154613.db2.gz	FJTIKNSXBHMMBP-UHFFFAOYSA-N	-2	1	394.344	1.723	20	5		GDBDML
COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821719547	607154614	/nfs/dbraw/zinc/15/46/14/607154614.db2.gz	FJTIKNSXBHMMBP-UHFFFAOYSA-N	-2	1	394.344	1.723	20	5		GDBDML
COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000826164150	608756939	/nfs/dbraw/zinc/75/69/39/608756939.db2.gz	DJTVNJXOAHHWRN-UHFFFAOYSA-N	-2	1	391.369	1.117	20	5		GDBDML
COc1cc(O)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000826180954	609530712	/nfs/dbraw/zinc/53/07/12/609530712.db2.gz	FSFFNUXOSSIYGA-UHFFFAOYSA-N	-2	1	392.353	1.290	20	5		GDBDML
O=C([O-])CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000263563736	645155964	/nfs/dbraw/zinc/15/59/64/645155964.db2.gz	UJLWUSQDTOMSRX-UHFFFAOYSA-N	-2	1	385.167	1.640	20	5		GDBDML
O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776535925	654693696	/nfs/dbraw/zinc/69/36/96/654693696.db2.gz	BLLGVSXUEIMAGL-PSASIEDQSA-N	-2	1	378.790	1.406	20	5		GDBDML
O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000776602041	654698972	/nfs/dbraw/zinc/69/89/72/654698972.db2.gz	QOHJCWIUHPVWGJ-NSHDSACASA-N	-2	1	376.362	1.282	20	5		GDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)ccc1Cl	ZINC000823634189	655466031	/nfs/dbraw/zinc/46/60/31/655466031.db2.gz	CHWKMIBFARMTSR-UHFFFAOYSA-N	-2	1	387.790	1.686	20	5		GDBDML
Cc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001594360224	958442385	/nfs/dbraw/zinc/44/23/85/958442385.db2.gz	SUZVXNVMIFSTEQ-AAEUAGOBSA-N	-2	1	389.330	1.999	20	5		GDBDML
CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000278273845	531348736	/nfs/dbraw/zinc/34/87/36/531348736.db2.gz	YORFLMPOELHQFF-VIFPVBQESA-N	-2	1	394.789	1.323	20	5		GDBDML
O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000278758361	531386050	/nfs/dbraw/zinc/38/60/50/531386050.db2.gz	RRQCTMRLAMBGKQ-MRVPVSSYSA-N	-3	1	380.762	1.235	20	5		GDBDML
COCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275132227	532268617	/nfs/dbraw/zinc/26/86/17/532268617.db2.gz	VMDVMLNBCDUREQ-MRVPVSSYSA-N	-2	1	397.203	1.125	20	5		GDBDML
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000832413399	601233045	/nfs/dbraw/zinc/23/30/45/601233045.db2.gz	VBPDAIWAGJFSCE-UHFFFAOYSA-N	-3	1	396.333	1.801	20	5		GDBDML
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)c1C	ZINC000822270939	606981013	/nfs/dbraw/zinc/98/10/13/606981013.db2.gz	DZWOMCYYDWEQTC-UHFFFAOYSA-N	-2	1	381.399	1.649	20	5		GDBDML
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000614539380	652960575	/nfs/dbraw/zinc/96/05/75/652960575.db2.gz	ZKQQXGVIXUOCIL-UHFFFAOYSA-N	-2	1	381.204	1.889	20	5		GDBDML
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000834162504	605995493	/nfs/dbraw/zinc/99/54/93/605995493.db2.gz	YNWYXIPNIJBYRR-UYVFGJEYSA-N	-2	1	384.414	1.483	20	5		GDBDML
CCc1onc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825782595	607982814	/nfs/dbraw/zinc/98/28/14/607982814.db2.gz	IMNOMUPGSVPKDF-UHFFFAOYSA-N	-2	1	379.358	1.435	20	5		GDBDML
CCc1onc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825782595	607982815	/nfs/dbraw/zinc/98/28/15/607982815.db2.gz	IMNOMUPGSVPKDF-UHFFFAOYSA-N	-2	1	379.358	1.435	20	5		GDBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCOCC1	ZINC000776601638	654698702	/nfs/dbraw/zinc/69/87/02/654698702.db2.gz	BZALJLATZLKHDD-NSHDSACASA-N	-2	1	376.362	1.282	20	5		GDBDML
O=C([O-])C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1	ZINC000274947629	532245150	/nfs/dbraw/zinc/24/51/50/532245150.db2.gz	HOEUQDMYXXVQOZ-UHFFFAOYSA-N	-2	1	378.790	1.408	20	5		GDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1	ZINC000833169120	601389614	/nfs/dbraw/zinc/38/96/14/601389614.db2.gz	FMZDJEICZAMNQQ-JTQLQIEISA-N	-2	1	379.188	1.499	20	5		GDBDML
O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000432199125	601474562	/nfs/dbraw/zinc/47/45/62/601474562.db2.gz	UZDMVSDQRBFXTC-UHFFFAOYSA-N	-3	1	380.334	1.721	20	5		GDBDML
O=C([O-])NCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000833281064	602115181	/nfs/dbraw/zinc/11/51/81/602115181.db2.gz	VQCCWYDQPKSKIF-UHFFFAOYSA-N	-2	1	395.349	1.861	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000833682376	604509678	/nfs/dbraw/zinc/50/96/78/604509678.db2.gz	VQLSAVFEEMBJSQ-ZDUSSCGKSA-N	-2	1	396.425	1.942	20	5		GDBDML
Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000548207537	650535678	/nfs/dbraw/zinc/53/56/78/650535678.db2.gz	LGDDMTVQZVUAPG-SNVBAGLBSA-N	-2	1	388.789	1.185	20	5		GDBDML
O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000776602038	654699026	/nfs/dbraw/zinc/69/90/26/654699026.db2.gz	QOHJCWIUHPVWGJ-LLVKDONJSA-N	-2	1	376.362	1.282	20	5		GDBDML
C[C@@](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])(CC(=O)[O-])C(=O)[O-]	ZINC000837287886	655174287	/nfs/dbraw/zinc/17/42/87/655174287.db2.gz	KEJXODPPLRONSP-LBPRGKRZSA-N	-3	1	398.752	1.231	20	5		GDBDML
COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1ccc(C)o1	ZINC000519541569	974329525	/nfs/dbraw/zinc/32/95/25/974329525.db2.gz	MJEWXIXCOHIBCR-LBPRGKRZSA-N	-2	1	384.366	1.860	20	5		GDBDML
COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1ccc(C)o1	ZINC000563073563	974513508	/nfs/dbraw/zinc/51/35/08/974513508.db2.gz	WSJYJODILCNPDQ-LBPRGKRZSA-N	-2	1	384.366	1.860	20	5		GDBDML
O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000776625460	978761755	/nfs/dbraw/zinc/76/17/55/978761755.db2.gz	HAQJXDWEJKCHHT-GFCCVEGCSA-N	-2	1	386.332	1.847	20	5		GDBDML
O=C([O-])NCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000833280997	601234509	/nfs/dbraw/zinc/23/45/09/601234509.db2.gz	RHECQWFXGNCKKS-UHFFFAOYSA-N	-3	1	395.349	1.861	20	5		GDBDML
C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739039109	601991902	/nfs/dbraw/zinc/99/19/02/601991902.db2.gz	MWPPCAPVAAGOTQ-VHSXEESVSA-N	-2	1	375.378	1.791	20	5		GDBDML
O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1F	ZINC000611103472	602322022	/nfs/dbraw/zinc/32/20/22/602322022.db2.gz	BZFFHRKCEJYEJC-UHFFFAOYSA-N	-2	1	384.297	1.931	20	5		GDBDML
O=C([O-])N1CCC[C@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000740506000	602650871	/nfs/dbraw/zinc/65/08/71/602650871.db2.gz	BZDKSXSESRJSIK-SNVBAGLBSA-N	-2	1	375.378	1.792	20	5		GDBDML
O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000832482683	603132120	/nfs/dbraw/zinc/13/21/20/603132120.db2.gz	PAURWRUMIQUHMZ-WCBMZHEXSA-N	-2	1	377.806	1.963	20	5		GDBDML
CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000819845870	607152976	/nfs/dbraw/zinc/15/29/76/607152976.db2.gz	XQCRYQNNDYFEOQ-UHFFFAOYSA-N	-2	1	388.365	1.778	20	5		GDBDML
CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000819845870	607152978	/nfs/dbraw/zinc/15/29/78/607152978.db2.gz	XQCRYQNNDYFEOQ-UHFFFAOYSA-N	-2	1	388.365	1.778	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1-c1nnn[n-]1	ZINC000823647996	607155113	/nfs/dbraw/zinc/15/51/13/607155113.db2.gz	ROQRHYMEMLZMOF-UHFFFAOYSA-N	-2	1	381.761	1.624	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1-c1nn[n-]n1	ZINC000823647996	607155115	/nfs/dbraw/zinc/15/51/15/607155115.db2.gz	ROQRHYMEMLZMOF-UHFFFAOYSA-N	-2	1	381.761	1.624	20	5		GDBDML
Cc1sc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)cc1[N+](=O)[O-]	ZINC000552000341	650617326	/nfs/dbraw/zinc/61/73/26/650617326.db2.gz	OJJJXIWQBMYGED-ZCFIWIBFSA-N	-2	1	376.334	1.896	20	5		GDBDML
CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000788698579	655003982	/nfs/dbraw/zinc/00/39/82/655003982.db2.gz	FMDSITLCZBRERU-QMMMGPOBSA-N	-2	1	397.203	1.125	20	5		GDBDML
CC(C)(C)C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000821262472	655425461	/nfs/dbraw/zinc/42/54/61/655425461.db2.gz	VAVVRAIMNJQYHW-CMPLNLGQSA-N	-2	1	394.833	1.777	20	5		GDBDML
O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000275066958	532260202	/nfs/dbraw/zinc/26/02/02/532260202.db2.gz	VRDGRKOJKNHJMQ-VXNVDRBHSA-N	-2	1	391.199	1.665	20	5		GDBDML
Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc1[N+](=O)[O-]	ZINC000738304734	600628158	/nfs/dbraw/zinc/62/81/58/600628158.db2.gz	CKQMYMVLJXUJTM-UHFFFAOYSA-N	-2	1	381.326	1.932	20	5		GDBDML
Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000832970588	600741297	/nfs/dbraw/zinc/74/12/97/600741297.db2.gz	XKNANBMTOSKNRI-CYBMUJFWSA-N	-2	1	379.394	1.520	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1-c1nnn[n-]1	ZINC000823648362	607156197	/nfs/dbraw/zinc/15/61/97/607156197.db2.gz	VSALKIFACLLJFI-UHFFFAOYSA-N	-2	1	386.353	1.452	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1-c1nn[n-]n1	ZINC000823648362	607156199	/nfs/dbraw/zinc/15/61/99/607156199.db2.gz	VSALKIFACLLJFI-UHFFFAOYSA-N	-2	1	386.353	1.452	20	5		GDBDML
O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000826500390	607792048	/nfs/dbraw/zinc/79/20/48/607792048.db2.gz	WVZQQNAXPDLILN-UHFFFAOYSA-N	-2	1	390.381	1.465	20	5		GDBDML
CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837287205	655174038	/nfs/dbraw/zinc/17/40/38/655174038.db2.gz	BWJVJJZYGURDKG-KOLCDFICSA-N	-2	1	384.769	1.280	20	5		GDBDML
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000833259756	600691260	/nfs/dbraw/zinc/69/12/60/600691260.db2.gz	VZCTYBIPMAVRMF-UHFFFAOYSA-N	-3	1	396.333	1.557	20	5		GDBDML
CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000262693439	605011997	/nfs/dbraw/zinc/01/19/97/605011997.db2.gz	WOHOBNGDTGXLJH-MRVPVSSYSA-N	-2	1	381.204	1.889	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2OCO3)c1-c1nnn[n-]1	ZINC000826500280	609457706	/nfs/dbraw/zinc/45/77/06/609457706.db2.gz	RTHURDUXVDZLCM-UHFFFAOYSA-N	-2	1	390.337	1.304	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2OCO3)c1-c1nn[n-]n1	ZINC000826500280	609457708	/nfs/dbraw/zinc/45/77/08/609457708.db2.gz	RTHURDUXVDZLCM-UHFFFAOYSA-N	-2	1	390.337	1.304	20	5		GDBDML
O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548202629	650534519	/nfs/dbraw/zinc/53/45/19/650534519.db2.gz	KKXOMXSNJTYNLC-PSASIEDQSA-N	-2	1	378.790	1.406	20	5		GDBDML
O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000585819375	652089861	/nfs/dbraw/zinc/08/98/61/652089861.db2.gz	FYNPLCWTDNLIRE-VIFPVBQESA-N	-2	1	393.215	1.889	20	5		GDBDML
Cc1c([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cnn1C	ZINC000788693646	655003774	/nfs/dbraw/zinc/00/37/74/655003774.db2.gz	MGBGEOKHTYISIH-GFCCVEGCSA-N	-2	1	388.789	1.394	20	5		GDBDML
O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1	ZINC000843304892	655392341	/nfs/dbraw/zinc/39/23/41/655392341.db2.gz	RGDBKHAGZKNCII-UHFFFAOYSA-N	-2	1	396.780	1.547	20	5		GDBDML
CO[C@H](C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000848683337	655499279	/nfs/dbraw/zinc/49/92/79/655499279.db2.gz	SEJGVKMTUDOASI-CMPLNLGQSA-N	-2	1	392.817	1.795	20	5		GDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000508210100	531767343	/nfs/dbraw/zinc/76/73/43/531767343.db2.gz	FFBPYEUTQLZZLI-UHFFFAOYSA-N	-2	1	387.395	1.057	20	5		GDBDML
COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275015715	532253120	/nfs/dbraw/zinc/25/31/20/532253120.db2.gz	COLIZPWLJAFPFR-MRVPVSSYSA-N	-2	1	397.203	1.125	20	5		GDBDML
O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000275324499	532286728	/nfs/dbraw/zinc/28/67/28/532286728.db2.gz	SRQPSOFBLGTAMF-SSDOTTSWSA-N	-2	1	376.696	1.932	20	5		GDBDML
O=C([O-])CC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1	ZINC000833205699	601270974	/nfs/dbraw/zinc/27/09/74/601270974.db2.gz	LHYQDAQIBRAMCL-UHFFFAOYSA-N	-2	1	378.790	1.550	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)c([N+](=O)[O-])n1	ZINC000614337308	604507775	/nfs/dbraw/zinc/50/77/75/604507775.db2.gz	IOSNMXNXQNEDPD-NSHDSACASA-N	-2	1	390.324	1.194	20	5		GDBDML
CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1CO	ZINC000833662619	605327906	/nfs/dbraw/zinc/32/79/06/605327906.db2.gz	IFTXMBVXENLIQA-UHFFFAOYSA-N	-2	1	396.377	1.985	20	5		GDBDML
CC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000819845406	607153323	/nfs/dbraw/zinc/15/33/23/607153323.db2.gz	UEIAYZHOWVYOAO-UHFFFAOYSA-N	-2	1	388.365	1.778	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1-c1nn[n-]n1	ZINC000823647496	607154500	/nfs/dbraw/zinc/15/45/00/607154500.db2.gz	KXAUBRGJGJNMEA-UHFFFAOYSA-N	-2	1	390.337	1.304	20	5		GDBDML
O=C([O-])[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000590603775	652135839	/nfs/dbraw/zinc/13/58/39/652135839.db2.gz	ZYDGHNMIHNPZAJ-NSHDSACASA-N	-2	1	385.785	1.617	20	5		GDBDML
CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000848683963	655499335	/nfs/dbraw/zinc/49/93/35/655499335.db2.gz	ZVNLWRKLWJRBCR-GHMZBOCLSA-N	-2	1	376.362	1.281	20	5		GDBDML
Cc1[nH]nc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826293131	947852079	/nfs/dbraw/zinc/85/20/79/947852079.db2.gz	BWSBTOIZKPIXRU-UHFFFAOYSA-N	-2	1	378.374	1.224	20	5		GDBDML
CC[C@](COC)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001595199520	979941188	/nfs/dbraw/zinc/94/11/88/979941188.db2.gz	JELHGHSXMQZGSB-GFCCVEGCSA-N	-2	1	384.769	1.545	20	5		GDBDML
CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001595310205	980466760	/nfs/dbraw/zinc/46/67/60/980466760.db2.gz	DCWPNSXHGSBDKM-ZETCQYMHSA-N	-2	1	385.167	1.638	20	5		GDBDML
O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1	ZINC000275062297	532259676	/nfs/dbraw/zinc/25/96/76/532259676.db2.gz	ZBSPNVSCALRJGX-UHFFFAOYSA-N	-2	1	378.790	1.408	20	5		GDBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1	ZINC000833300842	600690250	/nfs/dbraw/zinc/69/02/50/600690250.db2.gz	ODOPUAKAZQISBG-UHFFFAOYSA-N	-3	1	384.297	1.931	20	5		GDBDML
C[C@@H](NC(=O)[O-])c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1	ZINC000825402080	604334175	/nfs/dbraw/zinc/33/41/75/604334175.db2.gz	HNZAQWARACQKBC-SNVBAGLBSA-N	-2	1	380.382	1.797	20	5		GDBDML
C[C@](CO)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000837293164	655176285	/nfs/dbraw/zinc/17/62/85/655176285.db2.gz	LBMFGELRECNBBZ-GFCCVEGCSA-N	-2	1	384.769	1.139	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-]C[C@@](C)(C(=O)[O-])c2ccccc2)c([N+](=O)[O-])n1	ZINC000593219997	953749885	/nfs/dbraw/zinc/74/98/85/953749885.db2.gz	CBZWCMDAJGOGTO-OAHLLOKOSA-N	-2	1	382.398	1.132	20	5		GDBDML
CO[C@H](CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C(F)(F)F	ZINC000582126127	531535175	/nfs/dbraw/zinc/53/51/75/531535175.db2.gz	RPKLSITYAWPOJK-SECBINFHSA-N	-2	1	386.304	1.539	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548590246	604507713	/nfs/dbraw/zinc/50/77/13/604507713.db2.gz	RXPUPSCIQQZCFJ-GXFFZTMASA-N	-2	1	382.398	1.552	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548590248	604509265	/nfs/dbraw/zinc/50/92/65/604509265.db2.gz	RXPUPSCIQQZCFJ-ZWNOBZJWSA-N	-2	1	382.398	1.552	20	5		GDBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000822035031	606709465	/nfs/dbraw/zinc/70/94/65/606709465.db2.gz	ORKMGHOGFQNPTI-UHFFFAOYSA-N	-2	1	398.792	1.271	20	5		GDBDML
CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)(C(=O)[O-])C1(C)C	ZINC000547700629	650512193	/nfs/dbraw/zinc/51/21/93/650512193.db2.gz	BCFPQPIUOWPPLR-AMIZOPFISA-N	-2	1	378.428	1.593	20	5		GDBDML
O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000776600044	654698529	/nfs/dbraw/zinc/69/85/29/654698529.db2.gz	KOVNYDARBWUZIR-NSHDSACASA-N	-2	1	392.817	1.796	20	5		GDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCC1	ZINC000776614409	654699865	/nfs/dbraw/zinc/69/98/65/654699865.db2.gz	JPHKWBLDYZITJK-LLVKDONJSA-N	-2	1	393.215	1.889	20	5		GDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCC1	ZINC000776614410	654699879	/nfs/dbraw/zinc/69/98/79/654699879.db2.gz	JPHKWBLDYZITJK-NSHDSACASA-N	-2	1	393.215	1.889	20	5		GDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000837286054	655173807	/nfs/dbraw/zinc/17/38/07/655173807.db2.gz	DWHKAIWBULKQCH-KGFZYKRKSA-N	-2	1	382.753	1.155	20	5		GDBDML
O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000580754940	974898930	/nfs/dbraw/zinc/89/89/30/974898930.db2.gz	CGQRTEYOUNXIKE-CYBMUJFWSA-N	-2	1	379.394	1.744	20	5		GDBDML
CC[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001595171706	979737975	/nfs/dbraw/zinc/73/79/75/979737975.db2.gz	MLGRSQONMZRHMZ-ZETCQYMHSA-N	-2	1	381.204	1.746	20	5		GDBDML
CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000022287196	530572130	/nfs/dbraw/zinc/57/21/30/530572130.db2.gz	QWGQODUIFXRBPJ-UHFFFAOYSA-N	-2	1	386.407	1.895	20	5		GDBDML
CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000277965396	531323791	/nfs/dbraw/zinc/32/37/91/531323791.db2.gz	IDBUZZKUTPFRTE-VIFPVBQESA-N	-2	1	394.789	1.323	20	5		GDBDML
CC(C)(C)OC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000581982730	531524725	/nfs/dbraw/zinc/52/47/25/531524725.db2.gz	FGHNXDLYPLELIW-MRVPVSSYSA-N	-2	1	394.427	1.510	20	5		GDBDML
O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000297166653	531764817	/nfs/dbraw/zinc/76/48/17/531764817.db2.gz	KEZSPXFNOYVYBY-UHFFFAOYSA-N	-2	1	379.188	1.500	20	5		GDBDML
O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000274973428	532248943	/nfs/dbraw/zinc/24/89/43/532248943.db2.gz	IXDXSCDDGUCMCH-IONNQARKSA-N	-2	1	391.199	1.665	20	5		GDBDML
C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000738923359	602708990	/nfs/dbraw/zinc/70/89/90/602708990.db2.gz	DZSDEDRTEZHBQH-ZDUSSCGKSA-N	-2	1	377.806	1.963	20	5		GDBDML
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000542944911	605167112	/nfs/dbraw/zinc/16/71/12/605167112.db2.gz	GZRLESVDKSUTDB-UHFFFAOYSA-N	-2	1	382.350	1.868	20	5		GDBDML
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c(O)c1	ZINC000826291353	608885304	/nfs/dbraw/zinc/88/53/04/608885304.db2.gz	BCMXZVPIJGFUIN-UHFFFAOYSA-N	-2	1	376.354	1.590	20	5		GDBDML
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(O)c1	ZINC000826291353	608885308	/nfs/dbraw/zinc/88/53/08/608885308.db2.gz	BCMXZVPIJGFUIN-UHFFFAOYSA-N	-2	1	376.354	1.590	20	5		GDBDML
C[C@](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])(CC(=O)[O-])C(=O)[O-]	ZINC000837287885	655174310	/nfs/dbraw/zinc/17/43/10/655174310.db2.gz	KEJXODPPLRONSP-GFCCVEGCSA-N	-3	1	398.752	1.231	20	5		GDBDML
COC1(C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])CCC1	ZINC000844827080	655417721	/nfs/dbraw/zinc/41/77/21/655417721.db2.gz	XPWKTMDCAXGAQL-SNVBAGLBSA-N	-2	1	392.817	1.939	20	5		GDBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc([N+](=O)[O-])c1	ZINC000833300877	600691130	/nfs/dbraw/zinc/69/11/30/600691130.db2.gz	PCOTUPJTEGKVEL-UHFFFAOYSA-N	-2	1	390.337	1.070	20	5		GDBDML
Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000832970595	600741479	/nfs/dbraw/zinc/74/14/79/600741479.db2.gz	XKNANBMTOSKNRI-ZDUSSCGKSA-N	-2	1	379.394	1.520	20	5		GDBDML
CCN(CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000739433880	602552330	/nfs/dbraw/zinc/55/23/30/602552330.db2.gz	IJKVJGKVFKEDCP-UHFFFAOYSA-N	-2	1	396.219	1.636	20	5		GDBDML
CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837291427	655175403	/nfs/dbraw/zinc/17/54/03/655175403.db2.gz	DHVGIHGUFBBGCG-VIFPVBQESA-N	-2	1	398.796	1.934	20	5		GDBDML
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC001595201262	952312756	/nfs/dbraw/zinc/31/27/56/952312756.db2.gz	AERVMSXETRQSPB-OLQVQODUSA-N	-2	1	397.178	1.638	20	5		GDBDML
C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC001594568667	986372671	/nfs/dbraw/zinc/37/26/71/986372671.db2.gz	JZISNFCKHKMMPV-NSHDSACASA-N	-2	1	386.364	1.745	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)c([N+](=O)[O-])n1	ZINC000548596577	531512866	/nfs/dbraw/zinc/51/28/66/531512866.db2.gz	NVVAYZVNHYLNRD-NSHDSACASA-N	-2	1	388.789	1.569	20	5		GDBDML
C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000593274569	531826166	/nfs/dbraw/zinc/82/61/66/531826166.db2.gz	TZGVRWQZMQOIBD-SSDOTTSWSA-N	-2	1	393.215	1.889	20	5		GDBDML
CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1	ZINC000283536910	531873273	/nfs/dbraw/zinc/87/32/73/531873273.db2.gz	RYRWYUWSPPVAGO-UHFFFAOYSA-N	-2	1	387.399	1.469	20	5		GDBDML
O=C([O-])COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000833258981	601232287	/nfs/dbraw/zinc/23/22/87/601232287.db2.gz	FXEXWULZDIIIRV-UHFFFAOYSA-N	-3	1	396.333	1.557	20	5		GDBDML
C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])NC(=O)[O-]	ZINC000738904946	602315674	/nfs/dbraw/zinc/31/56/74/602315674.db2.gz	LFWRBUSXKWUZLD-SSDOTTSWSA-N	-2	1	396.219	1.682	20	5		GDBDML
O=C([O-])NC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000832522414	603141403	/nfs/dbraw/zinc/14/14/03/603141403.db2.gz	VSDJSLMDCWGPOD-MWLCHTKSSA-N	-2	1	375.378	1.839	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c1-c1nnn[n-]1	ZINC000823648331	607002865	/nfs/dbraw/zinc/00/28/65/607002865.db2.gz	UXVVKTQNWJCOPT-UHFFFAOYSA-N	-2	1	380.317	1.420	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c1-c1nn[n-]n1	ZINC000823648331	607002866	/nfs/dbraw/zinc/00/28/66/607002866.db2.gz	UXVVKTQNWJCOPT-UHFFFAOYSA-N	-2	1	380.317	1.420	20	5		GDBDML
CSc1cccc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1[N+](=O)[O-]	ZINC000487039391	647942318	/nfs/dbraw/zinc/94/23/18/647942318.db2.gz	DOQMMASBIRJKBF-UHFFFAOYSA-N	-2	1	389.440	1.792	20	5		GDBDML
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837287206	655174076	/nfs/dbraw/zinc/17/40/76/655174076.db2.gz	BWJVJJZYGURDKG-MWLCHTKSSA-N	-2	1	384.769	1.280	20	5		GDBDML
CC(C)(C)C[C@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000821249635	655425021	/nfs/dbraw/zinc/42/50/21/655425021.db2.gz	PPUQZICKLWNNJE-WDEREUQCSA-N	-2	1	394.833	1.777	20	5		GDBDML
CC(C)OC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000863416860	655870737	/nfs/dbraw/zinc/87/07/37/655870737.db2.gz	MYYWCOZYHWWVPV-VIFPVBQESA-N	-2	1	384.769	1.544	20	5		GDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1	ZINC000508220401	531768923	/nfs/dbraw/zinc/76/89/23/531768923.db2.gz	XUXGEDAWOCFRJF-UHFFFAOYSA-N	-2	1	387.395	1.057	20	5		GDBDML
O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000832481062	603131899	/nfs/dbraw/zinc/13/18/99/603131899.db2.gz	DPYDMYGOFMSLDH-PSASIEDQSA-N	-2	1	377.806	1.963	20	5		GDBDML
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000739214081	603154385	/nfs/dbraw/zinc/15/43/85/603154385.db2.gz	YDQGNABKYKVHLR-WCBMZHEXSA-N	-2	1	391.377	1.516	20	5		GDBDML
CCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000262693440	605012083	/nfs/dbraw/zinc/01/20/83/605012083.db2.gz	WOHOBNGDTGXLJH-QMMMGPOBSA-N	-2	1	381.204	1.889	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1-c1nnn[n-]1	ZINC000823646887	607154303	/nfs/dbraw/zinc/15/43/03/607154303.db2.gz	CGWOOAMFGCCWLT-UHFFFAOYSA-N	-2	1	382.308	1.854	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1-c1nn[n-]n1	ZINC000823646887	607154304	/nfs/dbraw/zinc/15/43/04/607154304.db2.gz	CGWOOAMFGCCWLT-UHFFFAOYSA-N	-2	1	382.308	1.854	20	5		GDBDML
O=C([O-])CCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826461370	608010688	/nfs/dbraw/zinc/01/06/88/608010688.db2.gz	RLACBUZLZQIDSC-UHFFFAOYSA-N	-2	1	398.401	1.088	20	5		GDBDML
CCc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)s1	ZINC000589550851	652114657	/nfs/dbraw/zinc/11/46/57/652114657.db2.gz	YNCAKMDVWCNIHD-UHFFFAOYSA-N	-2	1	386.411	1.494	20	5		GDBDML
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837287472	655173962	/nfs/dbraw/zinc/17/39/62/655173962.db2.gz	FEAQQMMEVTWFGS-SECBINFHSA-N	-2	1	382.753	1.488	20	5		GDBDML
O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837288754	655174537	/nfs/dbraw/zinc/17/45/37/655174537.db2.gz	QAKXSKNFIWLCEO-GMSGAONNSA-N	-2	1	396.780	1.545	20	5		GDBDML
O=C([O-])CSCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000274926250	532242961	/nfs/dbraw/zinc/24/29/61/532242961.db2.gz	BPXQFCKTBZZMGB-UHFFFAOYSA-N	-2	1	399.244	1.453	20	5		GDBDML
O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000740512375	601988860	/nfs/dbraw/zinc/98/88/60/601988860.db2.gz	LTISGAJLNLGMBK-SECBINFHSA-N	-2	1	377.806	1.917	20	5		GDBDML
C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739039096	601992099	/nfs/dbraw/zinc/99/20/99/601992099.db2.gz	MWPPCAPVAAGOTQ-NXEZZACHSA-N	-2	1	375.378	1.791	20	5		GDBDML
O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000740496540	602456416	/nfs/dbraw/zinc/45/64/16/602456416.db2.gz	GUFFWYTXIFMACP-VIFPVBQESA-N	-2	1	377.806	1.917	20	5		GDBDML
O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000826500322	609162134	/nfs/dbraw/zinc/16/21/34/609162134.db2.gz	UBVDEQQNWOUEIY-UHFFFAOYSA-N	-2	1	381.399	1.216	20	5		GDBDML
CO[C@@H](C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000594573434	652317192	/nfs/dbraw/zinc/31/71/92/652317192.db2.gz	OHRNDLXVHQCUMF-JQWIXIFHSA-N	-2	1	392.817	1.795	20	5		GDBDML
CCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000262636835	531125771	/nfs/dbraw/zinc/12/57/71/531125771.db2.gz	GLKFDAYRDUQZPW-QMMMGPOBSA-N	-2	1	381.204	1.889	20	5		GDBDML
O=C([O-])Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000819626097	597044606	/nfs/dbraw/zinc/04/46/06/597044606.db2.gz	HHHILJSCVARVBU-UHFFFAOYSA-N	-2	1	380.334	1.721	20	5		GDBDML
O=C([O-])NCCc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1	ZINC000832671542	603111865	/nfs/dbraw/zinc/11/18/65/603111865.db2.gz	CXXJWHXMFZGAFP-UHFFFAOYSA-N	-2	1	380.382	1.278	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(OC)cc2)c([N+](=O)[O-])n1	ZINC000614313106	604506186	/nfs/dbraw/zinc/50/61/86/604506186.db2.gz	UGRXAQRPEGJBLH-LBPRGKRZSA-N	-2	1	398.397	1.314	20	5		GDBDML
O=C([O-])[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000590603773	652135997	/nfs/dbraw/zinc/13/59/97/652135997.db2.gz	ZYDGHNMIHNPZAJ-LLVKDONJSA-N	-2	1	385.785	1.617	20	5		GDBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCOCC1	ZINC000776601637	654698835	/nfs/dbraw/zinc/69/88/35/654698835.db2.gz	BZALJLATZLKHDD-LLVKDONJSA-N	-2	1	376.362	1.282	20	5		GDBDML
C[C@@](CO)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000837293166	655176518	/nfs/dbraw/zinc/17/65/18/655176518.db2.gz	LBMFGELRECNBBZ-LBPRGKRZSA-N	-2	1	384.769	1.139	20	5		GDBDML
COC1(C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)[O-])CCC1	ZINC000844824045	655417573	/nfs/dbraw/zinc/41/75/73/655417573.db2.gz	AJWTUMWJZXMNDS-JTQLQIEISA-N	-2	1	376.362	1.425	20	5		GDBDML
CC(C)(C)C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000821249631	655425082	/nfs/dbraw/zinc/42/50/82/655425082.db2.gz	PPUQZICKLWNNJE-GHMZBOCLSA-N	-2	1	394.833	1.777	20	5		GDBDML
COc1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC001599417170	997530345	/nfs/dbraw/zinc/53/03/45/997530345.db2.gz	QRHPQXARFNCMEO-UHFFFAOYSA-N	-2	1	384.341	1.919	20	5		GDBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc([N+](=O)[O-])c1	ZINC000530714270	600688817	/nfs/dbraw/zinc/68/88/17/600688817.db2.gz	FRLGAUXMOJXTAE-UHFFFAOYSA-N	-2	1	393.333	1.425	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])n1	ZINC000579349964	604506056	/nfs/dbraw/zinc/50/60/56/604506056.db2.gz	UZTUBMWQYFDXSL-NSHDSACASA-N	-2	1	386.361	1.445	20	5		GDBDML
COCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821695744	607154407	/nfs/dbraw/zinc/15/44/07/607154407.db2.gz	GTTVAYVLPKTINC-UHFFFAOYSA-N	-2	1	390.381	1.722	20	5		GDBDML
COCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821695744	607154409	/nfs/dbraw/zinc/15/44/09/607154409.db2.gz	GTTVAYVLPKTINC-UHFFFAOYSA-N	-2	1	390.381	1.722	20	5		GDBDML
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cnc1Cl	ZINC000822210814	607155497	/nfs/dbraw/zinc/15/54/97/607155497.db2.gz	RYOQFWJXJPNWRU-UHFFFAOYSA-N	-2	1	395.788	1.933	20	5		GDBDML
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cnc1Cl	ZINC000822210814	607155499	/nfs/dbraw/zinc/15/54/99/607155499.db2.gz	RYOQFWJXJPNWRU-UHFFFAOYSA-N	-2	1	395.788	1.933	20	5		GDBDML
C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])co1	ZINC000544665928	650443725	/nfs/dbraw/zinc/44/37/25/650443725.db2.gz	WJCCPYYXHHHBCM-UHFFFAOYSA-N	-2	1	375.746	1.707	20	5		GDBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1	ZINC000776598663	654698398	/nfs/dbraw/zinc/69/83/98/654698398.db2.gz	CTZHXPZTLVLTBQ-NSHDSACASA-N	-2	1	392.817	1.796	20	5		GDBDML
O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1	ZINC000800024174	654869141	/nfs/dbraw/zinc/86/91/41/654869141.db2.gz	QGMGXNWLCDNZFE-UHFFFAOYSA-N	-2	1	379.188	1.643	20	5		GDBDML
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)c(Cl)c1	ZINC000823644755	655466308	/nfs/dbraw/zinc/46/63/08/655466308.db2.gz	MBUOOKFMTCEEJZ-UHFFFAOYSA-N	-2	1	387.790	1.686	20	5		GDBDML
O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000848680106	655498945	/nfs/dbraw/zinc/49/89/45/655498945.db2.gz	ABIXXJALSPSMHI-SSDOTTSWSA-N	-2	1	385.167	1.448	20	5		GDBDML
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)c1	ZINC000826272586	947792182	/nfs/dbraw/zinc/79/21/82/947792182.db2.gz	RANKRPJAOGNGMR-UHFFFAOYSA-N	-2	1	398.792	1.271	20	5		GDBDML
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc([N+](=O)[O-])c1	ZINC000852738481	955854162	/nfs/dbraw/zinc/85/41/62/955854162.db2.gz	ZLEJYZJNDMGDFN-VXGBXAGGSA-N	-2	1	375.303	1.691	20	5		GDBDML
C[C@@](Cn1cccn1)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001592925939	979945445	/nfs/dbraw/zinc/94/54/45/979945445.db2.gz	LGAJWZIJFJENEY-ZDUSSCGKSA-N	-2	1	388.789	1.267	20	5		GDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1	ZINC000833169121	601389514	/nfs/dbraw/zinc/38/95/14/601389514.db2.gz	FMZDJEICZAMNQQ-SNVBAGLBSA-N	-2	1	379.188	1.499	20	5		GDBDML
C[C@H](NC(=O)[O-])c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1	ZINC000825402077	604334195	/nfs/dbraw/zinc/33/41/95/604334195.db2.gz	HNZAQWARACQKBC-JTQLQIEISA-N	-2	1	380.382	1.797	20	5		GDBDML
Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000510106823	648316978	/nfs/dbraw/zinc/31/69/78/648316978.db2.gz	RRSZEWTVOZOJRD-UHFFFAOYSA-N	-2	1	386.407	1.813	20	5		GDBDML
CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837284778	655173483	/nfs/dbraw/zinc/17/34/83/655173483.db2.gz	PUAGVAPFQQLTDY-MRVPVSSYSA-N	-2	1	386.810	1.872	20	5		GDBDML
C[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000846768685	655460705	/nfs/dbraw/zinc/46/07/05/655460705.db2.gz	CLKBDUYMSSLFTI-RXMQYKEDSA-N	-2	1	385.167	1.495	20	5		GDBDML
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccccc1[N+](=O)[O-]	ZINC000852737536	969291104	/nfs/dbraw/zinc/29/11/04/969291104.db2.gz	TZYUZJSMCQHQOO-PWSUYJOCSA-N	-2	1	375.303	1.691	20	5		GDBDML
O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000278580650	531369963	/nfs/dbraw/zinc/36/99/63/531369963.db2.gz	DEMTXGLRQGCHDV-MRVPVSSYSA-N	-3	1	380.762	1.235	20	5		GDBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccc(F)cc1	ZINC000547887089	531499353	/nfs/dbraw/zinc/49/93/53/531499353.db2.gz	NMCSLVZMHUHDEU-JTQLQIEISA-N	-2	1	390.370	1.606	20	5		GDBDML
CC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000736864732	599983020	/nfs/dbraw/zinc/98/30/20/599983020.db2.gz	WRHSBRJOOMEESF-LLVKDONJSA-N	-2	1	381.204	1.889	20	5		GDBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc([N+](=O)[O-])c1	ZINC000485208851	600690592	/nfs/dbraw/zinc/69/05/92/600690592.db2.gz	OFLJHXSISWDNNN-UHFFFAOYSA-N	-2	1	377.334	1.588	20	5		GDBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1cccc(F)c1	ZINC000833164328	600741048	/nfs/dbraw/zinc/74/10/48/600741048.db2.gz	RGEKCTGDLQPMRX-NSHDSACASA-N	-2	1	383.357	1.351	20	5		GDBDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(F)c1	ZINC000833320898	601224758	/nfs/dbraw/zinc/22/47/58/601224758.db2.gz	YKVZYCRFPFAQBM-UHFFFAOYSA-N	-3	1	384.297	1.931	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1-c1nnn[n-]1	ZINC000823648408	607156004	/nfs/dbraw/zinc/15/60/04/607156004.db2.gz	WINOOGLUEABAKN-UHFFFAOYSA-N	-2	1	380.317	1.420	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1-c1nn[n-]n1	ZINC000823648408	607156005	/nfs/dbraw/zinc/15/60/05/607156005.db2.gz	WINOOGLUEABAKN-UHFFFAOYSA-N	-2	1	380.317	1.420	20	5		GDBDML
CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000614352176	652959827	/nfs/dbraw/zinc/95/98/27/652959827.db2.gz	DZDUTZVWEMKJLB-VIFPVBQESA-N	-2	1	395.231	1.992	20	5		GDBDML
O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837288755	655174500	/nfs/dbraw/zinc/17/45/00/655174500.db2.gz	QAKXSKNFIWLCEO-OIBJUYFYSA-N	-2	1	396.780	1.545	20	5		GDBDML
CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000848683338	655499260	/nfs/dbraw/zinc/49/92/60/655499260.db2.gz	SEJGVKMTUDOASI-JQWIXIFHSA-N	-2	1	392.817	1.795	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c([N+](=O)[O-])n1	ZINC000548266484	974463087	/nfs/dbraw/zinc/46/30/87/974463087.db2.gz	WTNFTUOGCLRVGT-CYBMUJFWSA-N	-2	1	382.398	1.532	20	5		GDBDML
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000831435482	600689840	/nfs/dbraw/zinc/68/98/40/600689840.db2.gz	YYWJRMKAOPSQRS-UHFFFAOYSA-N	-3	1	396.333	1.586	20	5		GDBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1	ZINC000484549992	600690533	/nfs/dbraw/zinc/69/05/33/600690533.db2.gz	DRGURFZLHTUDLY-UHFFFAOYSA-N	-2	1	380.334	1.865	20	5		GDBDML
Cn1cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C(=O)[O-]	ZINC000444420219	601605255	/nfs/dbraw/zinc/60/52/55/601605255.db2.gz	CYUHTBCRFUWWIG-UHFFFAOYSA-N	-2	1	391.365	1.822	20	5		GDBDML
O=C([O-])N1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000740496668	601987166	/nfs/dbraw/zinc/98/71/66/601987166.db2.gz	PJMFPBYJWDWWHJ-UHFFFAOYSA-N	-2	1	377.806	1.917	20	5		GDBDML
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cc1	ZINC000819833593	607153043	/nfs/dbraw/zinc/15/30/43/607153043.db2.gz	IDTBXJXFTILDKF-UHFFFAOYSA-N	-2	1	388.365	1.778	20	5		GDBDML
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1	ZINC000819833593	607153044	/nfs/dbraw/zinc/15/30/44/607153044.db2.gz	IDTBXJXFTILDKF-UHFFFAOYSA-N	-2	1	388.365	1.778	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1-c1nn[n-]n1	ZINC000823647535	607154293	/nfs/dbraw/zinc/15/42/93/607154293.db2.gz	LQDNKTPOWNTUDE-UHFFFAOYSA-N	-2	1	382.308	1.854	20	5		GDBDML
COc1ncc(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821920652	607155384	/nfs/dbraw/zinc/15/53/84/607155384.db2.gz	VRNZSMINHSYORO-UHFFFAOYSA-N	-2	1	391.369	1.288	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2scnc2C2CC2)c1-c1nnn[n-]1	ZINC000826499845	608095209	/nfs/dbraw/zinc/09/52/09/608095209.db2.gz	AKQBBECXACDAIA-UHFFFAOYSA-N	-2	1	393.410	1.910	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2scnc2C2CC2)c1-c1nn[n-]n1	ZINC000826499845	608095210	/nfs/dbraw/zinc/09/52/10/608095210.db2.gz	AKQBBECXACDAIA-UHFFFAOYSA-N	-2	1	393.410	1.910	20	5		GDBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1	ZINC000548593290	650557142	/nfs/dbraw/zinc/55/71/42/650557142.db2.gz	AUOSCPCIEPGBEU-NSHDSACASA-N	-2	1	392.817	1.796	20	5		GDBDML
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000591325653	531714701	/nfs/dbraw/zinc/71/47/01/531714701.db2.gz	PFYSIZDNTVSPDE-APPZFPTMSA-N	-2	1	393.215	1.889	20	5		GDBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c([N+](=O)[O-])c1	ZINC000740187464	600258528	/nfs/dbraw/zinc/25/85/28/600258528.db2.gz	MADBREBZVMXEAC-UHFFFAOYSA-N	-2	1	389.349	1.675	20	5		GDBDML
O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000832481064	603131963	/nfs/dbraw/zinc/13/19/63/603131963.db2.gz	DPYDMYGOFMSLDH-WCBMZHEXSA-N	-2	1	377.806	1.963	20	5		GDBDML
COCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000821696140	607154427	/nfs/dbraw/zinc/15/44/27/607154427.db2.gz	YESOYUCGSJCPHV-UHFFFAOYSA-N	-2	1	390.381	1.722	20	5		GDBDML
COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821783109	607154587	/nfs/dbraw/zinc/15/45/87/607154587.db2.gz	WQVDILUUOFLFRS-UHFFFAOYSA-N	-2	1	390.381	1.893	20	5		GDBDML
COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821783109	607154589	/nfs/dbraw/zinc/15/45/89/607154589.db2.gz	WQVDILUUOFLFRS-UHFFFAOYSA-N	-2	1	390.381	1.893	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1-c1nnn[n-]1	ZINC000823647689	607156120	/nfs/dbraw/zinc/15/61/20/607156120.db2.gz	OEPLHJOSHCCJFV-UHFFFAOYSA-N	-2	1	396.772	1.935	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1-c1nn[n-]n1	ZINC000823647689	607156121	/nfs/dbraw/zinc/15/61/21/607156121.db2.gz	OEPLHJOSHCCJFV-UHFFFAOYSA-N	-2	1	396.772	1.935	20	5		GDBDML
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-]	ZINC000590899898	652153108	/nfs/dbraw/zinc/15/31/08/652153108.db2.gz	XYPNMPRDKOEDPY-RNFRBKRXSA-N	-2	1	381.204	1.745	20	5		GDBDML
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H](C)C(=O)[O-]	ZINC000837290917	655175155	/nfs/dbraw/zinc/17/51/55/655175155.db2.gz	DIPZYMAGRVPHPK-NKWVEPMBSA-N	-2	1	381.204	1.745	20	5		GDBDML
Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000526061352	531305457	/nfs/dbraw/zinc/30/54/57/531305457.db2.gz	REWXEKFZBVREPB-JTQLQIEISA-N	-2	1	375.359	1.603	20	5		GDBDML
CO[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(F)(F)F	ZINC000414346814	531442195	/nfs/dbraw/zinc/44/21/95/531442195.db2.gz	QEYJFPYSGWESAJ-JTQLQIEISA-N	-2	1	386.304	1.539	20	5		GDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1	ZINC000547875064	599877272	/nfs/dbraw/zinc/87/72/72/599877272.db2.gz	UAVHBKLSRIJPHW-HNNXBMFYSA-N	-2	1	394.361	1.470	20	5		GDBDML
O=C([O-])CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1	ZINC000739685296	600537281	/nfs/dbraw/zinc/53/72/81/600537281.db2.gz	BGZFBJOEBJFLME-UHFFFAOYSA-N	-2	1	375.337	1.869	20	5		GDBDML
O=C([O-])CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1	ZINC000739777304	600629860	/nfs/dbraw/zinc/62/98/60/600629860.db2.gz	NCRWLJYOZRPAQP-UHFFFAOYSA-N	-2	1	380.338	1.487	20	5		GDBDML
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000832183453	601233764	/nfs/dbraw/zinc/23/37/64/601233764.db2.gz	ZXIFQCXPGBOOTN-UHFFFAOYSA-N	-2	1	396.333	1.801	20	5		GDBDML
C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1	ZINC000739039112	601992150	/nfs/dbraw/zinc/99/21/50/601992150.db2.gz	MWPPCAPVAAGOTQ-ZJUUUORDSA-N	-2	1	375.378	1.791	20	5		GDBDML
O=C([O-])NC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000832522413	603141523	/nfs/dbraw/zinc/14/15/23/603141523.db2.gz	VSDJSLMDCWGPOD-KOLCDFICSA-N	-2	1	375.378	1.839	20	5		GDBDML
O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000823392763	607154235	/nfs/dbraw/zinc/15/42/35/607154235.db2.gz	TZQORFYBVVFEPZ-UHFFFAOYSA-N	-3	1	390.337	1.274	20	5		GDBDML
COc1cccc(C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])c1	ZINC000614325891	652959811	/nfs/dbraw/zinc/95/98/11/652959811.db2.gz	OXCZYONEABBIIG-LLVKDONJSA-N	-2	1	386.407	1.639	20	5		GDBDML
Cc1nc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000776523190	654692478	/nfs/dbraw/zinc/69/24/78/654692478.db2.gz	JUSLZPRIAOGIFS-UHFFFAOYSA-N	-2	1	389.386	1.718	20	5		GDBDML
CC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776539270	654694053	/nfs/dbraw/zinc/69/40/53/654694053.db2.gz	OKGFGPBIKBXAHA-SSDOTTSWSA-N	-2	1	381.204	1.746	20	5		GDBDML
CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837287207	655173981	/nfs/dbraw/zinc/17/39/81/655173981.db2.gz	BWJVJJZYGURDKG-ONGXEEELSA-N	-2	1	384.769	1.280	20	5		GDBDML
O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000545123886	974425412	/nfs/dbraw/zinc/42/54/12/974425412.db2.gz	NOPILJCMCORVEY-UHFFFAOYSA-N	-3	1	380.334	1.721	20	5		GDBDML
COc1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC001599617745	994039244	/nfs/dbraw/zinc/03/92/44/994039244.db2.gz	ZOXMZVMSKRVIAQ-UHFFFAOYSA-N	-2	1	382.350	1.868	20	5		GDBDML
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)s1	ZINC000823285454	607322728	/nfs/dbraw/zinc/32/27/28/607322728.db2.gz	UBSGYOQDFROXMA-UHFFFAOYSA-N	-2	1	398.357	1.094	20	5		GDBDML
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)s1	ZINC000823285454	607322729	/nfs/dbraw/zinc/32/27/29/607322729.db2.gz	UBSGYOQDFROXMA-UHFFFAOYSA-N	-2	1	398.357	1.094	20	5		GDBDML
COC(=O)c1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc([N+](=O)[O-])c1	ZINC000737653204	600626840	/nfs/dbraw/zinc/62/68/40/600626840.db2.gz	YMJGSQRQUOHUHE-UHFFFAOYSA-N	-2	1	380.338	1.502	20	5		GDBDML
Cc1cc(Cl)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000826267563	607462018	/nfs/dbraw/zinc/46/20/18/607462018.db2.gz	KYQGAPSAHQHOQP-UHFFFAOYSA-N	-2	1	384.765	1.261	20	5		GDBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc([N+](=O)[O-])c1	ZINC000485208908	601234675	/nfs/dbraw/zinc/23/46/75/601234675.db2.gz	OQPBHRLQYPYBPE-UHFFFAOYSA-N	-2	1	389.345	1.935	20	5		GDBDML
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000471136012	602112731	/nfs/dbraw/zinc/11/27/31/602112731.db2.gz	HGIYFZWAERORJR-UHFFFAOYSA-N	-2	1	384.297	1.931	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)c([N+](=O)[O-])n1	ZINC000547876597	604507764	/nfs/dbraw/zinc/50/77/64/604507764.db2.gz	DUFZFDAWJZRWLX-LBPRGKRZSA-N	-2	1	382.398	1.696	20	5		GDBDML
CCc1noc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825776452	607847560	/nfs/dbraw/zinc/84/75/60/607847560.db2.gz	IQIHSVMNPLYNIP-UHFFFAOYSA-N	-2	1	379.358	1.435	20	5		GDBDML
CCc1noc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825776452	607847561	/nfs/dbraw/zinc/84/75/61/607847561.db2.gz	IQIHSVMNPLYNIP-UHFFFAOYSA-N	-2	1	379.358	1.435	20	5		GDBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1	ZINC000548593280	650557076	/nfs/dbraw/zinc/55/70/76/650557076.db2.gz	AUOSCPCIEPGBEU-LLVKDONJSA-N	-2	1	392.817	1.796	20	5		GDBDML
O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1	ZINC000794766367	655153686	/nfs/dbraw/zinc/15/36/86/655153686.db2.gz	HCPISUXIJHIEIJ-UHFFFAOYSA-N	-2	1	393.215	1.891	20	5		GDBDML
O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837288757	655174510	/nfs/dbraw/zinc/17/45/10/655174510.db2.gz	QAKXSKNFIWLCEO-XVKPBYJWSA-N	-2	1	396.780	1.545	20	5		GDBDML
CC(C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](O)C(=O)[O-]	ZINC001590878989	990788773	/nfs/dbraw/zinc/78/87/73/990788773.db2.gz	DBHRMORTRULGIM-VIFPVBQESA-N	-2	1	387.197	1.404	20	5		GDBDML
Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000526061353	531305363	/nfs/dbraw/zinc/30/53/63/531305363.db2.gz	REWXEKFZBVREPB-SNVBAGLBSA-N	-2	1	375.359	1.603	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C)c2ncc(C(=O)[O-])s2)c([N+](=O)[O-])n1	ZINC000563148476	531812588	/nfs/dbraw/zinc/81/25/88/531812588.db2.gz	VLYZFOMWYVNKHI-ZCFIWIBFSA-N	-2	1	375.388	1.005	20	5		GDBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)c1C	ZINC000822212812	607026191	/nfs/dbraw/zinc/02/61/91/607026191.db2.gz	IGVFECKTBNKQCX-UHFFFAOYSA-N	-2	1	381.399	1.649	20	5		GDBDML
Cc1c([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cnn1C	ZINC000530435842	649975593	/nfs/dbraw/zinc/97/55/93/649975593.db2.gz	AWEGHCSAGHZGFV-LBPRGKRZSA-N	-2	1	388.789	1.394	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(=O)[O-])cs2)c([N+](=O)[O-])n1	ZINC000594572864	652316086	/nfs/dbraw/zinc/31/60/86/652316086.db2.gz	COXMNRZHJZOYGQ-LURJTMIESA-N	-2	1	375.388	1.005	20	5		GDBDML
COc1ccc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1F	ZINC000776552149	654695022	/nfs/dbraw/zinc/69/50/22/654695022.db2.gz	OEENRYQSWZZFHG-LBPRGKRZSA-N	-2	1	390.370	1.908	20	5		GDBDML
COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n1	ZINC000783837732	654871091	/nfs/dbraw/zinc/87/10/91/654871091.db2.gz	OWKBPDLLOBUHKD-UHFFFAOYSA-N	-2	1	387.805	1.969	20	5		GDBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1	ZINC000515876038	531815154	/nfs/dbraw/zinc/81/51/54/531815154.db2.gz	HPEIXZMDUVUXBJ-UHFFFAOYSA-N	-2	1	383.367	1.816	20	5		GDBDML
Cc1c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cccc1S(N)(=O)=O	ZINC000326601560	532078124	/nfs/dbraw/zinc/07/81/24/532078124.db2.gz	IPAVYSSTDQWBPT-UHFFFAOYSA-N	-2	1	387.395	1.057	20	5		GDBDML
O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000275066956	532260569	/nfs/dbraw/zinc/26/05/69/532260569.db2.gz	VRDGRKOJKNHJMQ-CBAPKCEASA-N	-2	1	391.199	1.665	20	5		GDBDML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C(N)=O	ZINC000485215029	600690749	/nfs/dbraw/zinc/69/07/49/600690749.db2.gz	ZQQFCQWSZOQISI-UHFFFAOYSA-N	-2	1	379.350	1.501	20	5		GDBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccc(F)cc1	ZINC000547887090	650518386	/nfs/dbraw/zinc/51/83/86/650518386.db2.gz	NMCSLVZMHUHDEU-SNVBAGLBSA-N	-2	1	390.370	1.606	20	5		GDBDML
CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000614352175	652959836	/nfs/dbraw/zinc/95/98/36/652959836.db2.gz	DZDUTZVWEMKJLB-SECBINFHSA-N	-2	1	395.231	1.992	20	5		GDBDML
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)cc1F	ZINC001594330053	958210603	/nfs/dbraw/zinc/21/06/03/958210603.db2.gz	YHGZFZDYATVVGL-UHFFFAOYSA-N	-2	1	376.362	1.202	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])n1	ZINC000564926380	974559420	/nfs/dbraw/zinc/55/94/20/974559420.db2.gz	ICCYXVDLIFXYBV-NSHDSACASA-N	-2	1	386.361	1.097	20	5		GDBDML
O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000776625466	978761674	/nfs/dbraw/zinc/76/16/74/978761674.db2.gz	HAQJXDWEJKCHHT-LBPRGKRZSA-N	-2	1	386.332	1.847	20	5		GDBDML
CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000285033093	532020980	/nfs/dbraw/zinc/02/09/80/532020980.db2.gz	IORNQQHJUVOYIX-VIFPVBQESA-N	-2	1	380.806	1.795	20	5		GDBDML
C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000274931529	532243724	/nfs/dbraw/zinc/24/37/24/532243724.db2.gz	COGQQALCFJUFOH-SSDOTTSWSA-N	-2	1	381.204	1.889	20	5		GDBDML
O=C([O-])COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000833262437	601232590	/nfs/dbraw/zinc/23/25/90/601232590.db2.gz	UTBNOJCTCIBVCF-UHFFFAOYSA-N	-2	1	396.333	1.557	20	5		GDBDML
O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000832482682	603132193	/nfs/dbraw/zinc/13/21/93/603132193.db2.gz	PAURWRUMIQUHMZ-SCZZXKLOSA-N	-2	1	377.806	1.963	20	5		GDBDML
Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1O	ZINC000822328926	607155974	/nfs/dbraw/zinc/15/59/74/607155974.db2.gz	VNODXSMPQBPPGE-UHFFFAOYSA-N	-2	1	376.354	1.590	20	5		GDBDML
Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1O	ZINC000822328926	607155975	/nfs/dbraw/zinc/15/59/75/607155975.db2.gz	VNODXSMPQBPPGE-UHFFFAOYSA-N	-2	1	376.354	1.590	20	5		GDBDML
Cc1c(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000852734767	955842468	/nfs/dbraw/zinc/84/24/68/955842468.db2.gz	CZQNDLXOSWJMQN-AAEUAGOBSA-N	-2	1	389.330	1.999	20	5		GDBDML
C[C@@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC001592217185	977288315	/nfs/dbraw/zinc/28/83/15/977288315.db2.gz	NKOKTLPDBAFSCP-SZKDQXIBSA-N	-2	1	397.178	1.804	20	5		GDBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c[nH]1	ZINC000833304357	601605934	/nfs/dbraw/zinc/60/59/34/601605934.db2.gz	ZZFFKMBIAGXOJL-UHFFFAOYSA-N	-2	1	377.338	1.812	20	5		GDBDML
CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1[O-]	ZINC000825890648	602201493	/nfs/dbraw/zinc/20/14/93/602201493.db2.gz	QORGHBTXDCQCKD-UHFFFAOYSA-N	-2	1	395.349	1.758	20	5		GDBDML
CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1O	ZINC000825890648	602201494	/nfs/dbraw/zinc/20/14/94/602201494.db2.gz	QORGHBTXDCQCKD-UHFFFAOYSA-N	-2	1	395.349	1.758	20	5		GDBDML
CN(CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000739701750	602317367	/nfs/dbraw/zinc/31/73/67/602317367.db2.gz	WLCWFOUSSSHBPM-UHFFFAOYSA-N	-2	1	382.192	1.245	20	5		GDBDML
Cc1ccc(O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000822258710	607156091	/nfs/dbraw/zinc/15/60/91/607156091.db2.gz	ARMNTVVPRYNSPI-UHFFFAOYSA-N	-2	1	376.354	1.590	20	5		GDBDML
Cc1ccc(O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000822258710	607156092	/nfs/dbraw/zinc/15/60/92/607156092.db2.gz	ARMNTVVPRYNSPI-UHFFFAOYSA-N	-2	1	376.354	1.590	20	5		GDBDML
O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548202632	650534449	/nfs/dbraw/zinc/53/44/49/650534449.db2.gz	KKXOMXSNJTYNLC-WPRPVWTQSA-N	-2	1	378.790	1.406	20	5		GDBDML
O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548202631	650534464	/nfs/dbraw/zinc/53/44/64/650534464.db2.gz	KKXOMXSNJTYNLC-WCBMZHEXSA-N	-2	1	378.790	1.406	20	5		GDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000837286059	655173825	/nfs/dbraw/zinc/17/38/25/655173825.db2.gz	DWHKAIWBULKQCH-UPONEAKYSA-N	-2	1	382.753	1.155	20	5		GDBDML
C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1ccccc1F	ZINC001593430874	995246317	/nfs/dbraw/zinc/24/63/17/995246317.db2.gz	BHKUCFWRTQISPX-VFZGTOFNSA-N	-2	1	398.368	1.833	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)c([N+](=O)[O-])n1	ZINC000530526097	531397287	/nfs/dbraw/zinc/39/72/87/531397287.db2.gz	ZJYNHVYGHZTPMO-LLVKDONJSA-N	-2	1	388.789	1.569	20	5		GDBDML
CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000285104829	532031668	/nfs/dbraw/zinc/03/16/68/532031668.db2.gz	MIJHDLHAGYEZOG-VIFPVBQESA-N	-2	1	380.806	1.795	20	5		GDBDML
O=C([O-])CCCOc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1	ZINC000833227184	600750052	/nfs/dbraw/zinc/75/00/52/600750052.db2.gz	CAFNLLHIVCVUJQ-UHFFFAOYSA-N	-2	1	395.393	1.712	20	5		GDBDML
O=C([O-])c1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc([N+](=O)[O-])c1	ZINC000432199329	601224249	/nfs/dbraw/zinc/22/42/49/601224249.db2.gz	WTDUQGRWDRDGPN-UHFFFAOYSA-N	-2	1	384.297	1.931	20	5		GDBDML
CC(C)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000833470949	605636010	/nfs/dbraw/zinc/63/60/10/605636010.db2.gz	DGFGZBLEBGGBAO-OAHLLOKOSA-N	-2	1	394.380	1.805	20	5		GDBDML
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1	ZINC000826450449	609404504	/nfs/dbraw/zinc/40/45/04/609404504.db2.gz	MZYFBBNBYUCEAG-UHFFFAOYSA-N	-2	1	398.357	1.094	20	5		GDBDML
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1	ZINC000826450449	609404506	/nfs/dbraw/zinc/40/45/06/609404506.db2.gz	MZYFBBNBYUCEAG-UHFFFAOYSA-N	-2	1	398.357	1.094	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@](C)(CCC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000551245388	650602965	/nfs/dbraw/zinc/60/29/65/650602965.db2.gz	GGIWTMOJXKCDMX-CQSZACIVSA-N	-2	1	376.435	1.759	20	5		GDBDML
CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000261742184	645116867	/nfs/dbraw/zinc/11/68/67/645116867.db2.gz	UZBGKFBUQSYFLJ-SNVBAGLBSA-N	-2	1	381.204	1.745	20	5		GDBDML
CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000616035303	652967242	/nfs/dbraw/zinc/96/72/42/652967242.db2.gz	MEUHITLVQSMVEV-QMMMGPOBSA-N	-2	1	397.203	1.125	20	5		GDBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1	ZINC000776598662	654698353	/nfs/dbraw/zinc/69/83/53/654698353.db2.gz	CTZHXPZTLVLTBQ-LLVKDONJSA-N	-2	1	392.817	1.796	20	5		GDBDML
O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837293793	655176534	/nfs/dbraw/zinc/17/65/34/655176534.db2.gz	PEJAJDOXNBPEOB-MRVPVSSYSA-N	-3	1	398.752	1.374	20	5		GDBDML
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc([N+](=O)[O-])c1	ZINC000852738477	955854106	/nfs/dbraw/zinc/85/41/06/955854106.db2.gz	ZLEJYZJNDMGDFN-NWDGAFQWSA-N	-2	1	375.303	1.691	20	5		GDBDML
CC(C)c1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])s1	ZINC000582060342	531532748	/nfs/dbraw/zinc/53/27/48/531532748.db2.gz	DGUYUBSLRQTKQT-UHFFFAOYSA-N	-2	1	386.411	1.746	20	5		GDBDML
C[C@@]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])(C(=O)[O-])C1CC1	ZINC000736664703	600240424	/nfs/dbraw/zinc/24/04/24/600240424.db2.gz	QWPZQXWJOFHHRR-LBPRGKRZSA-N	-2	1	393.215	1.889	20	5		GDBDML
CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000738751979	602317077	/nfs/dbraw/zinc/31/70/77/602317077.db2.gz	GSILFJWBBBGQIX-UHFFFAOYSA-N	-2	1	396.219	1.682	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@](CC)(C(=O)[O-])c2ccccc2)c([N+](=O)[O-])n1	ZINC000566007919	604507116	/nfs/dbraw/zinc/50/71/16/604507116.db2.gz	ZMOIXFMDGWUHEJ-OAHLLOKOSA-N	-2	1	382.398	1.480	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)c([N+](=O)[O-])n1	ZINC000614337307	604507435	/nfs/dbraw/zinc/50/74/35/604507435.db2.gz	IOSNMXNXQNEDPD-LLVKDONJSA-N	-2	1	390.324	1.194	20	5		GDBDML
COc1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-]	ZINC000821845139	607026001	/nfs/dbraw/zinc/02/60/01/607026001.db2.gz	BJYUFCWCHTYUIU-UHFFFAOYSA-N	-2	1	383.371	1.041	20	5		GDBDML
COc1ccc([C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1F	ZINC000776552146	654695042	/nfs/dbraw/zinc/69/50/42/654695042.db2.gz	OEENRYQSWZZFHG-GFCCVEGCSA-N	-2	1	390.370	1.908	20	5		GDBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1	ZINC000432207678	974092269	/nfs/dbraw/zinc/09/22/69/974092269.db2.gz	IUTQUMYPLWRYBI-UHFFFAOYSA-N	-3	1	384.297	1.931	20	5		GDBDML
COC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccc(C)o1	ZINC000564921516	974558053	/nfs/dbraw/zinc/55/80/53/974558053.db2.gz	YUMZVJZRRHCQIB-GFCCVEGCSA-N	-2	1	384.366	1.860	20	5		GDBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000047293462	530657590	/nfs/dbraw/zinc/65/75/90/530657590.db2.gz	VJFOSHPLUIXLDG-UHFFFAOYSA-N	-2	1	377.791	1.724	20	5		GDBDML
COC(=O)c1cc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc([N+](=O)[O-])c1	ZINC000737648304	600541938	/nfs/dbraw/zinc/54/19/38/600541938.db2.gz	DLBRKNVDEYCACH-UHFFFAOYSA-N	-2	1	394.365	1.893	20	5		GDBDML
C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000738922154	602707769	/nfs/dbraw/zinc/70/77/69/602707769.db2.gz	BHVYMORWWCGVTA-ZDUSSCGKSA-N	-2	1	377.806	1.963	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-]CCc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])n1	ZINC000833683778	604508233	/nfs/dbraw/zinc/50/82/33/604508233.db2.gz	XQBLRJHPTXZNKU-UHFFFAOYSA-N	-2	1	383.386	1.422	20	5		GDBDML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2)[n-]1	ZINC000833775276	604818991	/nfs/dbraw/zinc/81/89/91/604818991.db2.gz	AHGJOFOCGMAMOQ-UHFFFAOYSA-N	-3	1	398.331	1.659	20	5		GDBDML
O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1	ZINC000542860636	650414542	/nfs/dbraw/zinc/41/45/42/650414542.db2.gz	KFNRRPXCBHWBSJ-UHFFFAOYSA-N	-2	1	385.785	1.862	20	5		GDBDML
O=C([O-])C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000548536412	650549954	/nfs/dbraw/zinc/54/99/54/650549954.db2.gz	SMYWAGYUNSWHRR-ZCFIWIBFSA-N	-2	1	387.153	1.108	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C)c2nc(C)c(C(=O)[O-])s2)c([N+](=O)[O-])n1	ZINC000575865840	651610291	/nfs/dbraw/zinc/61/02/91/651610291.db2.gz	VRYOQIDQXCYOSA-SSDOTTSWSA-N	-2	1	389.415	1.314	20	5		GDBDML
O=C([O-])[C@]1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOC1	ZINC000849231401	655520879	/nfs/dbraw/zinc/52/08/79/655520879.db2.gz	CYBOWAQMJSPXOZ-NSHDSACASA-N	-2	1	385.181	1.424	20	5		GDBDML
Cc1c(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000852734770	955842028	/nfs/dbraw/zinc/84/20/28/955842028.db2.gz	CZQNDLXOSWJMQN-WCQYABFASA-N	-2	1	389.330	1.999	20	5		GDBDML
CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000029045007	530593676	/nfs/dbraw/zinc/59/36/76/530593676.db2.gz	HHUZJZSEVFMFCF-UHFFFAOYSA-N	-2	1	387.395	1.009	20	5		GDBDML
COc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000737969918	599798846	/nfs/dbraw/zinc/79/88/46/599798846.db2.gz	MQPJPGPCXJQANS-CYBMUJFWSA-N	-2	1	384.341	1.847	20	5		GDBDML
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1	ZINC000438719256	600688821	/nfs/dbraw/zinc/68/88/21/600688821.db2.gz	CKSCYZJMGAVLLR-UHFFFAOYSA-N	-2	1	380.334	1.880	20	5		GDBDML
O=C([O-])N1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000740496954	601987111	/nfs/dbraw/zinc/98/71/11/601987111.db2.gz	QVFMQVPXBIUYFN-UHFFFAOYSA-N	-2	1	377.806	1.917	20	5		GDBDML
O=C([O-])NC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000832522415	603141328	/nfs/dbraw/zinc/14/13/28/603141328.db2.gz	VSDJSLMDCWGPOD-ONGXEEELSA-N	-2	1	375.378	1.839	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])Cc2ccccc2)c([N+](=O)[O-])n1	ZINC000484867176	605027725	/nfs/dbraw/zinc/02/77/25/605027725.db2.gz	NPJVUQDMJDYJGX-ZDUSSCGKSA-N	-2	1	396.425	1.566	20	5		GDBDML
Cc1c([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cnn1C	ZINC000530435841	649975615	/nfs/dbraw/zinc/97/56/15/649975615.db2.gz	AWEGHCSAGHZGFV-GFCCVEGCSA-N	-2	1	388.789	1.394	20	5		GDBDML
CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)(C(=O)[O-])C1(C)C	ZINC000547700631	650512389	/nfs/dbraw/zinc/51/23/89/650512389.db2.gz	BCFPQPIUOWPPLR-OQPBUACISA-N	-2	1	378.428	1.593	20	5		GDBDML
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000591740970	652164632	/nfs/dbraw/zinc/16/46/32/652164632.db2.gz	DJMJHSGGVMYNSZ-FKQCQYRASA-N	-2	1	379.188	1.499	20	5		GDBDML
CC(C)(C)C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000821262473	655425491	/nfs/dbraw/zinc/42/54/91/655425491.db2.gz	VAVVRAIMNJQYHW-JQWIXIFHSA-N	-2	1	394.833	1.777	20	5		GDBDML
COc1cc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-]	ZINC000821728684	655433886	/nfs/dbraw/zinc/43/38/86/655433886.db2.gz	YIUJRAUTELLNQX-UHFFFAOYSA-N	-2	1	383.371	1.041	20	5		GDBDML
CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000848683339	655499284	/nfs/dbraw/zinc/49/92/84/655499284.db2.gz	SEJGVKMTUDOASI-PWSUYJOCSA-N	-2	1	392.817	1.795	20	5		GDBDML
O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000853068452	655631043	/nfs/dbraw/zinc/63/10/43/655631043.db2.gz	AXLSKRQEINORHL-SECBINFHSA-N	-2	1	391.199	1.809	20	5		GDBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)s1	ZINC000822212878	945996882	/nfs/dbraw/zinc/99/68/82/945996882.db2.gz	LLIINLPNVBEDAR-UHFFFAOYSA-N	-2	1	394.394	1.264	20	5		GDBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000822212878	945996891	/nfs/dbraw/zinc/99/68/91/945996891.db2.gz	LLIINLPNVBEDAR-UHFFFAOYSA-N	-2	1	394.394	1.264	20	5		GDBDML
Cc1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001594360289	958442721	/nfs/dbraw/zinc/44/27/21/958442721.db2.gz	SUZVXNVMIFSTEQ-DGCLKSJQSA-N	-2	1	389.330	1.999	20	5		GDBDML
Cc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001594360291	958443014	/nfs/dbraw/zinc/44/30/14/958443014.db2.gz	SUZVXNVMIFSTEQ-WCQYABFASA-N	-2	1	389.330	1.999	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(C)cc(C)c2)c([N+](=O)[O-])n1	ZINC000548266485	974463163	/nfs/dbraw/zinc/46/31/63/974463163.db2.gz	WTNFTUOGCLRVGT-ZDUSSCGKSA-N	-2	1	382.398	1.532	20	5		GDBDML
C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000593274571	531825588	/nfs/dbraw/zinc/82/55/88/531825588.db2.gz	TZGVRWQZMQOIBD-ZETCQYMHSA-N	-2	1	393.215	1.889	20	5		GDBDML
CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275166376	532272220	/nfs/dbraw/zinc/27/22/20/532272220.db2.gz	BHTFZDLLHFVMGJ-UHFFFAOYSA-N	-2	1	381.204	1.746	20	5		GDBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1	ZINC000432204694	601233577	/nfs/dbraw/zinc/23/35/77/601233577.db2.gz	VEBGTTIPOWBZOE-UHFFFAOYSA-N	-2	1	384.297	1.931	20	5		GDBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000833169539	601389642	/nfs/dbraw/zinc/38/96/42/601389642.db2.gz	SVQXABXLGAHUCI-SNVBAGLBSA-N	-2	1	379.188	1.499	20	5		GDBDML
O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000740497988	602456442	/nfs/dbraw/zinc/45/64/42/602456442.db2.gz	PSNFQJRGJGQDSX-SECBINFHSA-N	-2	1	377.806	1.917	20	5		GDBDML
O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000832481063	603131856	/nfs/dbraw/zinc/13/18/56/603131856.db2.gz	DPYDMYGOFMSLDH-SCZZXKLOSA-N	-2	1	377.806	1.963	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-]C[C@H](Cc2cccc(C)c2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548213917	604506990	/nfs/dbraw/zinc/50/69/90/604506990.db2.gz	DHWIFRPCHLLOQE-ZDUSSCGKSA-N	-2	1	396.425	1.341	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2)c([N+](=O)[O-])n1	ZINC000583059771	604507039	/nfs/dbraw/zinc/50/70/39/604507039.db2.gz	TVWOAIXFVKFDLQ-NSHDSACASA-N	-2	1	388.789	1.569	20	5		GDBDML
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1	ZINC000823285589	606177034	/nfs/dbraw/zinc/17/70/34/606177034.db2.gz	XFHLGSGXPPCVKN-UHFFFAOYSA-N	-2	1	398.357	1.094	20	5		GDBDML
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1	ZINC000823285589	606177035	/nfs/dbraw/zinc/17/70/35/606177035.db2.gz	XFHLGSGXPPCVKN-UHFFFAOYSA-N	-2	1	398.357	1.094	20	5		GDBDML
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000822010239	606281893	/nfs/dbraw/zinc/28/18/93/606281893.db2.gz	UNBWYNPRUDWGPQ-UHFFFAOYSA-N	-2	1	399.367	1.769	20	5		GDBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000822212966	607025789	/nfs/dbraw/zinc/02/57/89/607025789.db2.gz	OTOCQEYXMGMHFJ-UHFFFAOYSA-N	-2	1	381.399	1.649	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1-c1nn[n-]n1	ZINC000823647903	607154169	/nfs/dbraw/zinc/15/41/69/607154169.db2.gz	PSVNXIKCRWZHSZ-UHFFFAOYSA-N	-2	1	386.353	1.452	20	5		GDBDML
O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000594574164	652318275	/nfs/dbraw/zinc/31/82/75/652318275.db2.gz	YJQVKJMTGFQZJN-SSDOTTSWSA-N	-2	1	385.167	1.448	20	5		GDBDML
O=C([O-])[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000821252693	655425205	/nfs/dbraw/zinc/42/52/05/655425205.db2.gz	YNSDPKUEMPXLFA-LLVKDONJSA-N	-2	1	385.785	1.617	20	5		GDBDML
C[C@](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])(CC(=O)[O-])C(=O)[O-]	ZINC000548594126	531513191	/nfs/dbraw/zinc/51/31/91/531513191.db2.gz	GGJSDFUTSLPUER-GFCCVEGCSA-N	-3	1	380.762	1.092	20	5		GDBDML
CO[C@@H](CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C(F)(F)F	ZINC000582126128	531535233	/nfs/dbraw/zinc/53/52/33/531535233.db2.gz	RPKLSITYAWPOJK-VIFPVBQESA-N	-2	1	386.304	1.539	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ncc(C(=O)[O-])s2)c([N+](=O)[O-])n1	ZINC000563148475	531811913	/nfs/dbraw/zinc/81/19/13/531811913.db2.gz	VLYZFOMWYVNKHI-LURJTMIESA-N	-2	1	375.388	1.005	20	5		GDBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1	ZINC000776576224	601613757	/nfs/dbraw/zinc/61/37/57/601613757.db2.gz	XAIGKQBDBJGKIT-VIFPVBQESA-N	-2	1	393.215	1.889	20	5		GDBDML
O=C([O-])Cc1nc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n[nH]1	ZINC000833270756	601632171	/nfs/dbraw/zinc/63/21/71/601632171.db2.gz	ZWWUAJYKAGMYCG-UHFFFAOYSA-N	-2	1	388.109	1.494	20	5		GDBDML
CN(CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000739700450	602316210	/nfs/dbraw/zinc/31/62/10/602316210.db2.gz	FJENWFIIRDJIPW-UHFFFAOYSA-N	-2	1	382.192	1.245	20	5		GDBDML
Cc1c([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cnn1C	ZINC000788693653	655003722	/nfs/dbraw/zinc/00/37/22/655003722.db2.gz	MGBGEOKHTYISIH-LBPRGKRZSA-N	-2	1	388.789	1.394	20	5		GDBDML
C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000844822891	655417402	/nfs/dbraw/zinc/41/74/02/655417402.db2.gz	XBTZKELLJMNDCQ-SSDOTTSWSA-N	-2	1	393.215	1.889	20	5		GDBDML
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC001595202697	952315991	/nfs/dbraw/zinc/31/59/91/952315991.db2.gz	AERVMSXETRQSPB-IZLXSQMJSA-N	-2	1	397.178	1.638	20	5		GDBDML
O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000297326468	531781655	/nfs/dbraw/zinc/78/16/55/531781655.db2.gz	XHBNNQRRESOBMP-UHFFFAOYSA-N	-2	1	379.188	1.500	20	5		GDBDML
Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)ccc1C(=O)[O-]	ZINC000506705901	600887709	/nfs/dbraw/zinc/88/77/09/600887709.db2.gz	HMKQTBTWHDNPFJ-UHFFFAOYSA-N	-2	1	395.393	1.806	20	5		GDBDML
CCc1ccc(O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000821486244	607155081	/nfs/dbraw/zinc/15/50/81/607155081.db2.gz	AMQGNCNXYAFKSG-UHFFFAOYSA-N	-2	1	390.381	1.844	20	5		GDBDML
CCc1ccc(O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000821486244	607155083	/nfs/dbraw/zinc/15/50/83/607155083.db2.gz	AMQGNCNXYAFKSG-UHFFFAOYSA-N	-2	1	390.381	1.844	20	5		GDBDML
O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1	ZINC000585819444	652089629	/nfs/dbraw/zinc/08/96/29/652089629.db2.gz	YABQXBCMFDAXJP-UHFFFAOYSA-N	-2	1	393.215	1.891	20	5		GDBDML
CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837287204	655173936	/nfs/dbraw/zinc/17/39/36/655173936.db2.gz	BWJVJJZYGURDKG-GXSJLCMTSA-N	-2	1	384.769	1.280	20	5		GDBDML
O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1	ZINC000837290027	655174787	/nfs/dbraw/zinc/17/47/87/655174787.db2.gz	LIFXYUSIDHEQIR-UHFFFAOYSA-N	-2	1	396.780	1.547	20	5		GDBDML
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-]	ZINC000837290920	655175215	/nfs/dbraw/zinc/17/52/15/655175215.db2.gz	DIPZYMAGRVPHPK-RNFRBKRXSA-N	-2	1	381.204	1.745	20	5		GDBDML
O=C([O-])[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000821252697	655425263	/nfs/dbraw/zinc/42/52/63/655425263.db2.gz	YNSDPKUEMPXLFA-NSHDSACASA-N	-2	1	385.785	1.617	20	5		GDBDML
C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC001594568661	986372483	/nfs/dbraw/zinc/37/24/83/986372483.db2.gz	JZISNFCKHKMMPV-LLVKDONJSA-N	-2	1	386.364	1.745	20	5		GDBDML
Cc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)sc1C(=O)[O-]	ZINC000547877594	531497808	/nfs/dbraw/zinc/49/78/08/531497808.db2.gz	QTAXIEAIMDNJAW-UHFFFAOYSA-N	-2	1	377.425	1.906	20	5		GDBDML
O=C([O-])Cc1nc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n[nH]1	ZINC000739910164	600534928	/nfs/dbraw/zinc/53/49/28/600534928.db2.gz	MFGQVCYWKCQVMG-UHFFFAOYSA-N	-2	1	389.246	1.533	20	5		GDBDML
O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000832482681	603132178	/nfs/dbraw/zinc/13/21/78/603132178.db2.gz	PAURWRUMIQUHMZ-PSASIEDQSA-N	-2	1	377.806	1.963	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548590245	604507744	/nfs/dbraw/zinc/50/77/44/604507744.db2.gz	RXPUPSCIQQZCFJ-GWCFXTLKSA-N	-2	1	382.398	1.552	20	5		GDBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1-c1nn[n-]n1	ZINC000823646930	607154490	/nfs/dbraw/zinc/15/44/90/607154490.db2.gz	DECMLVNWMDOXDF-UHFFFAOYSA-N	-2	1	398.364	1.519	20	5		GDBDML
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000823648629	607155087	/nfs/dbraw/zinc/15/50/87/607155087.db2.gz	ZMWURRMGICYAPC-UHFFFAOYSA-N	-2	1	391.325	1.484	20	5		GDBDML
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000823648629	607155089	/nfs/dbraw/zinc/15/50/89/607155089.db2.gz	ZMWURRMGICYAPC-UHFFFAOYSA-N	-2	1	391.325	1.484	20	5		GDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCC1	ZINC000614358628	652959877	/nfs/dbraw/zinc/95/98/77/652959877.db2.gz	ABHVIGHAOLNUJI-NSHDSACASA-N	-2	1	393.215	1.889	20	5		GDBDML
C[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776589442	654697728	/nfs/dbraw/zinc/69/77/28/654697728.db2.gz	XTURGTNWUAHMGO-SSDOTTSWSA-N	-2	1	381.204	1.746	20	5		GDBDML
COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837289356	655174770	/nfs/dbraw/zinc/17/47/70/655174770.db2.gz	ZBGDGKRWWWTOEK-QMMMGPOBSA-N	-2	1	398.752	1.072	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])n1	ZINC000560888879	953586931	/nfs/dbraw/zinc/58/69/31/953586931.db2.gz	MECSKLJDGNZATJ-RYUDHWBXSA-N	-2	1	380.382	1.403	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-]C[C@](C)(C(=O)[O-])c2ccccc2)c([N+](=O)[O-])n1	ZINC000593219996	953750037	/nfs/dbraw/zinc/75/00/37/953750037.db2.gz	CBZWCMDAJGOGTO-HNNXBMFYSA-N	-2	1	382.398	1.132	20	5		GDBDML
O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000580754941	974898612	/nfs/dbraw/zinc/89/86/12/974898612.db2.gz	CGQRTEYOUNXIKE-ZDUSSCGKSA-N	-2	1	379.394	1.744	20	5		GDBDML
C[C@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC001592217186	977288089	/nfs/dbraw/zinc/28/80/89/977288089.db2.gz	NKOKTLPDBAFSCP-VROIDLATSA-N	-2	1	397.178	1.804	20	5		GDBDML
COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC001599218384	997623108	/nfs/dbraw/zinc/62/31/08/997623108.db2.gz	HDLQZXFBHLWARP-MRVPVSSYSA-N	-2	1	387.197	1.670	20	5		GDBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1	ZINC000776576223	601613826	/nfs/dbraw/zinc/61/38/26/601613826.db2.gz	XAIGKQBDBJGKIT-SECBINFHSA-N	-2	1	393.215	1.889	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])n1	ZINC000579349963	604506014	/nfs/dbraw/zinc/50/60/14/604506014.db2.gz	UZTUBMWQYFDXSL-LLVKDONJSA-N	-2	1	386.361	1.445	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(OC)cc2)c([N+](=O)[O-])n1	ZINC000614313105	604506321	/nfs/dbraw/zinc/50/63/21/604506321.db2.gz	UGRXAQRPEGJBLH-GFCCVEGCSA-N	-2	1	398.397	1.314	20	5		GDBDML
CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000261742183	645116817	/nfs/dbraw/zinc/11/68/17/645116817.db2.gz	UZBGKFBUQSYFLJ-JTQLQIEISA-N	-2	1	381.204	1.745	20	5		GDBDML
CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837284779	655173591	/nfs/dbraw/zinc/17/35/91/655173591.db2.gz	PUAGVAPFQQLTDY-QMMMGPOBSA-N	-2	1	386.810	1.872	20	5		GDBDML
O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1	ZINC000849232705	655521017	/nfs/dbraw/zinc/52/10/17/655521017.db2.gz	QMXRUOOZIAFZDJ-LLVKDONJSA-N	-2	1	385.181	1.424	20	5		GDBDML
CC[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001595171705	979737859	/nfs/dbraw/zinc/73/78/59/979737859.db2.gz	MLGRSQONMZRHMZ-SSDOTTSWSA-N	-2	1	381.204	1.746	20	5		GDBDML
C[C@@](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])(CC(=O)[O-])C(=O)[O-]	ZINC000548594134	531513101	/nfs/dbraw/zinc/51/31/01/531513101.db2.gz	GGJSDFUTSLPUER-LBPRGKRZSA-N	-3	1	380.762	1.092	20	5		GDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1	ZINC000508209055	531767426	/nfs/dbraw/zinc/76/74/26/531767426.db2.gz	ATPHKSPWOYAREH-UHFFFAOYSA-N	-2	1	386.407	1.813	20	5		GDBDML
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000274931531	532243475	/nfs/dbraw/zinc/24/34/75/532243475.db2.gz	COGQQALCFJUFOH-ZETCQYMHSA-N	-2	1	381.204	1.889	20	5		GDBDML
COc1ccc([C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000737969923	599798748	/nfs/dbraw/zinc/79/87/48/599798748.db2.gz	MQPJPGPCXJQANS-ZDUSSCGKSA-N	-2	1	384.341	1.847	20	5		GDBDML
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1O	ZINC000831348517	600689434	/nfs/dbraw/zinc/68/94/34/600689434.db2.gz	XQINNROTJZIYBV-UHFFFAOYSA-N	-2	1	396.333	1.586	20	5		GDBDML
O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000740512376	601988867	/nfs/dbraw/zinc/98/88/67/601988867.db2.gz	LTISGAJLNLGMBK-VIFPVBQESA-N	-2	1	377.806	1.917	20	5		GDBDML
O=C([O-])NC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000832522412	603141321	/nfs/dbraw/zinc/14/13/21/603141321.db2.gz	VSDJSLMDCWGPOD-GXSJLCMTSA-N	-2	1	375.378	1.839	20	5		GDBDML
C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000833531582	605636896	/nfs/dbraw/zinc/63/68/96/605636896.db2.gz	JDJUNLREBXLOMW-SNVBAGLBSA-N	-2	1	388.332	1.860	20	5		GDBDML
C[C@@](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])(CC(=O)[O-])C(=O)[O-]	ZINC000776584772	654697339	/nfs/dbraw/zinc/69/73/39/654697339.db2.gz	NYVJNLDGEDDCGT-LBPRGKRZSA-N	-3	1	380.762	1.092	20	5		GDBDML
CCCCCC[C@@](C)([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000829983254	654922843	/nfs/dbraw/zinc/92/28/43/654922843.db2.gz	OADXXIJFEUVNKO-CQSZACIVSA-N	-2	1	376.435	1.903	20	5		GDBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)c([N+](=O)[O-])n1	ZINC000548596576	531513235	/nfs/dbraw/zinc/51/32/35/531513235.db2.gz	NVVAYZVNHYLNRD-LLVKDONJSA-N	-2	1	388.789	1.569	20	5		GDBDML
O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000321528922	532068633	/nfs/dbraw/zinc/06/86/33/532068633.db2.gz	JQEAFXBQDYAVEW-UHFFFAOYSA-N	-2	1	377.787	1.881	20	5		GDBDML
CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000738752152	602317065	/nfs/dbraw/zinc/31/70/65/602317065.db2.gz	KQCAUFZNBSRYCT-UHFFFAOYSA-N	-2	1	396.219	1.682	20	5		GDBDML
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000821845800	607026875	/nfs/dbraw/zinc/02/68/75/607026875.db2.gz	JJGLGSLTPCGKDR-UHFFFAOYSA-N	-2	1	383.371	1.041	20	5		GDBDML
CCOc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821436871	607153595	/nfs/dbraw/zinc/15/35/95/607153595.db2.gz	GWDXMQPFEFIKCZ-UHFFFAOYSA-N	-2	1	390.381	1.974	20	5		GDBDML
CCOc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821436871	607153596	/nfs/dbraw/zinc/15/35/96/607153596.db2.gz	GWDXMQPFEFIKCZ-UHFFFAOYSA-N	-2	1	390.381	1.974	20	5		GDBDML
CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000594573435	652317342	/nfs/dbraw/zinc/31/73/42/652317342.db2.gz	OHRNDLXVHQCUMF-PWSUYJOCSA-N	-2	1	392.817	1.795	20	5		GDBDML
O=c1nc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[n-]o1	ZINC000810077577	655148099	/nfs/dbraw/zinc/14/80/99/655148099.db2.gz	ZCOXRWCRZVKDEF-UHFFFAOYSA-N	-2	1	383.169	1.099	20	5		GDBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000837286045	655173672	/nfs/dbraw/zinc/17/36/72/655173672.db2.gz	DWHKAIWBULKQCH-KBUNVGBDSA-N	-2	1	382.753	1.155	20	5		GDBDML
Cc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1-c1nn[n-]n1	ZINC000826322312	655497461	/nfs/dbraw/zinc/49/74/61/655497461.db2.gz	HNRSOXQQMUKWMU-UHFFFAOYSA-N	-2	1	384.765	1.261	20	5		GDBDML
CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000327743129	532086090	/nfs/dbraw/zinc/08/60/90/532086090.db2.gz	YCFXTDYLOWYBRD-UHFFFAOYSA-N	-2	1	389.386	1.906	20	5		GDBDML
COCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275132233	532268651	/nfs/dbraw/zinc/26/86/51/532268651.db2.gz	VMDVMLNBCDUREQ-QMMMGPOBSA-N	-2	1	397.203	1.125	20	5		GDBDML
O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000740514322	601988655	/nfs/dbraw/zinc/98/86/55/601988655.db2.gz	ZNPBHROWGOWURV-VIFPVBQESA-N	-2	1	377.806	1.917	20	5		GDBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000826237197	608305407	/nfs/dbraw/zinc/30/54/07/608305407.db2.gz	RJPIZYKPUZOLRY-UHFFFAOYSA-N	-2	1	384.765	1.261	20	5		GDBDML
Cc1sc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)cc1[N+](=O)[O-]	ZINC000552000340	650617375	/nfs/dbraw/zinc/61/73/75/650617375.db2.gz	OJJJXIWQBMYGED-LURJTMIESA-N	-2	1	376.334	1.896	20	5		GDBDML
CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000917738661	660220749	/nfs/dbraw/zinc/22/07/49/660220749.db2.gz	GFWYKOWUKLVIJO-UHFFFAOYSA-N	-2	1	389.386	1.906	20	5		GDBDML
CC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000787935109	654976761	/nfs/dbraw/zinc/97/67/61/654976761.db2.gz	LOQWJQCRDFSNKA-MRVPVSSYSA-N	-2	1	395.187	1.068	20	5		GDBDML
CO[C@H](C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-])C1CC1	ZINC000848683981	655499363	/nfs/dbraw/zinc/49/93/63/655499363.db2.gz	ZVNLWRKLWJRBCR-WDEREUQCSA-N	-2	1	376.362	1.281	20	5		GDBDML
C[C@](Cn1cccn1)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001592925938	979945435	/nfs/dbraw/zinc/94/54/35/979945435.db2.gz	LGAJWZIJFJENEY-CYBMUJFWSA-N	-2	1	388.789	1.267	20	5		GDBDML
O=C([O-])CCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000274906463	532241277	/nfs/dbraw/zinc/24/12/77/532241277.db2.gz	JKBSDMZXRYVMJF-UHFFFAOYSA-N	-2	1	381.204	1.891	20	5		GDBDML
CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275174034	532272795	/nfs/dbraw/zinc/27/27/95/532272795.db2.gz	CLUNSXCPJYGERI-UHFFFAOYSA-N	-2	1	381.204	1.746	20	5		GDBDML
CN(CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000739685500	602314902	/nfs/dbraw/zinc/31/49/02/602314902.db2.gz	UUJAETYRVQRMNY-UHFFFAOYSA-N	-2	1	396.219	1.636	20	5		GDBDML
O=C([O-])NCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000740651590	602388320	/nfs/dbraw/zinc/38/83/20/602388320.db2.gz	FKPUQTNMMBNVEP-UHFFFAOYSA-N	-2	1	382.192	1.293	20	5		GDBDML
CSc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000445553756	647269785	/nfs/dbraw/zinc/26/97/85/647269785.db2.gz	XUWYCYROGLPZLU-UHFFFAOYSA-N	-2	1	390.424	1.345	20	5		GDBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)ccc1[O-]	ZINC000477409032	647803016	/nfs/dbraw/zinc/80/30/16/647803016.db2.gz	YGGULEAZBJYHCK-UHFFFAOYSA-N	-2	1	384.391	1.431	20	5		GDBDML
C[C@](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])(CC(=O)[O-])C(=O)[O-]	ZINC000776584771	654697358	/nfs/dbraw/zinc/69/73/58/654697358.db2.gz	NYVJNLDGEDDCGT-GFCCVEGCSA-N	-3	1	380.762	1.092	20	5		GDBDML
CC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000787935113	654976786	/nfs/dbraw/zinc/97/67/86/654976786.db2.gz	LOQWJQCRDFSNKA-QMMMGPOBSA-N	-2	1	395.187	1.068	20	5		GDBDML
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837289355	655174806	/nfs/dbraw/zinc/17/48/06/655174806.db2.gz	ZBGDGKRWWWTOEK-MRVPVSSYSA-N	-2	1	398.752	1.072	20	5		GDBDML
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000841495376	655329636	/nfs/dbraw/zinc/32/96/36/655329636.db2.gz	GVDTWTPTPDSYEG-APPZFPTMSA-N	-2	1	393.215	1.889	20	5		GDBDML
CC(C)(C)C[C@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000821249634	655425109	/nfs/dbraw/zinc/42/51/09/655425109.db2.gz	PPUQZICKLWNNJE-QWRGUYRKSA-N	-2	1	394.833	1.777	20	5		GDBDML
O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2c1	ZINC000826499758	948415216	/nfs/dbraw/zinc/41/52/16/948415216.db2.gz	WFHDQOQVHALDIE-UHFFFAOYSA-N	-2	1	398.364	1.519	20	5		GDBDML
O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2c1	ZINC000826499758	948415222	/nfs/dbraw/zinc/41/52/22/948415222.db2.gz	WFHDQOQVHALDIE-UHFFFAOYSA-N	-2	1	398.364	1.519	20	5		GDBDML
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccccc1[N+](=O)[O-]	ZINC000852737534	969292104	/nfs/dbraw/zinc/29/21/04/969292104.db2.gz	TZYUZJSMCQHQOO-CMPLNLGQSA-N	-2	1	375.303	1.691	20	5		GDBDML
O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000549549102	531521811	/nfs/dbraw/zinc/52/18/11/531521811.db2.gz	MOBOYASQUJTRMB-GXFFZTMASA-N	-2	1	392.455	1.719	20	5		GDBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1	ZINC000508240291	531770709	/nfs/dbraw/zinc/77/07/09/531770709.db2.gz	GUAQXILOZSVNOZ-UHFFFAOYSA-N	-2	1	386.407	1.813	20	5		GDBDML
O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000321640534	532068051	/nfs/dbraw/zinc/06/80/51/532068051.db2.gz	UTBDRHZJIXEGPR-UHFFFAOYSA-N	-2	1	377.787	1.881	20	5		GDBDML
COC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000831631372	601804826	/nfs/dbraw/zinc/80/48/26/601804826.db2.gz	FRWZDBQEQGPLNW-LLVKDONJSA-N	-2	1	397.203	1.125	20	5		GDBDML
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000739214084	603154295	/nfs/dbraw/zinc/15/42/95/603154295.db2.gz	YDQGNABKYKVHLR-WPRPVWTQSA-N	-2	1	391.377	1.516	20	5		GDBDML
O=C([O-])N1CCN(C(=O)[C@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)CC1	ZINC000834117352	605544086	/nfs/dbraw/zinc/54/40/86/605544086.db2.gz	XGUBGAGSIMEIFH-ZDUSSCGKSA-N	-2	1	392.412	1.335	20	5		GDBDML
COc1cccc(C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])c1	ZINC000614325893	652959791	/nfs/dbraw/zinc/95/97/91/652959791.db2.gz	OXCZYONEABBIIG-NSHDSACASA-N	-2	1	386.407	1.639	20	5		GDBDML
O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776535929	654693621	/nfs/dbraw/zinc/69/36/21/654693621.db2.gz	BLLGVSXUEIMAGL-WPRPVWTQSA-N	-2	1	378.790	1.406	20	5		GDBDML
O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776535926	654693708	/nfs/dbraw/zinc/69/37/08/654693708.db2.gz	BLLGVSXUEIMAGL-SCZZXKLOSA-N	-2	1	378.790	1.406	20	5		GDBDML
CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000788698578	655004030	/nfs/dbraw/zinc/00/40/30/655004030.db2.gz	FMDSITLCZBRERU-MRVPVSSYSA-N	-2	1	397.203	1.125	20	5		GDBDML
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000823634173	655466058	/nfs/dbraw/zinc/46/60/58/655466058.db2.gz	BRGVWNARWGDJEV-UHFFFAOYSA-N	-2	1	387.790	1.686	20	5		GDBDML