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)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000594720981	532522153	/nfs/dbraw/zinc/52/21/53/532522153.db2.gz	RXGKAPILILJWSZ-LLVKDONJSA-N	-2	3	388.295	2.095	20	5		GEBDHL
CCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000262683681	532597444	/nfs/dbraw/zinc/59/74/44/532597444.db2.gz	UFAXHSRCCLWVJT-SNVBAGLBSA-N	-2	3	395.231	2.279	20	5		GEBDHL
Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)s1	ZINC000567797344	532664243	/nfs/dbraw/zinc/66/42/43/532664243.db2.gz	PNBVOHXRZCJFQB-UHFFFAOYSA-N	-2	3	385.423	2.153	20	5		GEBDHL
O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	ZINC000327552631	532792269	/nfs/dbraw/zinc/79/22/69/532792269.db2.gz	YTEKUUTVHKCASQ-GFCCVEGCSA-N	-2	3	384.797	2.395	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1	ZINC000738358180	599043096	/nfs/dbraw/zinc/04/30/96/599043096.db2.gz	AGUAYJVEGOBQGG-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1	ZINC000738358180	599043098	/nfs/dbraw/zinc/04/30/98/599043098.db2.gz	AGUAYJVEGOBQGG-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F	ZINC000737296250	599236678	/nfs/dbraw/zinc/23/66/78/599236678.db2.gz	GZPYKLRKRPVHFJ-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
CCC(CC)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000828849070	600791538	/nfs/dbraw/zinc/79/15/38/600791538.db2.gz	HNWJBWNZKUOVIS-UHFFFAOYSA-N	-2	3	395.231	2.279	20	5		GEBDHL
C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1	ZINC000548230679	601224706	/nfs/dbraw/zinc/22/47/06/601224706.db2.gz	IKZWSIFSNQMTRH-MEBBXXQBSA-N	-2	3	382.369	2.474	20	5		GEBDHL
CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000738813301	602567218	/nfs/dbraw/zinc/56/72/18/602567218.db2.gz	XPEPDHFDRZGDKF-SECBINFHSA-N	-2	3	379.822	2.209	20	5		GEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1	ZINC000833746856	605151896	/nfs/dbraw/zinc/15/18/96/605151896.db2.gz	JYXADPWBZPLOHP-UHFFFAOYSA-N	-3	3	380.378	2.427	20	5		GEBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)s1	ZINC000823643847	607123199	/nfs/dbraw/zinc/12/31/99/607123199.db2.gz	CSFHXHJOKQNCMF-UHFFFAOYSA-N	-2	3	386.802	2.291	20	5		GEBDHL
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000824171941	608165558	/nfs/dbraw/zinc/16/55/58/608165558.db2.gz	HFBRJQKFABJFMB-UHFFFAOYSA-N	-2	3	384.352	2.277	20	5		GEBDHL
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1	ZINC000826499405	609525040	/nfs/dbraw/zinc/52/50/40/609525040.db2.gz	HPYCTWNHBLSSGX-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1	ZINC000826499405	609525043	/nfs/dbraw/zinc/52/50/43/609525043.db2.gz	HPYCTWNHBLSSGX-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
CCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000262488811	645632983	/nfs/dbraw/zinc/63/29/83/645632983.db2.gz	UFAXHSRCCLWVJT-JTQLQIEISA-N	-2	3	395.231	2.279	20	5		GEBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c1	ZINC000414336449	648095096	/nfs/dbraw/zinc/09/50/96/648095096.db2.gz	ZHWKAXQRFYGAGP-SNVBAGLBSA-N	-2	3	378.353	2.397	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)cc1C	ZINC000560421579	651309491	/nfs/dbraw/zinc/30/94/91/651309491.db2.gz	GHMHKDDOQUGHSW-VIFPVBQESA-N	-2	3	384.332	2.143	20	5		GEBDHL
C[C@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1(Cl)Cl	ZINC000844890292	653824451	/nfs/dbraw/zinc/82/44/51/653824451.db2.gz	VUEDMVQFYIVLBN-LLVKDONJSA-N	-2	3	383.209	2.155	20	5		GEBDHL
Cc1sc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1[N+](=O)[O-]	ZINC000594679817	532518994	/nfs/dbraw/zinc/51/89/94/532518994.db2.gz	HOXHKTIOTSCCGI-XPTSAGLGSA-N	-2	3	384.435	2.500	20	5		GEBDHL
Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1	ZINC000579719566	532742939	/nfs/dbraw/zinc/74/29/39/532742939.db2.gz	VQCLYJGSGGMPKC-VIFPVBQESA-N	-2	3	385.423	2.406	20	5		GEBDHL
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000736699250	599039435	/nfs/dbraw/zinc/03/94/35/599039435.db2.gz	LKGGJDQQPFYMMR-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000736699250	599039437	/nfs/dbraw/zinc/03/94/37/599039437.db2.gz	LKGGJDQQPFYMMR-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000737271376	599039698	/nfs/dbraw/zinc/03/96/98/599039698.db2.gz	UKGZWXAOWAYCLX-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000737271376	599039700	/nfs/dbraw/zinc/03/97/00/599039700.db2.gz	UKGZWXAOWAYCLX-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cc(F)ccc1F	ZINC000614337387	599813826	/nfs/dbraw/zinc/81/38/26/599813826.db2.gz	LMTFTQNIQOSBPD-LLVKDONJSA-N	-2	3	378.334	2.039	20	5		GEBDHL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)ccc1F	ZINC000826498029	609525225	/nfs/dbraw/zinc/52/52/25/609525225.db2.gz	DWVMYRVQLTYOAU-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1F	ZINC000826498029	609525227	/nfs/dbraw/zinc/52/52/27/609525227.db2.gz	DWVMYRVQLTYOAU-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1C1CC1	ZINC000547899084	651052876	/nfs/dbraw/zinc/05/28/76/651052876.db2.gz	OKQQEXMAMGBGEN-UHFFFAOYSA-N	-2	3	383.407	2.105	20	5		GEBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1	ZINC000547932954	651056312	/nfs/dbraw/zinc/05/63/12/651056312.db2.gz	NSRFAIQSBXDSFD-ZDUSSCGKSA-N	-2	3	388.760	2.492	20	5		GEBDHL
C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC(=O)[O-]	ZINC000274991915	646340062	/nfs/dbraw/zinc/34/00/62/646340062.db2.gz	KTXZFGWTJKLVQB-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCC1	ZINC000548239672	651071188	/nfs/dbraw/zinc/07/11/88/651071188.db2.gz	DCCAUYLAFSJBBA-NSHDSACASA-N	-2	3	382.316	2.145	20	5		GEBDHL
CC[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000564713715	651576460	/nfs/dbraw/zinc/57/64/60/651576460.db2.gz	WSRRAIUEFJKHDG-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CCCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000764915710	652815486	/nfs/dbraw/zinc/81/54/86/652815486.db2.gz	NXJZTWZOYKWVTF-SNVBAGLBSA-N	-2	3	395.231	2.279	20	5		GEBDHL
CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000518932774	532450794	/nfs/dbraw/zinc/45/07/94/532450794.db2.gz	CJYWJGKCXJXUTD-JTQLQIEISA-N	-2	3	384.332	2.391	20	5		GEBDHL
O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000327178245	532791681	/nfs/dbraw/zinc/79/16/81/532791681.db2.gz	CBIRREFVFTYBJD-GFCCVEGCSA-N	-2	3	384.797	2.222	20	5		GEBDHL
O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000270413299	532798125	/nfs/dbraw/zinc/79/81/25/532798125.db2.gz	COWRNVOXHZFMND-UHFFFAOYSA-N	-2	3	395.231	2.281	20	5		GEBDHL
C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)CC(=O)[O-]	ZINC000274917410	532859514	/nfs/dbraw/zinc/85/95/14/532859514.db2.gz	ADWDZBFEIIDSGA-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000275070245	532863359	/nfs/dbraw/zinc/86/33/59/532863359.db2.gz	WMTVZJMRFCLUQT-VIFPVBQESA-N	-2	3	384.332	2.249	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)cc1C	ZINC000822212796	607328118	/nfs/dbraw/zinc/32/81/18/607328118.db2.gz	HUGAJDAPRMWSIC-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000738813302	602567141	/nfs/dbraw/zinc/56/71/41/602567141.db2.gz	XPEPDHFDRZGDKF-VIFPVBQESA-N	-2	3	379.822	2.209	20	5		GEBDHL
C[C@@]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)(C(=O)[O-])C1CC1	ZINC000521432139	604872592	/nfs/dbraw/zinc/87/25/92/604872592.db2.gz	OGCPMFGYFKBLRO-LBPRGKRZSA-N	-2	3	382.316	2.145	20	5		GEBDHL
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c(Cl)n1	ZINC000833733253	605330879	/nfs/dbraw/zinc/33/08/79/605330879.db2.gz	JSQVZTJIWOWBGV-UHFFFAOYSA-N	-2	3	387.757	2.151	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1-c1nnn[n-]1	ZINC000823647258	607154273	/nfs/dbraw/zinc/15/42/73/607154273.db2.gz	IYTXOYYAMWWBHD-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826499217	608852261	/nfs/dbraw/zinc/85/22/61/608852261.db2.gz	ZXJUACHTEALQKR-KRWDZBQOSA-N	-2	3	382.380	2.054	20	5		GEBDHL
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ncccc1[O-]	ZINC000480740294	650630160	/nfs/dbraw/zinc/63/01/60/650630160.db2.gz	KTLAIBZKZSDPFI-UHFFFAOYSA-N	-2	3	378.193	2.481	20	5		GEBDHL
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000261667972	645593895	/nfs/dbraw/zinc/59/38/95/645593895.db2.gz	JWKZPZKLFCUVSY-CPCISQLKSA-N	-2	3	395.231	2.135	20	5		GEBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1	ZINC000547932953	651056338	/nfs/dbraw/zinc/05/63/38/651056338.db2.gz	NSRFAIQSBXDSFD-CYBMUJFWSA-N	-2	3	388.760	2.492	20	5		GEBDHL
C[C@@H](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000275020835	646342851	/nfs/dbraw/zinc/34/28/51/646342851.db2.gz	RPTNIHHFAIBLDB-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000327307558	647306961	/nfs/dbraw/zinc/30/69/61/647306961.db2.gz	SXKGFCHATQXSIV-UHFFFAOYSA-N	-2	3	384.797	2.467	20	5		GEBDHL
CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC(=O)[O-]	ZINC000548267770	651075005	/nfs/dbraw/zinc/07/50/05/651075005.db2.gz	QRISNQMTGOQWRJ-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(=O)[O-]	ZINC000548591037	651081287	/nfs/dbraw/zinc/08/12/87/651081287.db2.gz	ACENWSQLNCTUGB-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CCC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000614343590	651822457	/nfs/dbraw/zinc/82/24/57/651822457.db2.gz	IQVKKMMCLSXFDV-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
C[C@@]1(CC[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C[C@]1(F)Cl	ZINC000844897761	653826909	/nfs/dbraw/zinc/82/69/09/653826909.db2.gz	DCZHDWVWHBMUOW-CHWSQXEVSA-N	-2	3	380.781	2.276	20	5		GEBDHL
COc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c([N+](=O)[O-])c1	ZINC000591587855	532414303	/nfs/dbraw/zinc/41/43/03/532414303.db2.gz	RKCHNIUIWLNELI-JTQLQIEISA-N	-2	3	386.407	2.159	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])c1	ZINC000285075873	532645619	/nfs/dbraw/zinc/64/56/19/532645619.db2.gz	KXHPRESXQAFWQQ-VIFPVBQESA-N	-2	3	394.833	2.103	20	5		GEBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000285161655	532653159	/nfs/dbraw/zinc/65/31/59/532653159.db2.gz	PIHMOACLGAYRSQ-JTQLQIEISA-N	-2	3	394.833	2.103	20	5		GEBDHL
CCOC(=O)CSc1nnc([N-]C(=O)c2cc([O-])ccc2[N+](=O)[O-])s1	ZINC000507729513	532758580	/nfs/dbraw/zinc/75/85/80/532758580.db2.gz	ABUOXXTYCCZDRK-UHFFFAOYSA-N	-2	3	384.395	2.059	20	5		GEBDHL
O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000548225366	532790072	/nfs/dbraw/zinc/79/00/72/532790072.db2.gz	JWFQFJNDIBNSLG-VIFPVBQESA-N	-2	3	390.826	2.284	20	5		GEBDHL
O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000327269528	532791445	/nfs/dbraw/zinc/79/14/45/532791445.db2.gz	CYTNOHUGZPDBLN-UHFFFAOYSA-N	-2	3	384.797	2.467	20	5		GEBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c1	ZINC000414353816	532821738	/nfs/dbraw/zinc/82/17/38/532821738.db2.gz	ZGZHPGJKQUMAKZ-UHFFFAOYSA-N	-2	3	378.353	2.397	20	5		GEBDHL
CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000275070240	532862715	/nfs/dbraw/zinc/86/27/15/532862715.db2.gz	WMTVZJMRFCLUQT-SECBINFHSA-N	-2	3	384.332	2.249	20	5		GEBDHL
O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000739687881	600489682	/nfs/dbraw/zinc/48/96/82/600489682.db2.gz	ZDRCZCQPIQEWNM-UHFFFAOYSA-N	-3	3	396.377	2.345	20	5		GEBDHL
C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1	ZINC000548230678	601224644	/nfs/dbraw/zinc/22/46/44/601224644.db2.gz	IKZWSIFSNQMTRH-BONVTDFDSA-N	-2	3	382.369	2.474	20	5		GEBDHL
O=C([O-])N1CCc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2C1	ZINC000740530534	602491022	/nfs/dbraw/zinc/49/10/22/602491022.db2.gz	RRMMXRVKMRPZQP-UHFFFAOYSA-N	-3	3	393.377	2.137	20	5		GEBDHL
O=C([O-])NCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1	ZINC000740620870	602564792	/nfs/dbraw/zinc/56/47/92/602564792.db2.gz	TWIUWOOMHRSUOY-UHFFFAOYSA-N	-2	3	377.806	2.107	20	5		GEBDHL
O=C([O-])NC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000832512545	603137668	/nfs/dbraw/zinc/13/76/68/603137668.db2.gz	FQASMIIFRRJJQP-BXKDBHETSA-N	-2	3	391.833	2.353	20	5		GEBDHL
C[C@]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)(C(=O)[O-])C1CC1	ZINC000521432138	604872310	/nfs/dbraw/zinc/87/23/10/604872310.db2.gz	OGCPMFGYFKBLRO-GFCCVEGCSA-N	-2	3	382.316	2.145	20	5		GEBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c(Cl)c1	ZINC000826499794	608108133	/nfs/dbraw/zinc/10/81/33/608108133.db2.gz	XRKFJTCNUUWJRX-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1	ZINC000826498008	608108228	/nfs/dbraw/zinc/10/82/28/608108228.db2.gz	CVXNZIDEWNYACG-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1	ZINC000476320117	650548212	/nfs/dbraw/zinc/54/82/12/650548212.db2.gz	UXLCUPJZPYGYNX-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1	ZINC000476320117	650548218	/nfs/dbraw/zinc/54/82/18/650548218.db2.gz	UXLCUPJZPYGYNX-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000548544452	651079733	/nfs/dbraw/zinc/07/97/33/651079733.db2.gz	UJFCLTZVYHRJRC-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000584778828	652528917	/nfs/dbraw/zinc/52/89/17/652528917.db2.gz	ZBASIGUJERMAHV-IONNQARKSA-N	-2	3	382.316	2.145	20	5		GEBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)cc1[N+](=O)[O-]	ZINC000809226119	653257792	/nfs/dbraw/zinc/25/77/92/653257792.db2.gz	MXERWZHJSJCQLM-ZETCQYMHSA-N	-2	3	386.760	2.191	20	5		GEBDHL
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776571993	653360118	/nfs/dbraw/zinc/36/01/18/653360118.db2.gz	RQMVXDLUXOLZMZ-SNVBAGLBSA-N	-2	3	395.231	2.135	20	5		GEBDHL
C[C@@]1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1(Cl)Cl	ZINC000844889447	653824529	/nfs/dbraw/zinc/82/45/29/653824529.db2.gz	NEVKNBKFJMDGGK-NSHDSACASA-N	-2	3	383.209	2.155	20	5		GEBDHL
CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000591243081	532402880	/nfs/dbraw/zinc/40/28/80/532402880.db2.gz	PVAUPRGGZNWAIB-UHFFFAOYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c1[N+](=O)[O-]	ZINC000569248556	532693828	/nfs/dbraw/zinc/69/38/28/532693828.db2.gz	LJEIHEIOCXUOPC-VIFPVBQESA-N	-2	3	384.332	2.143	20	5		GEBDHL
CNS(=O)(=O)c1csc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000542750260	532778953	/nfs/dbraw/zinc/77/89/53/532778953.db2.gz	DJSTUSXIVXRXIL-UHFFFAOYSA-N	-2	3	391.814	2.176	20	5		GEBDHL
O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000270402446	532797996	/nfs/dbraw/zinc/79/79/96/532797996.db2.gz	AGMUJFUHVSTMFB-UHFFFAOYSA-N	-2	3	395.231	2.281	20	5		GEBDHL
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000274942642	532860376	/nfs/dbraw/zinc/86/03/76/532860376.db2.gz	FGQNLDAZEQEPLC-SNVBAGLBSA-N	-2	3	395.231	2.135	20	5		GEBDHL
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000275025464	532861934	/nfs/dbraw/zinc/86/19/34/532861934.db2.gz	PHANPVYAOJKNTK-JTQLQIEISA-N	-2	3	384.332	2.391	20	5		GEBDHL
Cc1cc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])ccc2[nH]1	ZINC000737283642	599039045	/nfs/dbraw/zinc/03/90/45/599039045.db2.gz	FTKSMTJRGNWSEI-UHFFFAOYSA-N	-2	3	399.392	2.365	20	5		GEBDHL
Cc1cc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])ccc2[nH]1	ZINC000737283642	599039048	/nfs/dbraw/zinc/03/90/48/599039048.db2.gz	FTKSMTJRGNWSEI-UHFFFAOYSA-N	-2	3	399.392	2.365	20	5		GEBDHL
CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1	ZINC000737190673	599039728	/nfs/dbraw/zinc/03/97/28/599039728.db2.gz	ORCFLNPOWWPOKC-UHFFFAOYSA-N	-2	3	392.422	2.298	20	5		GEBDHL
CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1	ZINC000737190673	599039730	/nfs/dbraw/zinc/03/97/30/599039730.db2.gz	ORCFLNPOWWPOKC-UHFFFAOYSA-N	-2	3	392.422	2.298	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1F	ZINC000738359597	599041443	/nfs/dbraw/zinc/04/14/43/599041443.db2.gz	KLEJXOUBCIESJH-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1F	ZINC000738359597	599041446	/nfs/dbraw/zinc/04/14/46/599041446.db2.gz	KLEJXOUBCIESJH-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F	ZINC000823634480	607328485	/nfs/dbraw/zinc/32/84/85/607328485.db2.gz	HHJQJNXXJPLYEI-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000736688141	598593327	/nfs/dbraw/zinc/59/33/27/598593327.db2.gz	BFQWQXCLCVKOCL-UHFFFAOYSA-N	-2	3	392.372	2.277	20	5		GEBDHL
CC[C@@]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000736923165	600136266	/nfs/dbraw/zinc/13/62/66/600136266.db2.gz	FKGJVNLVAXJELC-KRWDZBQOSA-N	-2	3	394.405	2.272	20	5		GEBDHL
O=C([O-])c1csc([N-]C(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)c1	ZINC000833343162	602183432	/nfs/dbraw/zinc/18/34/32/602183432.db2.gz	YXIUAAVFKJOKFI-UHFFFAOYSA-N	-2	3	395.305	2.286	20	5		GEBDHL
C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000825449577	603402934	/nfs/dbraw/zinc/40/29/34/603402934.db2.gz	UHWSXQQFWPTQLJ-SECBINFHSA-N	-3	3	381.366	2.430	20	5		GEBDHL
CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000547874448	604872515	/nfs/dbraw/zinc/87/25/15/604872515.db2.gz	FSIXGMSAMKDKRF-JTQLQIEISA-N	-2	3	395.231	2.135	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cncc2ccccc21	ZINC000826497330	607983080	/nfs/dbraw/zinc/98/30/80/607983080.db2.gz	CUUKRDCUSLGYKE-UHFFFAOYSA-N	-2	3	397.376	2.124	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cncc2ccccc21	ZINC000826497330	607983081	/nfs/dbraw/zinc/98/30/81/607983081.db2.gz	CUUKRDCUSLGYKE-UHFFFAOYSA-N	-2	3	397.376	2.124	20	5		GEBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)s1	ZINC000826499248	609338676	/nfs/dbraw/zinc/33/86/76/609338676.db2.gz	AZSDGMYZVIFJFU-UHFFFAOYSA-N	-2	3	386.802	2.291	20	5		GEBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)s1	ZINC000826499248	609338679	/nfs/dbraw/zinc/33/86/79/609338679.db2.gz	AZSDGMYZVIFJFU-UHFFFAOYSA-N	-2	3	386.802	2.291	20	5		GEBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]N=c1c(F)c(F)[n-]c(F)c1F	ZINC000105386719	643204584	/nfs/dbraw/zinc/20/45/84/643204584.db2.gz	RTDTWGZHUSRIBQ-UHFFFAOYSA-N	-2	3	380.279	2.160	20	5		GEBDHL
C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000575985707	652089130	/nfs/dbraw/zinc/08/91/30/652089130.db2.gz	ZBNRGONVGYAXNV-MXQLGCADSA-N	-2	3	382.316	2.311	20	5		GEBDHL
C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776634781	653367122	/nfs/dbraw/zinc/36/71/22/653367122.db2.gz	NODLOPJIGPXNNS-MRVPVSSYSA-N	-2	3	395.231	2.279	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]N=c1c(F)c(F)[n-]c(F)c1F	ZINC000916102649	654888265	/nfs/dbraw/zinc/88/82/65/654888265.db2.gz	BQMZAAGJTMNQLJ-UHFFFAOYSA-N	-2	3	380.279	2.160	20	5		GEBDHL
Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])s1	ZINC000566179868	532599287	/nfs/dbraw/zinc/59/92/87/532599287.db2.gz	PXLYUGLCOLQIPR-UHFFFAOYSA-N	-2	3	385.423	2.272	20	5		GEBDHL
O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000285285595	532666032	/nfs/dbraw/zinc/66/60/32/532666032.db2.gz	WYVHCJMXMVLVJX-JTQLQIEISA-N	-2	3	382.316	2.145	20	5		GEBDHL
Cc1nc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000580868204	532751066	/nfs/dbraw/zinc/75/10/66/532751066.db2.gz	TUDRLALFLIOOEM-UHFFFAOYSA-N	-2	3	385.423	2.153	20	5		GEBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)c1F	ZINC000822212709	607255428	/nfs/dbraw/zinc/25/54/28/607255428.db2.gz	DJBXAXFYQWXQHC-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1F	ZINC000822212709	607255429	/nfs/dbraw/zinc/25/54/29/607255429.db2.gz	DJBXAXFYQWXQHC-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc21	ZINC000740530217	602246297	/nfs/dbraw/zinc/24/62/97/602246297.db2.gz	WISFXOSXOWDVIZ-UHFFFAOYSA-N	-3	3	379.350	2.142	20	5		GEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1	ZINC000499265683	605150673	/nfs/dbraw/zinc/15/06/73/605150673.db2.gz	LEKFKBMIQAYSBF-UHFFFAOYSA-N	-3	3	396.377	2.263	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1C	ZINC000822270944	607001526	/nfs/dbraw/zinc/00/15/26/607001526.db2.gz	FEPAPCVAUHUMAW-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1C	ZINC000822270944	607001528	/nfs/dbraw/zinc/00/15/28/607001528.db2.gz	FEPAPCVAUHUMAW-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000514643396	650575567	/nfs/dbraw/zinc/57/55/67/650575567.db2.gz	BGCDQMCAWBYCIJ-JTQLQIEISA-N	-2	3	390.826	2.284	20	5		GEBDHL
Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000524191638	650639154	/nfs/dbraw/zinc/63/91/54/650639154.db2.gz	FWTQDRQFESNLLH-XMMPIXPASA-N	-2	3	384.435	2.288	20	5		GEBDHL
O=C([O-])C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1	ZINC000551911916	651136178	/nfs/dbraw/zinc/13/61/78/651136178.db2.gz	UUEXVYSHKQFMAT-UHFFFAOYSA-N	-2	3	382.316	2.147	20	5		GEBDHL
O=C([O-])C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1	ZINC000560889042	651471628	/nfs/dbraw/zinc/47/16/28/651471628.db2.gz	PLNOTINLHDFQKK-UHFFFAOYSA-N	-2	3	382.316	2.289	20	5		GEBDHL
CC[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000564713709	651576420	/nfs/dbraw/zinc/57/64/20/651576420.db2.gz	WSRRAIUEFJKHDG-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
Cc1cc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)ccc1[N+](=O)[O-]	ZINC000734419819	651745173	/nfs/dbraw/zinc/74/51/73/651745173.db2.gz	RIZHWQUUMODKSH-UHFFFAOYSA-N	-2	3	380.279	2.160	20	5		GEBDHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F	ZINC000614353306	651823466	/nfs/dbraw/zinc/82/34/66/651823466.db2.gz	HEUJJEYDCBAFTF-JTQLQIEISA-N	-2	3	392.361	2.429	20	5		GEBDHL
C[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(=O)[O-]	ZINC000776625633	653366285	/nfs/dbraw/zinc/36/62/85/653366285.db2.gz	QTYJCFDRIWRQHK-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
C[C@]1(CC[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@]1(F)Cl	ZINC000844897764	653826877	/nfs/dbraw/zinc/82/68/77/653826877.db2.gz	DCZHDWVWHBMUOW-STQMWFEESA-N	-2	3	380.781	2.276	20	5		GEBDHL
C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000517736422	532424834	/nfs/dbraw/zinc/42/48/34/532424834.db2.gz	QDJQFKDUSZNBHD-GKQMSVHHSA-N	-2	3	382.316	2.311	20	5		GEBDHL
C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000284138352	532578777	/nfs/dbraw/zinc/57/87/77/532578777.db2.gz	YPQNTSGWCBHEBP-PELKAZGASA-N	-2	3	394.833	2.183	20	5		GEBDHL
CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)s1	ZINC000566317691	532605322	/nfs/dbraw/zinc/60/53/22/532605322.db2.gz	ZFHRSGHRTLPLTJ-UHFFFAOYSA-N	-2	3	385.423	2.099	20	5		GEBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1	ZINC000322923218	532788579	/nfs/dbraw/zinc/78/85/79/532788579.db2.gz	MMJURBKNDCGVQC-NSHDSACASA-N	-2	3	376.799	2.414	20	5		GEBDHL
CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(C)cs1	ZINC000273787516	532834700	/nfs/dbraw/zinc/83/47/00/532834700.db2.gz	ZUGNFGBDBIKODO-GFCCVEGCSA-N	-2	3	385.423	2.488	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2	ZINC000738359826	599041452	/nfs/dbraw/zinc/04/14/52/599041452.db2.gz	OAMGHNWKTQLDDE-UHFFFAOYSA-N	-2	3	386.393	2.064	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2	ZINC000738359826	599041455	/nfs/dbraw/zinc/04/14/55/599041455.db2.gz	OAMGHNWKTQLDDE-UHFFFAOYSA-N	-2	3	386.393	2.064	20	5		GEBDHL
Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1	ZINC000738569414	600171729	/nfs/dbraw/zinc/17/17/29/600171729.db2.gz	FDFGCBGBSOAPHR-ZDUSSCGKSA-N	-2	3	382.369	2.189	20	5		GEBDHL
O=C([O-])CCCOc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000739682880	600518847	/nfs/dbraw/zinc/51/88/47/600518847.db2.gz	OLVGLWWPCTXYRZ-UHFFFAOYSA-N	-2	3	394.405	2.317	20	5		GEBDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739040927	601994323	/nfs/dbraw/zinc/99/43/23/601994323.db2.gz	XQTWQYCNSLBLRI-NXEZZACHSA-N	-2	3	391.833	2.305	20	5		GEBDHL
O=C([O-])N1CCCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000740521202	602869840	/nfs/dbraw/zinc/86/98/40/602869840.db2.gz	YFBMORORKRNFFQ-JTQLQIEISA-N	-2	3	377.806	2.059	20	5		GEBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1F	ZINC000121215206	606658549	/nfs/dbraw/zinc/65/85/49/606658549.db2.gz	GFSPFASNAXUSCV-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821491879	607153836	/nfs/dbraw/zinc/15/38/36/607153836.db2.gz	AJYYQOPAOVFVCZ-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1-c1nnn[n-]1	ZINC000823646820	607154184	/nfs/dbraw/zinc/15/41/84/607154184.db2.gz	AMWUIUQXQRTODT-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000826474284	608478065	/nfs/dbraw/zinc/47/80/65/608478065.db2.gz	JOUIONHWSFXERH-UHFFFAOYSA-N	-2	3	392.375	2.410	20	5		GEBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826474284	608478066	/nfs/dbraw/zinc/47/80/66/608478066.db2.gz	JOUIONHWSFXERH-UHFFFAOYSA-N	-2	3	392.375	2.410	20	5		GEBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1	ZINC000826499400	609338756	/nfs/dbraw/zinc/33/87/56/609338756.db2.gz	HKSLJPSADJDTKT-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1	ZINC000826499400	609338757	/nfs/dbraw/zinc/33/87/57/609338757.db2.gz	HKSLJPSADJDTKT-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000576842953	652147634	/nfs/dbraw/zinc/14/76/34/652147634.db2.gz	GMHLHJALSILCJQ-SECBINFHSA-N	-2	3	384.332	2.249	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c1	ZINC000809226718	653257814	/nfs/dbraw/zinc/25/78/14/653257814.db2.gz	IDXKJKJFBSRYKT-SSDOTTSWSA-N	-2	3	386.760	2.191	20	5		GEBDHL
Cc1sc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)c2ccccc2)cc1[N+](=O)[O-]	ZINC000594679816	532519114	/nfs/dbraw/zinc/51/91/14/532519114.db2.gz	HOXHKTIOTSCCGI-OTYXRUKQSA-N	-2	3	384.435	2.500	20	5		GEBDHL
COc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000604408066	532700205	/nfs/dbraw/zinc/70/02/05/532700205.db2.gz	HRNRASOYJULCJY-LLVKDONJSA-N	-2	3	386.407	2.159	20	5		GEBDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000442320944	532730103	/nfs/dbraw/zinc/73/01/03/532730103.db2.gz	GHLOYWYYIUKIRS-UHFFFAOYSA-N	-2	3	385.423	2.076	20	5		GEBDHL
Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)sc1C	ZINC000581367868	532755603	/nfs/dbraw/zinc/75/56/03/532755603.db2.gz	XMMTWTWMBKKPCA-UHFFFAOYSA-N	-2	3	385.423	2.153	20	5		GEBDHL
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000738361687	598594227	/nfs/dbraw/zinc/59/42/27/598594227.db2.gz	YFASNPDHTQSIPZ-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000738361687	598594228	/nfs/dbraw/zinc/59/42/28/598594228.db2.gz	YFASNPDHTQSIPZ-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-]	ZINC000737263746	599456480	/nfs/dbraw/zinc/45/64/80/599456480.db2.gz	OVMRGQHAPUHJMJ-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-]	ZINC000737263746	599456482	/nfs/dbraw/zinc/45/64/82/599456482.db2.gz	OVMRGQHAPUHJMJ-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1	ZINC000833169093	601388825	/nfs/dbraw/zinc/38/88/25/601388825.db2.gz	CETDVWJCHWJLFI-ZDUSSCGKSA-N	-2	3	388.760	2.492	20	5		GEBDHL
O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1	ZINC000832140738	603143641	/nfs/dbraw/zinc/14/36/41/603143641.db2.gz	NVILRVGREZBGTL-ZDUSSCGKSA-N	-2	3	383.357	2.021	20	5		GEBDHL
COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)nc21	ZINC000833717170	604867753	/nfs/dbraw/zinc/86/77/53/604867753.db2.gz	VWEINWGPAVHIMZ-UHFFFAOYSA-N	-2	3	384.304	2.208	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc2ccncc21	ZINC000823634183	606713414	/nfs/dbraw/zinc/71/34/14/606713414.db2.gz	BYAVCCODYFPWHB-UHFFFAOYSA-N	-2	3	397.376	2.124	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc2ccncc21	ZINC000823634183	606713415	/nfs/dbraw/zinc/71/34/15/606713415.db2.gz	BYAVCCODYFPWHB-UHFFFAOYSA-N	-2	3	397.376	2.124	20	5		GEBDHL
CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000821308649	607032695	/nfs/dbraw/zinc/03/26/95/607032695.db2.gz	FGJJBAAFEOHOFC-UHFFFAOYSA-N	-2	3	389.397	2.008	20	5		GEBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1	ZINC000823493261	607192997	/nfs/dbraw/zinc/19/29/97/607192997.db2.gz	JVYYRUAUNHDFCW-UHFFFAOYSA-N	-2	3	380.364	2.285	20	5		GEBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1	ZINC000823493261	607192998	/nfs/dbraw/zinc/19/29/98/607192998.db2.gz	JVYYRUAUNHDFCW-UHFFFAOYSA-N	-2	3	380.364	2.285	20	5		GEBDHL
Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-]	ZINC000826242959	608101421	/nfs/dbraw/zinc/10/14/21/608101421.db2.gz	NPIGMQKOBHYKRG-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-]	ZINC000826242959	608101422	/nfs/dbraw/zinc/10/14/22/608101422.db2.gz	NPIGMQKOBHYKRG-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000826473618	608561253	/nfs/dbraw/zinc/56/12/53/608561253.db2.gz	GTOWPUZQBOPOHJ-UHFFFAOYSA-N	-2	3	392.375	2.410	20	5		GEBDHL
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826473618	608561254	/nfs/dbraw/zinc/56/12/54/608561254.db2.gz	GTOWPUZQBOPOHJ-UHFFFAOYSA-N	-2	3	392.375	2.410	20	5		GEBDHL
O=C(COc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000826419442	609285502	/nfs/dbraw/zinc/28/55/02/609285502.db2.gz	YELJMSYZWAXITM-UHFFFAOYSA-N	-2	3	390.743	2.151	20	5		GEBDHL
O=C(COc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000826419442	609285503	/nfs/dbraw/zinc/28/55/03/609285503.db2.gz	YELJMSYZWAXITM-UHFFFAOYSA-N	-2	3	390.743	2.151	20	5		GEBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1	ZINC000548260501	651073658	/nfs/dbraw/zinc/07/36/58/651073658.db2.gz	FPGLZRXKKHRHJZ-CYBMUJFWSA-N	-2	3	388.760	2.492	20	5		GEBDHL
CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1nccs1	ZINC000573840133	651982204	/nfs/dbraw/zinc/98/22/04/651982204.db2.gz	RTLKDMQQPVLMEU-AWEZNQCLSA-N	-2	3	385.423	2.353	20	5		GEBDHL
CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776493784	653351208	/nfs/dbraw/zinc/35/12/08/653351208.db2.gz	UHJKDHMDGYOIMQ-JTQLQIEISA-N	-2	3	395.231	2.135	20	5		GEBDHL
COc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c([N+](=O)[O-])c1	ZINC000591587856	532414749	/nfs/dbraw/zinc/41/47/49/532414749.db2.gz	RKCHNIUIWLNELI-SNVBAGLBSA-N	-2	3	386.407	2.159	20	5		GEBDHL
C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	ZINC000593272715	532479108	/nfs/dbraw/zinc/47/91/08/532479108.db2.gz	AIXJWPJFUUNVMA-ZETCQYMHSA-N	-2	3	382.316	2.145	20	5		GEBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1	ZINC000322923217	532788438	/nfs/dbraw/zinc/78/84/38/532788438.db2.gz	MMJURBKNDCGVQC-LLVKDONJSA-N	-2	3	376.799	2.414	20	5		GEBDHL
C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)CC(=O)[O-]	ZINC000274917407	532859736	/nfs/dbraw/zinc/85/97/36/532859736.db2.gz	ADWDZBFEIIDSGA-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000275025466	532861681	/nfs/dbraw/zinc/86/16/81/532861681.db2.gz	PHANPVYAOJKNTK-SNVBAGLBSA-N	-2	3	384.332	2.391	20	5		GEBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1	ZINC000737362965	599040085	/nfs/dbraw/zinc/04/00/85/599040085.db2.gz	ZSWKXUMUGJCFME-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1	ZINC000737362965	599040087	/nfs/dbraw/zinc/04/00/87/599040087.db2.gz	ZSWKXUMUGJCFME-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C([O-])c1sc2ccccc2c1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-]	ZINC000833347862	602309669	/nfs/dbraw/zinc/30/96/69/602309669.db2.gz	WBSMYRNJUBHNLT-UHFFFAOYSA-N	-2	3	394.390	2.208	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1-c1nnn[n-]1	ZINC000823648399	607154903	/nfs/dbraw/zinc/15/49/03/607154903.db2.gz	WBMILNVXTXKFTO-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
CCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)ccc1C	ZINC000825700706	609313199	/nfs/dbraw/zinc/31/31/99/609313199.db2.gz	QASNPCDQQJDEEU-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
CCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)ccc1C	ZINC000825700706	609313200	/nfs/dbraw/zinc/31/32/00/609313200.db2.gz	QASNPCDQQJDEEU-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1	ZINC000103059365	643152305	/nfs/dbraw/zinc/15/23/05/643152305.db2.gz	ICDJYXQSLDERDM-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c1	ZINC000414336447	648095134	/nfs/dbraw/zinc/09/51/34/648095134.db2.gz	ZHWKAXQRFYGAGP-JTQLQIEISA-N	-2	3	378.353	2.397	20	5		GEBDHL
CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000576842955	652147449	/nfs/dbraw/zinc/14/74/49/652147449.db2.gz	GMHLHJALSILCJQ-VIFPVBQESA-N	-2	3	384.332	2.249	20	5		GEBDHL
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000760121670	652595819	/nfs/dbraw/zinc/59/58/19/652595819.db2.gz	KTPQEXYYFQZNBY-CPCISQLKSA-N	-2	3	395.231	2.135	20	5		GEBDHL
CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000837291251	653421551	/nfs/dbraw/zinc/42/15/51/653421551.db2.gz	FUXRGVSDKOFJHT-MRVPVSSYSA-N	-2	3	395.231	2.279	20	5		GEBDHL
CCOC(=O)c1nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c[n-]1	ZINC000789737822	653780842	/nfs/dbraw/zinc/78/08/42/653780842.db2.gz	AEZZMEHREFKZLB-UHFFFAOYSA-N	-2	3	388.789	2.257	20	5		GEBDHL
C[C@@]1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@]1(F)Cl	ZINC000844897812	653826809	/nfs/dbraw/zinc/82/68/09/653826809.db2.gz	FDFIBZKJAMEQIU-OLZOCXBDSA-N	-2	3	380.781	2.276	20	5		GEBDHL
CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1nccs1	ZINC000564919832	532537373	/nfs/dbraw/zinc/53/73/73/532537373.db2.gz	HBPKBITXCLSNLN-CQSZACIVSA-N	-2	3	385.423	2.353	20	5		GEBDHL
C[C@@](CCF)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000594720525	532522579	/nfs/dbraw/zinc/52/25/79/532522579.db2.gz	OUWOMTVCSAMEOZ-NSHDSACASA-N	-2	3	388.295	2.095	20	5		GEBDHL
O=C([O-])c1c(F)cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F	ZINC000565340155	532557244	/nfs/dbraw/zinc/55/72/44/532557244.db2.gz	YFFAKZBGYMSEMK-UHFFFAOYSA-N	-2	3	378.334	2.111	20	5		GEBDHL
CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000297272903	532577065	/nfs/dbraw/zinc/57/70/65/532577065.db2.gz	SSGSJDXQUUVABR-MRVPVSSYSA-N	-2	3	395.231	2.279	20	5		GEBDHL
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c1	ZINC000505863884	532750891	/nfs/dbraw/zinc/75/08/91/532750891.db2.gz	HUBFZZCUOATVHU-UHFFFAOYSA-N	-2	3	382.316	2.304	20	5		GEBDHL
C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(=O)[O-]	ZINC000275012742	532861376	/nfs/dbraw/zinc/86/13/76/532861376.db2.gz	NPGCVQDWVNJCJR-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-]	ZINC000822203096	607255340	/nfs/dbraw/zinc/25/53/40/607255340.db2.gz	DSKQZMUHBOBUJE-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc2cccnc21	ZINC000738358205	599040192	/nfs/dbraw/zinc/04/01/92/599040192.db2.gz	BCDOWWWGEBQCFG-UHFFFAOYSA-N	-2	3	397.376	2.124	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc2cccnc21	ZINC000738358205	599040195	/nfs/dbraw/zinc/04/01/95/599040195.db2.gz	BCDOWWWGEBQCFG-UHFFFAOYSA-N	-2	3	397.376	2.124	20	5		GEBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1C	ZINC000737282512	598594071	/nfs/dbraw/zinc/59/40/71/598594071.db2.gz	FGQDFPFYBKNDEN-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
O=C([O-])NC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000832512548	603137745	/nfs/dbraw/zinc/13/77/45/603137745.db2.gz	FQASMIIFRRJJQP-SKDRFNHKSA-N	-2	3	391.833	2.353	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1-c1nnn[n-]1	ZINC000823646821	607154318	/nfs/dbraw/zinc/15/43/18/607154318.db2.gz	ARCWBPOETQSXHE-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1-c1nnn[n-]1	ZINC000823647150	607154330	/nfs/dbraw/zinc/15/43/30/607154330.db2.gz	HBNQOANSXMRCRX-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
Cc1cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nnn[n-]3)ccc2[nH]1	ZINC000822213143	607154402	/nfs/dbraw/zinc/15/44/02/607154402.db2.gz	WMZSDDYHWVWSRN-UHFFFAOYSA-N	-2	3	399.392	2.365	20	5		GEBDHL
CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000548265804	651074606	/nfs/dbraw/zinc/07/46/06/651074606.db2.gz	KCROCRKNGHLCTE-LBPRGKRZSA-N	-2	3	392.430	2.165	20	5		GEBDHL
C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000548544450	651079765	/nfs/dbraw/zinc/07/97/65/651079765.db2.gz	UJFCLTZVYHRJRC-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000571264716	651821543	/nfs/dbraw/zinc/82/15/43/651821543.db2.gz	UKBOJHRWDBMDAU-SECBINFHSA-N	-2	3	382.316	2.145	20	5		GEBDHL
CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000837291254	653421596	/nfs/dbraw/zinc/42/15/96/653421596.db2.gz	FUXRGVSDKOFJHT-QMMMGPOBSA-N	-2	3	395.231	2.279	20	5		GEBDHL
CC(C)(CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000818430008	653731189	/nfs/dbraw/zinc/73/11/89/653731189.db2.gz	BRUHZODSBNTXTC-UHFFFAOYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
Cc1ccc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)cc1[N+](=O)[O-]	ZINC000916102660	654888350	/nfs/dbraw/zinc/88/83/50/654888350.db2.gz	CVWFQXJIDLXHQE-UHFFFAOYSA-N	-2	3	380.279	2.160	20	5		GEBDHL
Cc1c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cccc1-c1nnn[n-]1	ZINC000822123046	607255792	/nfs/dbraw/zinc/25/57/92/607255792.db2.gz	SZKBFGRDHIVJIX-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cccc1-c1nn[n-]n1	ZINC000822123046	607255793	/nfs/dbraw/zinc/25/57/93/607255793.db2.gz	SZKBFGRDHIVJIX-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-]	ZINC000737282204	599018662	/nfs/dbraw/zinc/01/86/62/599018662.db2.gz	BUPWYDGYXVXLGL-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-]	ZINC000737282204	599018663	/nfs/dbraw/zinc/01/86/63/599018663.db2.gz	BUPWYDGYXVXLGL-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F	ZINC000737360774	599039111	/nfs/dbraw/zinc/03/91/11/599039111.db2.gz	BRWNLMQBYKMMKT-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F	ZINC000737360774	599039115	/nfs/dbraw/zinc/03/91/15/599039115.db2.gz	BRWNLMQBYKMMKT-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C([O-])CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000760103250	600714356	/nfs/dbraw/zinc/71/43/56/600714356.db2.gz	ONLIELXJSVJWRF-UHFFFAOYSA-N	-2	3	395.231	2.281	20	5		GEBDHL
CCC(CC)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000739254126	602564041	/nfs/dbraw/zinc/56/40/41/602564041.db2.gz	MAVQCRPYORIRAL-UHFFFAOYSA-N	-2	3	379.822	2.353	20	5		GEBDHL
Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000833745675	604903497	/nfs/dbraw/zinc/90/34/97/604903497.db2.gz	AYRPMKLLYMMLKN-UHFFFAOYSA-N	-2	3	385.376	2.269	20	5		GEBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1F	ZINC000822212917	606659204	/nfs/dbraw/zinc/65/92/04/606659204.db2.gz	NAIMUUHTTQUYQC-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1F	ZINC000822212917	606659205	/nfs/dbraw/zinc/65/92/05/606659205.db2.gz	NAIMUUHTTQUYQC-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C([N-]c1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc([N+](=O)[O-])o1	ZINC000826450862	608164106	/nfs/dbraw/zinc/16/41/06/608164106.db2.gz	HAIVNIPWBGUIJI-UHFFFAOYSA-N	-2	3	379.676	2.182	20	5		GEBDHL
CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC(=O)[O-]	ZINC000548267771	651074922	/nfs/dbraw/zinc/07/49/22/651074922.db2.gz	QRISNQMTGOQWRJ-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c[n-]1	ZINC000585730872	652535373	/nfs/dbraw/zinc/53/53/73/652535373.db2.gz	KUFMMNYTYYKKHI-UHFFFAOYSA-N	-2	3	388.789	2.257	20	5		GEBDHL
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Cl)n1	ZINC000769637038	653167519	/nfs/dbraw/zinc/16/75/19/653167519.db2.gz	CIQWOLZERDQHLS-UHFFFAOYSA-N	-2	3	387.757	2.151	20	5		GEBDHL
CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776470383	653350289	/nfs/dbraw/zinc/35/02/89/653350289.db2.gz	UHJKDHMDGYOIMQ-SNVBAGLBSA-N	-2	3	395.231	2.135	20	5		GEBDHL
C[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(=O)[O-]	ZINC000776625634	653366244	/nfs/dbraw/zinc/36/62/44/653366244.db2.gz	QTYJCFDRIWRQHK-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
C[C@]1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@]1(F)Cl	ZINC000844897813	653826933	/nfs/dbraw/zinc/82/69/33/653826933.db2.gz	FDFIBZKJAMEQIU-QWHCGFSZSA-N	-2	3	380.781	2.276	20	5		GEBDHL
C/C=C\C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000517736425	532425657	/nfs/dbraw/zinc/42/56/57/532425657.db2.gz	QDJQFKDUSZNBHD-XADBCAIWSA-N	-2	3	382.316	2.311	20	5		GEBDHL
Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1	ZINC000519820582	532480404	/nfs/dbraw/zinc/48/04/04/532480404.db2.gz	CNMHLIOXXYELIR-UHFFFAOYSA-N	-2	3	385.423	2.272	20	5		GEBDHL
Cc1sc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1[N+](=O)[O-]	ZINC000594679815	532519437	/nfs/dbraw/zinc/51/94/37/532519437.db2.gz	HOXHKTIOTSCCGI-LKFCYVNXSA-N	-2	3	384.435	2.500	20	5		GEBDHL
CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cs1	ZINC000566177869	532599465	/nfs/dbraw/zinc/59/94/65/532599465.db2.gz	XTLIQIAHYNCGCB-MRVPVSSYSA-N	-2	3	385.423	2.351	20	5		GEBDHL
Cc1cc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000285144739	532651773	/nfs/dbraw/zinc/65/17/73/532651773.db2.gz	OKCTZVPSLZQQRT-VIFPVBQESA-N	-2	3	384.332	2.225	20	5		GEBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c1[N+](=O)[O-]	ZINC000569248555	532693851	/nfs/dbraw/zinc/69/38/51/532693851.db2.gz	LJEIHEIOCXUOPC-SECBINFHSA-N	-2	3	384.332	2.143	20	5		GEBDHL
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(Br)c1[O-]	ZINC000486101026	532687936	/nfs/dbraw/zinc/68/79/36/532687936.db2.gz	IBTNDKNKEBCTTA-DUXPYHPUSA-N	-2	3	384.142	2.443	20	5		GEBDHL
O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000270414825	532797434	/nfs/dbraw/zinc/79/74/34/532797434.db2.gz	CZTXDFSKLQRQHJ-UHFFFAOYSA-N	-2	3	395.231	2.281	20	5		GEBDHL
CSCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-]	ZINC000274886347	532858849	/nfs/dbraw/zinc/85/88/49/532858849.db2.gz	DZYMTBARTGMWSC-SECBINFHSA-N	-2	3	382.847	2.041	20	5		GEBDHL
Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1	ZINC000564840083	600097021	/nfs/dbraw/zinc/09/70/21/600097021.db2.gz	PJPIDIAWJDIPLR-ZDUSSCGKSA-N	-2	3	396.396	2.264	20	5		GEBDHL
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(C(=O)[O-])C1	ZINC000739040442	601992106	/nfs/dbraw/zinc/99/21/06/601992106.db2.gz	RBQARIFDRJKTFU-ZJUUUORDSA-N	-2	3	391.833	2.305	20	5		GEBDHL
O=C([O-])NC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000832512546	603137586	/nfs/dbraw/zinc/13/75/86/603137586.db2.gz	FQASMIIFRRJJQP-CABZTGNLSA-N	-2	3	391.833	2.353	20	5		GEBDHL
O=C([O-])NC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000832512547	603137820	/nfs/dbraw/zinc/13/78/20/603137820.db2.gz	FQASMIIFRRJJQP-JOYOIKCWSA-N	-2	3	391.833	2.353	20	5		GEBDHL
CCc1nnsc1C(=O)[N-]c1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl	ZINC000825771860	608163116	/nfs/dbraw/zinc/16/31/16/608163116.db2.gz	UPPQBFXSIMNMJR-UHFFFAOYSA-N	-2	3	380.777	2.095	20	5		GEBDHL
CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cc1C	ZINC000825718284	608753588	/nfs/dbraw/zinc/75/35/88/608753588.db2.gz	YTSGMHVLEGMTDJ-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1C	ZINC000825718284	608753591	/nfs/dbraw/zinc/75/35/91/608753591.db2.gz	YTSGMHVLEGMTDJ-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1	ZINC000534048649	650768599	/nfs/dbraw/zinc/76/85/99/650768599.db2.gz	OSJJEVPHIAMNNM-UHFFFAOYSA-N	-2	3	382.316	2.289	20	5		GEBDHL
O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1	ZINC000327292340	647306989	/nfs/dbraw/zinc/30/69/89/647306989.db2.gz	JFUUQDHTBQOUEP-UHFFFAOYSA-N	-2	3	384.797	2.467	20	5		GEBDHL
CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000570808472	651792917	/nfs/dbraw/zinc/79/29/17/651792917.db2.gz	CJYWJGKCXJXUTD-SNVBAGLBSA-N	-2	3	384.332	2.391	20	5		GEBDHL
O=C([O-])CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1	ZINC000572117984	651874305	/nfs/dbraw/zinc/87/43/05/651874305.db2.gz	HPLWTTAFHBVZHG-UHFFFAOYSA-N	-2	3	382.316	2.289	20	5		GEBDHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]CCCCc1ccc([N+](=O)[O-])cc1	ZINC000584111101	652509529	/nfs/dbraw/zinc/50/95/29/652509529.db2.gz	LUVQIOWGGQLTFQ-UHFFFAOYSA-N	-2	3	385.423	2.051	20	5		GEBDHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1	ZINC000776577633	653361443	/nfs/dbraw/zinc/36/14/43/653361443.db2.gz	PAJMHGADIXLQND-SNVBAGLBSA-N	-2	3	382.316	2.145	20	5		GEBDHL
C[C@H](CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776622179	653365924	/nfs/dbraw/zinc/36/59/24/653365924.db2.gz	DZWPCGUFDUWHQJ-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
C[C@]1(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@]1(F)Cl	ZINC000844898113	653827095	/nfs/dbraw/zinc/82/70/95/653827095.db2.gz	GMNTXUYRGHVJPF-QWHCGFSZSA-N	-2	3	380.781	2.276	20	5		GEBDHL
Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000526060713	532539202	/nfs/dbraw/zinc/53/92/02/532539202.db2.gz	QWBUVOUYTBVJGL-LBPRGKRZSA-N	-2	3	385.423	2.081	20	5		GEBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c1[N+](=O)[O-]	ZINC000567114547	532641892	/nfs/dbraw/zinc/64/18/92/532641892.db2.gz	QYDWPIGOOONKAJ-UHFFFAOYSA-N	-2	3	378.353	2.397	20	5		GEBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccsc1	ZINC000567367683	532652653	/nfs/dbraw/zinc/65/26/53/532652653.db2.gz	SOMUYDHPVRHWHY-NSHDSACASA-N	-2	3	386.407	2.159	20	5		GEBDHL
C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)o1	ZINC000538648962	532714708	/nfs/dbraw/zinc/71/47/08/532714708.db2.gz	DBQQAZGWSRYEHD-UHFFFAOYSA-N	-2	3	389.773	2.016	20	5		GEBDHL
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	ZINC000327552633	532792277	/nfs/dbraw/zinc/79/22/77/532792277.db2.gz	YTEKUUTVHKCASQ-LBPRGKRZSA-N	-2	3	384.797	2.395	20	5		GEBDHL
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000274942640	532860050	/nfs/dbraw/zinc/86/00/50/532860050.db2.gz	FGQNLDAZEQEPLC-JTQLQIEISA-N	-2	3	395.231	2.135	20	5		GEBDHL
C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000274977104	532860780	/nfs/dbraw/zinc/86/07/80/532860780.db2.gz	LCBAHPAYLMRDTB-MRVPVSSYSA-N	-2	3	395.231	2.279	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F	ZINC000737372940	598841277	/nfs/dbraw/zinc/84/12/77/598841277.db2.gz	NBLWQFUPOUZOQR-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000737372940	598841278	/nfs/dbraw/zinc/84/12/78/598841278.db2.gz	NBLWQFUPOUZOQR-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000737347770	599039364	/nfs/dbraw/zinc/03/93/64/599039364.db2.gz	QUSCFPHSVGHAJK-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000737347770	599039367	/nfs/dbraw/zinc/03/93/67/599039367.db2.gz	QUSCFPHSVGHAJK-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000737283244	598593703	/nfs/dbraw/zinc/59/37/03/598593703.db2.gz	CIJUJHSYXKQXKY-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000737283244	598593704	/nfs/dbraw/zinc/59/37/04/598593704.db2.gz	CIJUJHSYXKQXKY-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(C(=O)[O-])C1	ZINC000739040439	601992102	/nfs/dbraw/zinc/99/21/02/601992102.db2.gz	RBQARIFDRJKTFU-UWVGGRQHSA-N	-2	3	391.833	2.305	20	5		GEBDHL
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c(C(=O)[O-])c1	ZINC000507620215	605142352	/nfs/dbraw/zinc/14/23/52/605142352.db2.gz	JDXXCNKUZYMXOP-UHFFFAOYSA-N	-3	3	382.350	2.116	20	5		GEBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-]	ZINC000826291634	608101183	/nfs/dbraw/zinc/10/11/83/608101183.db2.gz	OMYDNBKKYIUGCE-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-]	ZINC000826291634	608101184	/nfs/dbraw/zinc/10/11/84/608101184.db2.gz	OMYDNBKKYIUGCE-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000261615700	645590011	/nfs/dbraw/zinc/59/00/11/645590011.db2.gz	AZWOSPBYINGPQY-CPCISQLKSA-N	-2	3	384.332	2.391	20	5		GEBDHL
C[C@H](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000274938122	646335858	/nfs/dbraw/zinc/33/58/58/646335858.db2.gz	FRGKLUJVWCKCHC-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000548547704	651079856	/nfs/dbraw/zinc/07/98/56/651079856.db2.gz	HSBULLURFJWMJU-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
C/C=C\C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000575985710	652089343	/nfs/dbraw/zinc/08/93/43/652089343.db2.gz	ZBNRGONVGYAXNV-ZMWSMAPVSA-N	-2	3	382.316	2.311	20	5		GEBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1	ZINC000583938475	652503396	/nfs/dbraw/zinc/50/33/96/652503396.db2.gz	YHUOHTQUBCWPTE-SECBINFHSA-N	-2	3	378.353	2.397	20	5		GEBDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768888087	653136241	/nfs/dbraw/zinc/13/62/41/653136241.db2.gz	KOAPSVXHDPZBJC-UHFFFAOYSA-N	-2	3	391.452	2.137	20	5		GEBDHL
C[C@@H](CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776622180	653365840	/nfs/dbraw/zinc/36/58/40/653365840.db2.gz	DZWPCGUFDUWHQJ-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1	ZINC000840786933	653693948	/nfs/dbraw/zinc/69/39/48/653693948.db2.gz	ZLLUHMXRKPXGFP-VIFPVBQESA-N	-2	3	382.316	2.145	20	5		GEBDHL
CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(C)cs1	ZINC000273787518	532834558	/nfs/dbraw/zinc/83/45/58/532834558.db2.gz	ZUGNFGBDBIKODO-LBPRGKRZSA-N	-2	3	385.423	2.488	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1	ZINC000738358960	599040026	/nfs/dbraw/zinc/04/00/26/599040026.db2.gz	GUQXKAMVYGBXFQ-UHFFFAOYSA-N	-2	3	385.365	2.057	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1	ZINC000738358960	599040029	/nfs/dbraw/zinc/04/00/29/599040029.db2.gz	GUQXKAMVYGBXFQ-UHFFFAOYSA-N	-2	3	385.365	2.057	20	5		GEBDHL
Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000822035620	599689763	/nfs/dbraw/zinc/68/97/63/599689763.db2.gz	XRVYMPPWPLFASU-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000822035620	599689764	/nfs/dbraw/zinc/68/97/64/599689764.db2.gz	XRVYMPPWPLFASU-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C([O-])NC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000740559645	603087339	/nfs/dbraw/zinc/08/73/39/603087339.db2.gz	GFCZFATUNVACGT-UHFFFAOYSA-N	-2	3	377.806	2.105	20	5		GEBDHL
C[C@H](NC(=O)[O-])c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000825402411	604334807	/nfs/dbraw/zinc/33/48/07/604334807.db2.gz	LHVDIUGQGXKSQP-NSHDSACASA-N	-2	3	379.394	2.402	20	5		GEBDHL
COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1F	ZINC000833728587	605330928	/nfs/dbraw/zinc/33/09/28/605330928.db2.gz	GKUIMOWBPSADHS-UHFFFAOYSA-N	-2	3	388.304	2.381	20	5		GEBDHL
COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000826159153	608567249	/nfs/dbraw/zinc/56/72/49/608567249.db2.gz	SXGJVSNTSVZPQJ-UHFFFAOYSA-N	-2	3	384.396	2.129	20	5		GEBDHL
Cc1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826299740	609161292	/nfs/dbraw/zinc/16/12/92/609161292.db2.gz	SOJRFDCCRXLCHN-UHFFFAOYSA-N	-2	3	388.409	2.068	20	5		GEBDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000460842128	650446839	/nfs/dbraw/zinc/44/68/39/650446839.db2.gz	WZDXLIMBMRFTCR-UHFFFAOYSA-N	-2	3	385.423	2.076	20	5		GEBDHL
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]N=c1c(F)c(F)[n-]c(F)c1F	ZINC000105386811	643204667	/nfs/dbraw/zinc/20/46/67/643204667.db2.gz	BCBYWPVFNLFEKC-UHFFFAOYSA-N	-2	3	380.279	2.160	20	5		GEBDHL
CC(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000261757353	645597473	/nfs/dbraw/zinc/59/74/73/645597473.db2.gz	XIDLEHDACAUHKS-JTQLQIEISA-N	-2	3	395.231	2.135	20	5		GEBDHL
O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1	ZINC000270419362	646105827	/nfs/dbraw/zinc/10/58/27/646105827.db2.gz	DZIRIIJZSCISLJ-UHFFFAOYSA-N	-2	3	393.215	2.033	20	5		GEBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCC1	ZINC000548239671	651071238	/nfs/dbraw/zinc/07/12/38/651071238.db2.gz	DCCAUYLAFSJBBA-LLVKDONJSA-N	-2	3	382.316	2.145	20	5		GEBDHL
CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1nc(C)cs1	ZINC000579587416	652345663	/nfs/dbraw/zinc/34/56/63/652345663.db2.gz	ILGZCOGXJVVVKC-LLVKDONJSA-N	-2	3	385.423	2.488	20	5		GEBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)cc1[N+](=O)[O-]	ZINC000809226118	653256732	/nfs/dbraw/zinc/25/67/32/653256732.db2.gz	MXERWZHJSJCQLM-SSDOTTSWSA-N	-2	3	386.760	2.191	20	5		GEBDHL
CCC[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000591243072	532402702	/nfs/dbraw/zinc/40/27/02/532402702.db2.gz	LYGDKEZLTMOXJL-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000521579966	532515858	/nfs/dbraw/zinc/51/58/58/532515858.db2.gz	CKGAEGBCIGBHQZ-VIFPVBQESA-N	-2	3	384.332	2.391	20	5		GEBDHL
O=C([O-])c1nscc1S(=O)(=O)[N-]CCCCc1ccc([N+](=O)[O-])cc1	ZINC000566177034	532597891	/nfs/dbraw/zinc/59/78/91/532597891.db2.gz	PLGXEFNVDNNMMF-UHFFFAOYSA-N	-2	3	385.423	2.051	20	5		GEBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccs1	ZINC000603640298	532696822	/nfs/dbraw/zinc/69/68/22/532696822.db2.gz	XKSWTEZTHJCKFU-JTQLQIEISA-N	-2	3	386.407	2.159	20	5		GEBDHL
O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000392637961	532707971	/nfs/dbraw/zinc/70/79/71/532707971.db2.gz	YHQIUTWQHGEPDI-UHFFFAOYSA-N	-2	3	384.797	2.467	20	5		GEBDHL
CCCSC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000547910438	532788081	/nfs/dbraw/zinc/78/80/81/532788081.db2.gz	KPWQQVFQGHNTDX-LLVKDONJSA-N	-2	3	376.456	2.086	20	5		GEBDHL
O=C([O-])Cc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000326991752	532790803	/nfs/dbraw/zinc/79/08/03/532790803.db2.gz	BDRMCONWVNLWQC-UHFFFAOYSA-N	-2	3	384.797	2.354	20	5		GEBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c1	ZINC000414349747	532821788	/nfs/dbraw/zinc/82/17/88/532821788.db2.gz	SXBFUBOXIAHVMT-VIFPVBQESA-N	-2	3	378.353	2.397	20	5		GEBDHL
CSc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1	ZINC000737191064	599039280	/nfs/dbraw/zinc/03/92/80/599039280.db2.gz	LKAQHMWOUHIHSY-UHFFFAOYSA-N	-2	3	392.422	2.298	20	5		GEBDHL
CSc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1	ZINC000737191064	599039283	/nfs/dbraw/zinc/03/92/83/599039283.db2.gz	LKAQHMWOUHIHSY-UHFFFAOYSA-N	-2	3	392.422	2.298	20	5		GEBDHL
Cc1c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000738276263	600628386	/nfs/dbraw/zinc/62/83/86/600628386.db2.gz	PJBBXEMWOURIDD-UHFFFAOYSA-N	-2	3	395.353	2.241	20	5		GEBDHL
O=C([O-])C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1	ZINC000760104727	600703301	/nfs/dbraw/zinc/70/33/01/600703301.db2.gz	ZTNVERKHYPTMPS-UHFFFAOYSA-N	-2	3	393.215	2.033	20	5		GEBDHL
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000822205965	607154371	/nfs/dbraw/zinc/15/43/71/607154371.db2.gz	PCHGCTAORVIONI-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000822205965	607154372	/nfs/dbraw/zinc/15/43/72/607154372.db2.gz	PCHGCTAORVIONI-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826451387	608168571	/nfs/dbraw/zinc/16/85/71/608168571.db2.gz	DWGOOYZLYDKGBR-OAHLLOKOSA-N	-2	3	395.379	2.088	20	5		GEBDHL
Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000274995879	646341157	/nfs/dbraw/zinc/34/11/57/646341157.db2.gz	ACUGOMWBZFFQPV-QMMMGPOBSA-N	-2	3	390.723	2.241	20	5		GEBDHL
O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000571294430	651824339	/nfs/dbraw/zinc/82/43/39/651824339.db2.gz	CXZFGUDWKVRPKX-ZCFIWIBFSA-N	-2	3	392.258	2.000	20	5		GEBDHL
CCC[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000591243071	532403830	/nfs/dbraw/zinc/40/38/30/532403830.db2.gz	LYGDKEZLTMOXJL-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CC[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000297129638	532568913	/nfs/dbraw/zinc/56/89/13/532568913.db2.gz	HHBMIFSZCFDOMM-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
Cc1nc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000566184865	532599182	/nfs/dbraw/zinc/59/91/82/532599182.db2.gz	RILFJVALRBNUJY-VIFPVBQESA-N	-2	3	385.423	2.406	20	5		GEBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F	ZINC000285067319	532644180	/nfs/dbraw/zinc/64/41/80/532644180.db2.gz	KJYVFVYEQHRCEY-SECBINFHSA-N	-2	3	384.332	2.225	20	5		GEBDHL
O=C([O-])Cc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000327076431	532791722	/nfs/dbraw/zinc/79/17/22/532791722.db2.gz	USGGNZTVAUDXDE-UHFFFAOYSA-N	-2	3	384.797	2.354	20	5		GEBDHL
C[C@H](CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274971458	532860550	/nfs/dbraw/zinc/86/05/50/532860550.db2.gz	KJIZYEPLWJWMEK-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
CC[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000275008109	532861408	/nfs/dbraw/zinc/86/14/08/532861408.db2.gz	PLHXQDMWVXVZMK-LBPRGKRZSA-N	-2	3	395.231	2.137	20	5		GEBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)c1	ZINC000421813754	532890783	/nfs/dbraw/zinc/89/07/83/532890783.db2.gz	OSDCDAJVAGUOQT-NSHDSACASA-N	-2	3	386.451	2.105	20	5		GEBDHL
Cc1c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cccc1-c1nnn[n-]1	ZINC000822130271	607255272	/nfs/dbraw/zinc/25/52/72/607255272.db2.gz	SLDSNRGOCZVFTL-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cccc1-c1nn[n-]n1	ZINC000822130271	607255273	/nfs/dbraw/zinc/25/52/73/607255273.db2.gz	SLDSNRGOCZVFTL-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1F	ZINC000737280040	599041886	/nfs/dbraw/zinc/04/18/86/599041886.db2.gz	JMVHNKFKVZSKRA-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1F	ZINC000737280040	599041889	/nfs/dbraw/zinc/04/18/89/599041889.db2.gz	JMVHNKFKVZSKRA-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-]	ZINC000737262367	599236479	/nfs/dbraw/zinc/23/64/79/599236479.db2.gz	FKROCIOZXAZYQH-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F	ZINC000822331958	607328131	/nfs/dbraw/zinc/32/81/31/607328131.db2.gz	JVWJEQUCHMXZFD-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739040440	601991920	/nfs/dbraw/zinc/99/19/20/601991920.db2.gz	RBQARIFDRJKTFU-VHSXEESVSA-N	-2	3	391.833	2.305	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1	ZINC000823635276	606871191	/nfs/dbraw/zinc/87/11/91/606871191.db2.gz	UVLZTRWTRACZQS-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1	ZINC000823635276	606871192	/nfs/dbraw/zinc/87/11/92/606871192.db2.gz	UVLZTRWTRACZQS-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000823440402	607205543	/nfs/dbraw/zinc/20/55/43/607205543.db2.gz	RQSDPJBVTFGLAR-UHFFFAOYSA-N	-2	3	380.320	2.090	20	5		GEBDHL
CCC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000614343589	651822461	/nfs/dbraw/zinc/82/24/61/651822461.db2.gz	IQVKKMMCLSXFDV-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)s1	ZINC000580711964	652389670	/nfs/dbraw/zinc/38/96/70/652389670.db2.gz	ROJKGYCPXWQCEB-UHFFFAOYSA-N	-2	3	385.423	2.099	20	5		GEBDHL
CS(C)(=O)=Nc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000821111560	653791002	/nfs/dbraw/zinc/79/10/02/653791002.db2.gz	OLQKNNRHHWSUKA-UHFFFAOYSA-N	-2	3	385.423	2.460	20	5		GEBDHL
C[C@@]1(CC[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@]1(F)Cl	ZINC000844897762	653826939	/nfs/dbraw/zinc/82/69/39/653826939.db2.gz	DCZHDWVWHBMUOW-OLZOCXBDSA-N	-2	3	380.781	2.276	20	5		GEBDHL
C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@]1(F)Cl	ZINC000844898111	653827175	/nfs/dbraw/zinc/82/71/75/653827175.db2.gz	GMNTXUYRGHVJPF-OLZOCXBDSA-N	-2	3	380.781	2.276	20	5		GEBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O	ZINC000032595867	531655158	/nfs/dbraw/zinc/65/51/58/531655158.db2.gz	OWMHJJBSPZELNL-UHFFFAOYSA-N	-2	3	385.423	2.076	20	5		GEBDHL
CC(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000261649858	532576675	/nfs/dbraw/zinc/57/66/75/532576675.db2.gz	HMCORWFHKCUJNH-JTQLQIEISA-N	-2	3	384.332	2.391	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ncc(C(=O)[O-])s2)cc1C	ZINC000566241279	532602381	/nfs/dbraw/zinc/60/23/81/532602381.db2.gz	WZDMCVGHNXNYSP-VIFPVBQESA-N	-2	3	385.423	2.406	20	5		GEBDHL
CCCSC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000547910439	532788294	/nfs/dbraw/zinc/78/82/94/532788294.db2.gz	KPWQQVFQGHNTDX-NSHDSACASA-N	-2	3	376.456	2.086	20	5		GEBDHL
CSCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-]	ZINC000274886349	532859182	/nfs/dbraw/zinc/85/91/82/532859182.db2.gz	DZYMTBARTGMWSC-VIFPVBQESA-N	-2	3	382.847	2.041	20	5		GEBDHL
Cc1c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cccc1-c1nnn[n-]1	ZINC000822122562	607254982	/nfs/dbraw/zinc/25/49/82/607254982.db2.gz	NZEJCSFZJRQPIK-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cccc1-c1nn[n-]n1	ZINC000822122562	607254983	/nfs/dbraw/zinc/25/49/83/607254983.db2.gz	NZEJCSFZJRQPIK-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc21	ZINC000737612862	599236608	/nfs/dbraw/zinc/23/66/08/599236608.db2.gz	JVGWDYWDVXYXCU-UHFFFAOYSA-N	-2	3	399.392	2.067	20	5		GEBDHL
Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc21	ZINC000737612862	599236609	/nfs/dbraw/zinc/23/66/09/599236609.db2.gz	JVGWDYWDVXYXCU-UHFFFAOYSA-N	-2	3	399.392	2.067	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)c1C	ZINC000822270927	607328193	/nfs/dbraw/zinc/32/81/93/607328193.db2.gz	DJBMHRGFJBBXBQ-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1	ZINC000740025728	600447558	/nfs/dbraw/zinc/44/75/58/600447558.db2.gz	VNSXSDBTTRZQBW-UHFFFAOYSA-N	-2	3	383.357	2.345	20	5		GEBDHL
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1	ZINC000739040994	601994481	/nfs/dbraw/zinc/99/44/81/601994481.db2.gz	XQTWQYCNSLBLRI-UWVGGRQHSA-N	-2	3	391.833	2.305	20	5		GEBDHL
Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1C1CCN(C(=O)[O-])CC1	ZINC000740041620	602109292	/nfs/dbraw/zinc/10/92/92/602109292.db2.gz	KUFNTEXBDUIBCY-UHFFFAOYSA-N	-2	3	392.347	2.201	20	5		GEBDHL
O=C([O-])NC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000740559716	603087295	/nfs/dbraw/zinc/08/72/95/603087295.db2.gz	IZFHOOVOWGRYBB-UHFFFAOYSA-N	-2	3	377.806	2.105	20	5		GEBDHL
CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F	ZINC000825718071	607683977	/nfs/dbraw/zinc/68/39/77/607683977.db2.gz	UYEUMPLOLWSRED-UHFFFAOYSA-N	-2	3	392.372	2.277	20	5		GEBDHL
CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F	ZINC000825718071	607683978	/nfs/dbraw/zinc/68/39/78/607683978.db2.gz	UYEUMPLOLWSRED-UHFFFAOYSA-N	-2	3	392.372	2.277	20	5		GEBDHL
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000261722148	604872713	/nfs/dbraw/zinc/87/27/13/604872713.db2.gz	REIROVSMUCRVJL-UHFFFAOYSA-N	-2	3	395.231	2.279	20	5		GEBDHL
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000822213207	606331409	/nfs/dbraw/zinc/33/14/09/606331409.db2.gz	ZAUMQSPBXJSXPV-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)ccc2c1	ZINC000823644639	607099462	/nfs/dbraw/zinc/09/94/62/607099462.db2.gz	JSNCEKXUDQGQON-UHFFFAOYSA-N	-2	3	397.376	2.124	20	5		GEBDHL
O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)ccc2c1	ZINC000823644639	607099463	/nfs/dbraw/zinc/09/94/63/607099463.db2.gz	JSNCEKXUDQGQON-UHFFFAOYSA-N	-2	3	397.376	2.124	20	5		GEBDHL
CCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1C	ZINC000825700574	609313402	/nfs/dbraw/zinc/31/34/02/609313402.db2.gz	KXLSGOVYLDVSNO-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
CCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1C	ZINC000825700574	609313403	/nfs/dbraw/zinc/31/34/03/609313403.db2.gz	KXLSGOVYLDVSNO-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c1[N+](=O)[O-]	ZINC000514733816	650578137	/nfs/dbraw/zinc/57/81/37/650578137.db2.gz	POGFGBSULNVBQF-VIFPVBQESA-N	-2	3	378.353	2.397	20	5		GEBDHL
CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(=O)[O-]	ZINC000548591044	651081267	/nfs/dbraw/zinc/08/12/67/651081267.db2.gz	ACENWSQLNCTUGB-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
Cc1ccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c([N+](=O)[O-])c1	ZINC000551997432	651137159	/nfs/dbraw/zinc/13/71/59/651137159.db2.gz	FSLFETQADZYPNH-SECBINFHSA-N	-2	3	384.332	2.225	20	5		GEBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1	ZINC000560896660	651471992	/nfs/dbraw/zinc/47/19/92/651471992.db2.gz	SUOCSLKXEAGZNQ-LLVKDONJSA-N	-2	3	382.316	2.145	20	5		GEBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1	ZINC000583938476	652503421	/nfs/dbraw/zinc/50/34/21/652503421.db2.gz	YHUOHTQUBCWPTE-VIFPVBQESA-N	-2	3	378.353	2.397	20	5		GEBDHL
O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000853070475	654276523	/nfs/dbraw/zinc/27/65/23/654276523.db2.gz	WZJPUHWHEYKRAF-MRVPVSSYSA-N	-2	3	380.300	2.065	20	5		GEBDHL
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000517366552	532415014	/nfs/dbraw/zinc/41/50/14/532415014.db2.gz	HBMVUZMRXVMIOL-SCZZXKLOSA-N	-2	3	382.316	2.145	20	5		GEBDHL
C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000593272748	532479624	/nfs/dbraw/zinc/47/96/24/532479624.db2.gz	BGFJEFUTRCJPOL-ZETCQYMHSA-N	-2	3	382.316	2.145	20	5		GEBDHL
CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1C(=O)[O-]	ZINC000565574291	532569597	/nfs/dbraw/zinc/56/95/97/532569597.db2.gz	BCMMBNBTKQZZOW-UHFFFAOYSA-N	-2	3	385.423	2.099	20	5		GEBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1	ZINC000603640299	532696564	/nfs/dbraw/zinc/69/65/64/532696564.db2.gz	XKSWTEZTHJCKFU-SNVBAGLBSA-N	-2	3	386.407	2.159	20	5		GEBDHL
O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000287689191	532806194	/nfs/dbraw/zinc/80/61/94/532806194.db2.gz	WYVHCJMXMVLVJX-SNVBAGLBSA-N	-2	3	382.316	2.145	20	5		GEBDHL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1Cl	ZINC000738359660	598842650	/nfs/dbraw/zinc/84/26/50/598842650.db2.gz	LIXGKUCNBICBMH-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1Cl	ZINC000738359660	598842652	/nfs/dbraw/zinc/84/26/52/598842652.db2.gz	LIXGKUCNBICBMH-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000737218550	598593890	/nfs/dbraw/zinc/59/38/90/598593890.db2.gz	LQFYSNQCEBOCKK-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000825449578	603403021	/nfs/dbraw/zinc/40/30/21/603403021.db2.gz	UHWSXQQFWPTQLJ-VIFPVBQESA-N	-3	3	381.366	2.430	20	5		GEBDHL
CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cc1F	ZINC000825717612	607684003	/nfs/dbraw/zinc/68/40/03/607684003.db2.gz	NRIUILFLMWTORZ-UHFFFAOYSA-N	-2	3	392.372	2.277	20	5		GEBDHL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)ccc1F	ZINC000822210560	607155527	/nfs/dbraw/zinc/15/55/27/607155527.db2.gz	HSYUGDFUMHPGAW-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)ccc1F	ZINC000822210560	607155529	/nfs/dbraw/zinc/15/55/29/607155529.db2.gz	HSYUGDFUMHPGAW-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1)c1nccs1	ZINC000518370056	650604005	/nfs/dbraw/zinc/60/40/05/650604005.db2.gz	LLMXIZREXDTAMG-LLVKDONJSA-N	-2	3	385.423	2.488	20	5		GEBDHL
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000275257835	646350422	/nfs/dbraw/zinc/35/04/22/646350422.db2.gz	LXIGVQAMIHAFIC-MGCOHNPYSA-N	-2	3	376.818	2.418	20	5		GEBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000548545112	651079735	/nfs/dbraw/zinc/07/97/35/651079735.db2.gz	TVTJJASWUKKHIR-ZDUSSCGKSA-N	-2	3	388.760	2.492	20	5		GEBDHL
Cc1ccc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c([N+](=O)[O-])c1	ZINC000551997433	651137199	/nfs/dbraw/zinc/13/71/99/651137199.db2.gz	FSLFETQADZYPNH-VIFPVBQESA-N	-2	3	384.332	2.225	20	5		GEBDHL
Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)sc1C	ZINC000582244548	652442168	/nfs/dbraw/zinc/44/21/68/652442168.db2.gz	FDCFJRRFWAWQJH-UHFFFAOYSA-N	-2	3	385.423	2.153	20	5		GEBDHL
CC(C)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000760116358	652595842	/nfs/dbraw/zinc/59/58/42/652595842.db2.gz	CVUDEIRGHICPDT-JTQLQIEISA-N	-2	3	395.231	2.135	20	5		GEBDHL
CCCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000764915708	652815321	/nfs/dbraw/zinc/81/53/21/652815321.db2.gz	NXJZTWZOYKWVTF-JTQLQIEISA-N	-2	3	395.231	2.279	20	5		GEBDHL
CC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(=O)[O-]	ZINC000776627737	653366363	/nfs/dbraw/zinc/36/63/63/653366363.db2.gz	JUHAYNIFZLTRDL-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
Cc1sc(S(=O)(=O)[N-]C[C@@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-]	ZINC000593219983	532475898	/nfs/dbraw/zinc/47/58/98/532475898.db2.gz	BPNWKAPNPMALSS-OAHLLOKOSA-N	-2	3	384.435	2.286	20	5		GEBDHL
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000261735627	532578716	/nfs/dbraw/zinc/57/87/16/532578716.db2.gz	TWDPTDMAIAGPEI-UHFFFAOYSA-N	-2	3	395.231	2.279	20	5		GEBDHL
O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000326575451	532790210	/nfs/dbraw/zinc/79/02/10/532790210.db2.gz	CBIRREFVFTYBJD-LBPRGKRZSA-N	-2	3	384.797	2.222	20	5		GEBDHL
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000275376111	532874299	/nfs/dbraw/zinc/87/42/99/532874299.db2.gz	ZGVCBCSMKBRMIH-ZETCQYMHSA-N	-2	3	390.723	2.241	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826293431	608307269	/nfs/dbraw/zinc/30/72/69/608307269.db2.gz	OZFXMRXZUVDNIR-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826293431	608307270	/nfs/dbraw/zinc/30/72/70/608307270.db2.gz	OZFXMRXZUVDNIR-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000460830527	650446208	/nfs/dbraw/zinc/44/62/08/650446208.db2.gz	LWSIFPIUFMZGCY-UHFFFAOYSA-N	-2	3	385.423	2.076	20	5		GEBDHL
Cc1cc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000524548425	650643041	/nfs/dbraw/zinc/64/30/41/650643041.db2.gz	GEVCAGFSWOFSOA-UHFFFAOYSA-N	-2	3	385.423	2.076	20	5		GEBDHL
C[C@H](CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000560896468	651471756	/nfs/dbraw/zinc/47/17/56/651471756.db2.gz	AZGSWWZPRXNJFF-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
C[C@]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C(=O)[O-])C1CC1	ZINC000570512881	651771714	/nfs/dbraw/zinc/77/17/14/651771714.db2.gz	VOAXBKGQVHYSLA-GFCCVEGCSA-N	-2	3	382.316	2.145	20	5		GEBDHL
C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000575985709	652089282	/nfs/dbraw/zinc/08/92/82/652089282.db2.gz	ZBNRGONVGYAXNV-VMZHVLLKSA-N	-2	3	382.316	2.311	20	5		GEBDHL
C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000575985708	652089436	/nfs/dbraw/zinc/08/94/36/652089436.db2.gz	ZBNRGONVGYAXNV-PBKGFPTLSA-N	-2	3	382.316	2.311	20	5		GEBDHL
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000576491158	652122209	/nfs/dbraw/zinc/12/22/09/652122209.db2.gz	GCFWZQJHVRJLOV-SFYZADRCSA-N	-2	3	382.316	2.145	20	5		GEBDHL
CC[C@@](C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776628691	653366705	/nfs/dbraw/zinc/36/67/05/653366705.db2.gz	UVQQVBNUHREJMF-LBPRGKRZSA-N	-2	3	395.231	2.137	20	5		GEBDHL
C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776634783	653367273	/nfs/dbraw/zinc/36/72/73/653367273.db2.gz	NODLOPJIGPXNNS-QMMMGPOBSA-N	-2	3	395.231	2.279	20	5		GEBDHL
C[C@]1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1(Cl)Cl	ZINC000844889444	653824482	/nfs/dbraw/zinc/82/44/82/653824482.db2.gz	NEVKNBKFJMDGGK-LLVKDONJSA-N	-2	3	383.209	2.155	20	5		GEBDHL
CCCC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262667700	532596193	/nfs/dbraw/zinc/59/61/93/532596193.db2.gz	NZTAGVUOEOTZBY-LLVKDONJSA-N	-2	3	395.231	2.279	20	5		GEBDHL
C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000328066840	532794165	/nfs/dbraw/zinc/79/41/65/532794165.db2.gz	QENRFCQAFCCWRB-PELKAZGASA-N	-2	3	394.833	2.183	20	5		GEBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000274871952	532858229	/nfs/dbraw/zinc/85/82/29/532858229.db2.gz	ASBYLYSOXZQFRU-UHFFFAOYSA-N	-2	3	376.818	2.478	20	5		GEBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)c1	ZINC000421813753	532890707	/nfs/dbraw/zinc/89/07/07/532890707.db2.gz	OSDCDAJVAGUOQT-LLVKDONJSA-N	-2	3	386.451	2.105	20	5		GEBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000737409105	598593927	/nfs/dbraw/zinc/59/39/27/598593927.db2.gz	AWKHYXWBCUSEJQ-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000737409105	598593929	/nfs/dbraw/zinc/59/39/29/598593929.db2.gz	AWKHYXWBCUSEJQ-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)ccc1Cl	ZINC000738358935	598595981	/nfs/dbraw/zinc/59/59/81/598595981.db2.gz	FUOYRJSVPWFLHK-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
CC[C@]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000736923167	600135986	/nfs/dbraw/zinc/13/59/86/600135986.db2.gz	FKGJVNLVAXJELC-QGZVFWFLSA-N	-2	3	394.405	2.272	20	5		GEBDHL
O=C([O-])N1CCCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000740520805	602866893	/nfs/dbraw/zinc/86/68/93/602866893.db2.gz	USDPBBVFSRQHQM-VIFPVBQESA-N	-2	3	377.806	2.059	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1-c1nnn[n-]1	ZINC000823648423	607154764	/nfs/dbraw/zinc/15/47/64/607154764.db2.gz	WUKBQSWOUZVDHU-UHFFFAOYSA-N	-2	3	386.393	2.064	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1-c1nn[n-]n1	ZINC000823648423	607154765	/nfs/dbraw/zinc/15/47/65/607154765.db2.gz	WUKBQSWOUZVDHU-UHFFFAOYSA-N	-2	3	386.393	2.064	20	5		GEBDHL
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000826497538	609338887	/nfs/dbraw/zinc/33/88/87/609338887.db2.gz	KNZMFULFPKPGFC-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000826497538	609338888	/nfs/dbraw/zinc/33/88/88/609338888.db2.gz	KNZMFULFPKPGFC-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1	ZINC000499283495	650878769	/nfs/dbraw/zinc/87/87/69/650878769.db2.gz	YMBGEXZJJUEGAS-XMMPIXPASA-N	-2	3	384.435	2.288	20	5		GEBDHL
C[C@H](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000275020832	646342804	/nfs/dbraw/zinc/34/28/04/646342804.db2.gz	RPTNIHHFAIBLDB-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000393111554	647896182	/nfs/dbraw/zinc/89/61/82/647896182.db2.gz	LUDHCLGSMKKNKZ-UHFFFAOYSA-N	-2	3	384.797	2.467	20	5		GEBDHL
C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000571981125	651865199	/nfs/dbraw/zinc/86/51/99/651865199.db2.gz	IDIMUWSBTCRSIN-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CC[C@](C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000572128458	651874636	/nfs/dbraw/zinc/87/46/36/651874636.db2.gz	XGNCTNYDAVKQGY-GFCCVEGCSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CC(C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(=O)[O-]	ZINC000776570403	653359545	/nfs/dbraw/zinc/35/95/45/653359545.db2.gz	BCABHWDEKQQZRG-UHFFFAOYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776632114	653366680	/nfs/dbraw/zinc/36/66/80/653366680.db2.gz	FJFHEMHPWRZSCU-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000526059421	532537667	/nfs/dbraw/zinc/53/76/67/532537667.db2.gz	LWPDSPMMGHUHAJ-SNVBAGLBSA-N	-2	3	391.814	2.117	20	5		GEBDHL
C[C@](CCF)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000594720524	532521499	/nfs/dbraw/zinc/52/14/99/532521499.db2.gz	OUWOMTVCSAMEOZ-LLVKDONJSA-N	-2	3	388.295	2.095	20	5		GEBDHL
Cc1sc(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000555633562	532808241	/nfs/dbraw/zinc/80/82/41/532808241.db2.gz	GMLWHYLMRLXGME-UHFFFAOYSA-N	-2	3	392.361	2.420	20	5		GEBDHL
Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000737613392	599042516	/nfs/dbraw/zinc/04/25/16/599042516.db2.gz	NEICREGDEUOWHH-UHFFFAOYSA-N	-2	3	399.392	2.067	20	5		GEBDHL
Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000737613392	599042519	/nfs/dbraw/zinc/04/25/19/599042519.db2.gz	NEICREGDEUOWHH-UHFFFAOYSA-N	-2	3	399.392	2.067	20	5		GEBDHL
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000738366945	598594394	/nfs/dbraw/zinc/59/43/94/598594394.db2.gz	LCMABUNSXZOXSR-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000738366945	598594395	/nfs/dbraw/zinc/59/43/95/598594395.db2.gz	LCMABUNSXZOXSR-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cc(F)ccc1F	ZINC000614337392	599813636	/nfs/dbraw/zinc/81/36/36/599813636.db2.gz	LMTFTQNIQOSBPD-NSHDSACASA-N	-2	3	378.334	2.039	20	5		GEBDHL
COc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)ccc1[N+](=O)[O-]	ZINC000832097779	602308286	/nfs/dbraw/zinc/30/82/86/602308286.db2.gz	LNZWJASHMMWMHJ-UHFFFAOYSA-N	-2	3	388.304	2.381	20	5		GEBDHL
CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)NC(=O)[O-]	ZINC000826561404	603478397	/nfs/dbraw/zinc/47/83/97/603478397.db2.gz	XXCBBJNVVCIVQE-UHFFFAOYSA-N	-2	3	379.822	2.353	20	5		GEBDHL
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cc1F	ZINC000822259266	607154479	/nfs/dbraw/zinc/15/44/79/607154479.db2.gz	RKGNRTXPBDWAHQ-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826451386	608168612	/nfs/dbraw/zinc/16/86/12/608168612.db2.gz	DWGOOYZLYDKGBR-HNNXBMFYSA-N	-2	3	395.379	2.088	20	5		GEBDHL
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826470082	609166881	/nfs/dbraw/zinc/16/68/81/609166881.db2.gz	BFRSFYMRHHWAAX-UHFFFAOYSA-N	-2	3	392.375	2.410	20	5		GEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(N)=O)c1	ZINC000499174840	650875169	/nfs/dbraw/zinc/87/51/69/650875169.db2.gz	KCSDZYWZGFANEE-UHFFFAOYSA-N	-2	3	385.785	2.162	20	5		GEBDHL
CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1nc(C)cs1	ZINC000579587417	652345621	/nfs/dbraw/zinc/34/56/21/652345621.db2.gz	ILGZCOGXJVVVKC-NSHDSACASA-N	-2	3	385.423	2.488	20	5		GEBDHL
CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000518918409	532448772	/nfs/dbraw/zinc/44/87/72/532448772.db2.gz	WBMHBZIGBGEIHC-VIFPVBQESA-N	-2	3	395.231	2.279	20	5		GEBDHL
Cc1sc(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1[N+](=O)[O-]	ZINC000593945676	532505221	/nfs/dbraw/zinc/50/52/21/532505221.db2.gz	WGNGLYQJYYRCGM-FKTZTGRPSA-N	-2	3	376.456	2.378	20	5		GEBDHL
Cc1sc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)c2ccccc2)cc1[N+](=O)[O-]	ZINC000594679818	532519718	/nfs/dbraw/zinc/51/97/18/532519718.db2.gz	HOXHKTIOTSCCGI-YMTOWFKASA-N	-2	3	384.435	2.500	20	5		GEBDHL
O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000327245170	532791515	/nfs/dbraw/zinc/79/15/15/532791515.db2.gz	NMBDDSMLKKBLHT-UHFFFAOYSA-N	-2	3	384.797	2.467	20	5		GEBDHL
CSCC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000274890942	532859029	/nfs/dbraw/zinc/85/90/29/532859029.db2.gz	FZXIHCLVRRSACL-QMMMGPOBSA-N	-2	3	382.847	2.041	20	5		GEBDHL
C[C@@H](CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274971463	532860649	/nfs/dbraw/zinc/86/06/49/532860649.db2.gz	KJIZYEPLWJWMEK-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1	ZINC000822203189	607307174	/nfs/dbraw/zinc/30/71/74/607307174.db2.gz	ILPNSGQVSIWFNM-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1	ZINC000822203189	607307175	/nfs/dbraw/zinc/30/71/75/607307175.db2.gz	ILPNSGQVSIWFNM-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000738371599	598594355	/nfs/dbraw/zinc/59/43/55/598594355.db2.gz	TXFDLQPUQONPBL-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000738371599	598594356	/nfs/dbraw/zinc/59/43/56/598594356.db2.gz	TXFDLQPUQONPBL-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1	ZINC000738366904	598594521	/nfs/dbraw/zinc/59/45/21/598594521.db2.gz	KFAHNPIBMJWGNA-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1	ZINC000738366904	598594523	/nfs/dbraw/zinc/59/45/23/598594523.db2.gz	KFAHNPIBMJWGNA-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000525331838	600899270	/nfs/dbraw/zinc/89/92/70/600899270.db2.gz	ZZKBBPVNOXCZDP-UHFFFAOYSA-N	-3	3	380.378	2.463	20	5		GEBDHL
O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c1F	ZINC000833294264	601233255	/nfs/dbraw/zinc/23/32/55/601233255.db2.gz	PHSRRPSHWYNKMD-UHFFFAOYSA-N	-2	3	386.332	2.092	20	5		GEBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1	ZINC000833169092	601388917	/nfs/dbraw/zinc/38/89/17/601388917.db2.gz	CETDVWJCHWJLFI-CYBMUJFWSA-N	-2	3	388.760	2.492	20	5		GEBDHL
CC(C)N(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000738847286	602388776	/nfs/dbraw/zinc/38/87/76/602388776.db2.gz	AJDIDQOZWYUCEY-UHFFFAOYSA-N	-2	3	379.822	2.305	20	5		GEBDHL
O=C([O-])N1CCCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000740521203	602869637	/nfs/dbraw/zinc/86/96/37/602869637.db2.gz	YFBMORORKRNFFQ-SNVBAGLBSA-N	-2	3	377.806	2.059	20	5		GEBDHL
O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000826420691	608015367	/nfs/dbraw/zinc/01/53/67/608015367.db2.gz	XRZSYRIUAZZMFU-UHFFFAOYSA-N	-2	3	386.393	2.352	20	5		GEBDHL
O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000826420691	608015368	/nfs/dbraw/zinc/01/53/68/608015368.db2.gz	XRZSYRIUAZZMFU-UHFFFAOYSA-N	-2	3	386.393	2.352	20	5		GEBDHL
O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826499218	608852340	/nfs/dbraw/zinc/85/23/40/608852340.db2.gz	ZXJUACHTEALQKR-QGZVFWFLSA-N	-2	3	382.380	2.054	20	5		GEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C[S@@](C)=O	ZINC000546534384	651001324	/nfs/dbraw/zinc/00/13/24/651001324.db2.gz	NGNWKCBHCHDPJX-XMMPIXPASA-N	-2	3	384.435	2.288	20	5		GEBDHL
CC(C)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000424394433	648626701	/nfs/dbraw/zinc/62/67/01/648626701.db2.gz	TURIWUJIKPMKKM-UHFFFAOYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c1C	ZINC000551997025	651136838	/nfs/dbraw/zinc/13/68/38/651136838.db2.gz	HMPALXJLSULMOX-VIFPVBQESA-N	-2	3	384.332	2.143	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)cc1C	ZINC000560421578	651309437	/nfs/dbraw/zinc/30/94/37/651309437.db2.gz	GHMHKDDOQUGHSW-SECBINFHSA-N	-2	3	384.332	2.143	20	5		GEBDHL
C[C@@]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C(=O)[O-])C1CC1	ZINC000570512882	651771816	/nfs/dbraw/zinc/77/18/16/651771816.db2.gz	VOAXBKGQVHYSLA-LBPRGKRZSA-N	-2	3	382.316	2.145	20	5		GEBDHL
O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000853070478	654276575	/nfs/dbraw/zinc/27/65/75/654276575.db2.gz	WZJPUHWHEYKRAF-QMMMGPOBSA-N	-2	3	380.300	2.065	20	5		GEBDHL
C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000517736424	532425752	/nfs/dbraw/zinc/42/57/52/532425752.db2.gz	QDJQFKDUSZNBHD-PKRMOACSSA-N	-2	3	382.316	2.311	20	5		GEBDHL
Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000526060712	532538995	/nfs/dbraw/zinc/53/89/95/532538995.db2.gz	QWBUVOUYTBVJGL-GFCCVEGCSA-N	-2	3	385.423	2.081	20	5		GEBDHL
COc1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000604408067	532700819	/nfs/dbraw/zinc/70/08/19/532700819.db2.gz	HRNRASOYJULCJY-NSHDSACASA-N	-2	3	386.407	2.159	20	5		GEBDHL
C[C@@H](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000274938123	532860425	/nfs/dbraw/zinc/86/04/25/532860425.db2.gz	FRGKLUJVWCKCHC-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-]	ZINC000737262500	599236348	/nfs/dbraw/zinc/23/63/48/599236348.db2.gz	IAKXFLQXGCOPHU-UHFFFAOYSA-N	-2	3	396.335	2.162	20	5		GEBDHL
Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-]	ZINC000737262500	599236349	/nfs/dbraw/zinc/23/63/49/599236349.db2.gz	IAKXFLQXGCOPHU-UHFFFAOYSA-N	-2	3	396.335	2.162	20	5		GEBDHL
O=C([O-])NCCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1	ZINC000740672509	601997576	/nfs/dbraw/zinc/99/75/76/601997576.db2.gz	HMIZYKCTQOCZMJ-UHFFFAOYSA-N	-2	3	397.384	2.023	20	5		GEBDHL
Cc1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000822240254	607154452	/nfs/dbraw/zinc/15/44/52/607154452.db2.gz	ZKOPESRJSWYFKN-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1-c1nnn[n-]1	ZINC000823648599	607154935	/nfs/dbraw/zinc/15/49/35/607154935.db2.gz	XYUYHICHTXSXIG-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1F	ZINC000822212876	607155461	/nfs/dbraw/zinc/15/54/61/607155461.db2.gz	LHTWWIBRRTZTOO-UHFFFAOYSA-N	-2	3	396.335	2.162	20	5		GEBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1F	ZINC000822212876	607155462	/nfs/dbraw/zinc/15/54/62/607155462.db2.gz	LHTWWIBRRTZTOO-UHFFFAOYSA-N	-2	3	396.335	2.162	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1-c1nnn[n-]1	ZINC000826500018	608220512	/nfs/dbraw/zinc/22/05/12/608220512.db2.gz	IGCRSGXXVUXZAY-UHFFFAOYSA-N	-2	3	386.393	2.453	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1-c1nn[n-]n1	ZINC000826500018	608220514	/nfs/dbraw/zinc/22/05/14/608220514.db2.gz	IGCRSGXXVUXZAY-UHFFFAOYSA-N	-2	3	386.393	2.453	20	5		GEBDHL
Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1F	ZINC000826299776	608583146	/nfs/dbraw/zinc/58/31/46/608583146.db2.gz	UUCVSFZNPRXYMN-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1)c1nccs1	ZINC000518370057	650604074	/nfs/dbraw/zinc/60/40/74/650604074.db2.gz	LLMXIZREXDTAMG-NSHDSACASA-N	-2	3	385.423	2.488	20	5		GEBDHL
C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC(=O)[O-]	ZINC000274991913	646340211	/nfs/dbraw/zinc/34/02/11/646340211.db2.gz	KTXZFGWTJKLVQB-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000548547705	651079889	/nfs/dbraw/zinc/07/98/89/651079889.db2.gz	HSBULLURFJWMJU-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-]	ZINC000583503796	652487765	/nfs/dbraw/zinc/48/77/65/652487765.db2.gz	PRITYSFJQYZJSJ-VIFPVBQESA-N	-2	3	378.353	2.397	20	5		GEBDHL
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776571991	653359908	/nfs/dbraw/zinc/35/99/08/653359908.db2.gz	RQMVXDLUXOLZMZ-JTQLQIEISA-N	-2	3	395.231	2.135	20	5		GEBDHL
CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(=O)[O-]	ZINC000776627735	653366132	/nfs/dbraw/zinc/36/61/32/653366132.db2.gz	JUHAYNIFZLTRDL-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000853069004	654275767	/nfs/dbraw/zinc/27/57/67/654275767.db2.gz	JBJLSGUBRQGGPX-SECBINFHSA-N	-2	3	380.300	2.065	20	5		GEBDHL
C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	ZINC000593272714	532479485	/nfs/dbraw/zinc/47/94/85/532479485.db2.gz	AIXJWPJFUUNVMA-SSDOTTSWSA-N	-2	3	382.316	2.145	20	5		GEBDHL
CC[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000297129641	532569033	/nfs/dbraw/zinc/56/90/33/532569033.db2.gz	HHBMIFSZCFDOMM-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cc1C	ZINC000737282535	598594125	/nfs/dbraw/zinc/59/41/25/598594125.db2.gz	FQXIQIFKJVPOIU-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cc1C	ZINC000737282535	598594130	/nfs/dbraw/zinc/59/41/30/598594130.db2.gz	FQXIQIFKJVPOIU-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1	ZINC000548230677	601224572	/nfs/dbraw/zinc/22/45/72/601224572.db2.gz	IKZWSIFSNQMTRH-BMIGLBTASA-N	-2	3	382.369	2.474	20	5		GEBDHL
CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000828671995	601478810	/nfs/dbraw/zinc/47/88/10/601478810.db2.gz	JXTQXSHHXYORRC-GFCCVEGCSA-N	-2	3	395.231	2.279	20	5		GEBDHL
CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000828671996	601478816	/nfs/dbraw/zinc/47/88/16/601478816.db2.gz	JXTQXSHHXYORRC-LBPRGKRZSA-N	-2	3	395.231	2.279	20	5		GEBDHL
Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1-c1nnn[n-]1	ZINC000826303953	607532774	/nfs/dbraw/zinc/53/27/74/607532774.db2.gz	OBWFKHGEIASVDG-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1-c1nn[n-]n1	ZINC000826303953	607532775	/nfs/dbraw/zinc/53/27/75/607532775.db2.gz	OBWFKHGEIASVDG-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C([O-])N1CCCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000740520802	602866571	/nfs/dbraw/zinc/86/65/71/602866571.db2.gz	USDPBBVFSRQHQM-SECBINFHSA-N	-2	3	377.806	2.059	20	5		GEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1	ZINC000833747093	605152146	/nfs/dbraw/zinc/15/21/46/605152146.db2.gz	QGERKVIUKCRGKV-UHFFFAOYSA-N	-3	3	381.366	2.177	20	5		GEBDHL
Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F	ZINC000822221250	607155545	/nfs/dbraw/zinc/15/55/45/607155545.db2.gz	HJYACNNICXDDFL-UHFFFAOYSA-N	-2	3	392.372	2.332	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1	ZINC000826497349	608220572	/nfs/dbraw/zinc/22/05/72/608220572.db2.gz	DODBWJYCMPNMQQ-UHFFFAOYSA-N	-2	3	386.393	2.453	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1	ZINC000826497349	608220574	/nfs/dbraw/zinc/22/05/74/608220574.db2.gz	DODBWJYCMPNMQQ-UHFFFAOYSA-N	-2	3	386.393	2.453	20	5		GEBDHL
CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C	ZINC000825717396	608753230	/nfs/dbraw/zinc/75/32/30/608753230.db2.gz	JKYXOGQGNZFNRE-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C	ZINC000825717396	608753232	/nfs/dbraw/zinc/75/32/32/608753232.db2.gz	JKYXOGQGNZFNRE-UHFFFAOYSA-N	-2	3	388.409	2.447	20	5		GEBDHL
Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000524191637	650639178	/nfs/dbraw/zinc/63/91/78/650639178.db2.gz	FWTQDRQFESNLLH-DEOSSOPVSA-N	-2	3	384.435	2.288	20	5		GEBDHL
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1	ZINC000103059337	643152255	/nfs/dbraw/zinc/15/22/55/643152255.db2.gz	RNRYTTFONAVRFE-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
CC[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000568970592	651692909	/nfs/dbraw/zinc/69/29/09/651692909.db2.gz	KFMFKAABQBPRFQ-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000570025803	651741043	/nfs/dbraw/zinc/74/10/43/651741043.db2.gz	LWOLSTXJBRXNIJ-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1nc(C)cs1	ZINC000592138283	652588868	/nfs/dbraw/zinc/58/88/68/652588868.db2.gz	FNWFLINKFTXAQM-LLVKDONJSA-N	-2	3	385.423	2.488	20	5		GEBDHL
CC[C@](C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776628690	653366614	/nfs/dbraw/zinc/36/66/14/653366614.db2.gz	UVQQVBNUHREJMF-GFCCVEGCSA-N	-2	3	395.231	2.137	20	5		GEBDHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1	ZINC000840786930	653693924	/nfs/dbraw/zinc/69/39/24/653693924.db2.gz	ZLLUHMXRKPXGFP-SECBINFHSA-N	-2	3	382.316	2.145	20	5		GEBDHL
C[C@]1(CC[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C[C@]1(F)Cl	ZINC000844897763	653826868	/nfs/dbraw/zinc/82/68/68/653826868.db2.gz	DCZHDWVWHBMUOW-QWHCGFSZSA-N	-2	3	380.781	2.276	20	5		GEBDHL
Cc1cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000285144735	532651279	/nfs/dbraw/zinc/65/12/79/532651279.db2.gz	OKCTZVPSLZQQRT-SECBINFHSA-N	-2	3	384.332	2.225	20	5		GEBDHL
C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(=O)[O-]	ZINC000275012740	532861119	/nfs/dbraw/zinc/86/11/19/532861119.db2.gz	NPGCVQDWVNJCJR-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CSc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000737193039	599039345	/nfs/dbraw/zinc/03/93/45/599039345.db2.gz	VNTNRVMWZICWTL-UHFFFAOYSA-N	-2	3	392.422	2.298	20	5		GEBDHL
CSc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000737193039	599039348	/nfs/dbraw/zinc/03/93/48/599039348.db2.gz	VNTNRVMWZICWTL-UHFFFAOYSA-N	-2	3	392.422	2.298	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000737372757	598595296	/nfs/dbraw/zinc/59/52/96/598595296.db2.gz	JTKANFUTUAXPDF-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1	ZINC000738569411	600171717	/nfs/dbraw/zinc/17/17/17/600171717.db2.gz	FDFGCBGBSOAPHR-CYBMUJFWSA-N	-2	3	382.369	2.189	20	5		GEBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(CN(C)C)c1	ZINC000738632982	600361960	/nfs/dbraw/zinc/36/19/60/600361960.db2.gz	SPEGCALVEXVKRF-UHFFFAOYSA-N	-2	3	393.421	2.464	20	5		GEBDHL
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000760116851	601258184	/nfs/dbraw/zinc/25/81/84/601258184.db2.gz	WYGRHJYZNQIJND-UHFFFAOYSA-N	-2	3	395.231	2.279	20	5		GEBDHL
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739040438	601992025	/nfs/dbraw/zinc/99/20/25/601992025.db2.gz	RBQARIFDRJKTFU-NXEZZACHSA-N	-2	3	391.833	2.305	20	5		GEBDHL
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739040995	601994304	/nfs/dbraw/zinc/99/43/04/601994304.db2.gz	XQTWQYCNSLBLRI-VHSXEESVSA-N	-2	3	391.833	2.305	20	5		GEBDHL
CC(C)c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])n1	ZINC000833511146	605398895	/nfs/dbraw/zinc/39/88/95/605398895.db2.gz	CKZZEYWWIZNUOB-UHFFFAOYSA-N	-2	3	385.423	2.351	20	5		GEBDHL
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1F	ZINC000826272253	607962764	/nfs/dbraw/zinc/96/27/64/607962764.db2.gz	AKXYTASUOIGVAA-UHFFFAOYSA-N	-2	3	396.335	2.162	20	5		GEBDHL
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000826341031	608166874	/nfs/dbraw/zinc/16/68/74/608166874.db2.gz	UFJIVFUTZCLAOD-UHFFFAOYSA-N	-2	3	395.335	2.425	20	5		GEBDHL
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1	ZINC000826499118	608873113	/nfs/dbraw/zinc/87/31/13/608873113.db2.gz	WMONGKZUCFZSGD-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1	ZINC000826499118	608873115	/nfs/dbraw/zinc/87/31/15/608873115.db2.gz	WMONGKZUCFZSGD-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1	ZINC000826470324	609145413	/nfs/dbraw/zinc/14/54/13/609145413.db2.gz	MGCACIFSIZILGO-UHFFFAOYSA-N	-2	3	380.364	2.285	20	5		GEBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1	ZINC000826470385	609499962	/nfs/dbraw/zinc/49/99/62/609499962.db2.gz	OCCXQWXQHLBYNA-UHFFFAOYSA-N	-2	3	380.364	2.285	20	5		GEBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1	ZINC000826470385	609499964	/nfs/dbraw/zinc/49/99/64/609499964.db2.gz	OCCXQWXQHLBYNA-UHFFFAOYSA-N	-2	3	380.364	2.285	20	5		GEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1	ZINC000499283494	650878821	/nfs/dbraw/zinc/87/88/21/650878821.db2.gz	YMBGEXZJJUEGAS-DEOSSOPVSA-N	-2	3	384.435	2.288	20	5		GEBDHL
C[C@@H](CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000560896469	651471648	/nfs/dbraw/zinc/47/16/48/651471648.db2.gz	AZGSWWZPRXNJFF-QMMMGPOBSA-N	-2	3	384.332	2.393	20	5		GEBDHL
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000563079419	651508502	/nfs/dbraw/zinc/50/85/02/651508502.db2.gz	GCFWZQJHVRJLOV-JGVFFNPUSA-N	-2	3	382.316	2.145	20	5		GEBDHL
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000567588569	651628092	/nfs/dbraw/zinc/62/80/92/651628092.db2.gz	ZBASIGUJERMAHV-APPZFPTMSA-N	-2	3	382.316	2.145	20	5		GEBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F	ZINC000596033978	652749939	/nfs/dbraw/zinc/74/99/39/652749939.db2.gz	AVKFKTCGOQZFSZ-VIFPVBQESA-N	-2	3	384.332	2.225	20	5		GEBDHL
C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@]1(F)Cl	ZINC000844898108	653827187	/nfs/dbraw/zinc/82/71/87/653827187.db2.gz	GMNTXUYRGHVJPF-CHWSQXEVSA-N	-2	3	380.781	2.276	20	5		GEBDHL
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000521579965	532516255	/nfs/dbraw/zinc/51/62/55/532516255.db2.gz	CKGAEGBCIGBHQZ-SECBINFHSA-N	-2	3	384.332	2.391	20	5		GEBDHL
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000566607965	532619144	/nfs/dbraw/zinc/61/91/44/532619144.db2.gz	LREUBKRNTIXFCH-CPCISQLKSA-N	-2	3	384.332	2.391	20	5		GEBDHL
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(Br)c1[O-]	ZINC000486101027	532687988	/nfs/dbraw/zinc/68/79/88/532687988.db2.gz	IBTNDKNKEBCTTA-RQOWECAXSA-N	-2	3	384.142	2.443	20	5		GEBDHL
Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000327746631	532792405	/nfs/dbraw/zinc/79/24/05/532792405.db2.gz	OSCOKTXFWQQEKL-UHFFFAOYSA-N	-2	3	385.423	2.153	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000738359058	599039997	/nfs/dbraw/zinc/03/99/97/599039997.db2.gz	IXQHUYYMNYNLSX-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000738359058	599040000	/nfs/dbraw/zinc/04/00/00/599040000.db2.gz	IXQHUYYMNYNLSX-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1	ZINC000832140737	603143688	/nfs/dbraw/zinc/14/36/88/603143688.db2.gz	NVILRVGREZBGTL-CYBMUJFWSA-N	-2	3	383.357	2.021	20	5		GEBDHL
Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-]	ZINC000826271384	608757614	/nfs/dbraw/zinc/75/76/14/608757614.db2.gz	PBNJIRJUCYWBID-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-]	ZINC000826271384	608757617	/nfs/dbraw/zinc/75/76/17/608757617.db2.gz	PBNJIRJUCYWBID-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1	ZINC000485021101	650692351	/nfs/dbraw/zinc/69/23/51/650692351.db2.gz	ASCOWODQTWRMFN-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1	ZINC000047293292	642627416	/nfs/dbraw/zinc/62/74/16/642627416.db2.gz	MANCWMSJUMUPLN-UHFFFAOYSA-N	-2	3	399.435	2.285	20	5		GEBDHL
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])o1	ZINC000543672518	650918111	/nfs/dbraw/zinc/91/81/11/650918111.db2.gz	DVJCDKNBVAHSBM-UHFFFAOYSA-N	-2	3	389.773	2.049	20	5		GEBDHL
CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000261757355	645597230	/nfs/dbraw/zinc/59/72/30/645597230.db2.gz	XIDLEHDACAUHKS-SNVBAGLBSA-N	-2	3	395.231	2.135	20	5		GEBDHL
CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000568970591	651692850	/nfs/dbraw/zinc/69/28/50/651692850.db2.gz	KFMFKAABQBPRFQ-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1nccs1	ZINC000573840135	651983038	/nfs/dbraw/zinc/98/30/38/651983038.db2.gz	RTLKDMQQPVLMEU-CQSZACIVSA-N	-2	3	385.423	2.353	20	5		GEBDHL
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000575120714	652063666	/nfs/dbraw/zinc/06/36/66/652063666.db2.gz	GVPUGZVIHPJIEE-BDAKNGLRSA-N	-2	3	382.316	2.145	20	5		GEBDHL
CC(C)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000760117330	652595719	/nfs/dbraw/zinc/59/57/19/652595719.db2.gz	CVUDEIRGHICPDT-SNVBAGLBSA-N	-2	3	395.231	2.135	20	5		GEBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c([N+](=O)[O-])c1	ZINC000593311982	652616740	/nfs/dbraw/zinc/61/67/40/652616740.db2.gz	DEBOPZPHGYAORO-JTQLQIEISA-N	-2	3	378.353	2.397	20	5		GEBDHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1	ZINC000776577631	653361351	/nfs/dbraw/zinc/36/13/51/653361351.db2.gz	PAJMHGADIXLQND-JTQLQIEISA-N	-2	3	382.316	2.145	20	5		GEBDHL
CC[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000837292596	653422664	/nfs/dbraw/zinc/42/26/64/653422664.db2.gz	QNSGNUWBBJXBTR-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000853069005	654275577	/nfs/dbraw/zinc/27/55/77/654275577.db2.gz	JBJLSGUBRQGGPX-VIFPVBQESA-N	-2	3	380.300	2.065	20	5		GEBDHL
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O	ZINC000032595885	531654886	/nfs/dbraw/zinc/65/48/86/531654886.db2.gz	FVSCWGMDYLUQKK-UHFFFAOYSA-N	-2	3	385.423	2.076	20	5		GEBDHL
C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000517736423	532425788	/nfs/dbraw/zinc/42/57/88/532425788.db2.gz	QDJQFKDUSZNBHD-HPOULIHZSA-N	-2	3	382.316	2.311	20	5		GEBDHL
Cc1sc(S(=O)(=O)[N-]C[C@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-]	ZINC000593219982	532475673	/nfs/dbraw/zinc/47/56/73/532475673.db2.gz	BPNWKAPNPMALSS-HNNXBMFYSA-N	-2	3	384.435	2.286	20	5		GEBDHL
Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1[N+](=O)[O-]	ZINC000593945677	532504673	/nfs/dbraw/zinc/50/46/73/532504673.db2.gz	WGNGLYQJYYRCGM-UJNFCWOMSA-N	-2	3	376.456	2.378	20	5		GEBDHL
Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000526059420	532537689	/nfs/dbraw/zinc/53/76/89/532537689.db2.gz	LWPDSPMMGHUHAJ-JTQLQIEISA-N	-2	3	391.814	2.117	20	5		GEBDHL
CC[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000297282220	532578478	/nfs/dbraw/zinc/57/84/78/532578478.db2.gz	UCZKVFLUQMBHIJ-MRVPVSSYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000285067320	532644370	/nfs/dbraw/zinc/64/43/70/532644370.db2.gz	KJYVFVYEQHRCEY-VIFPVBQESA-N	-2	3	384.332	2.225	20	5		GEBDHL
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-]	ZINC000275376098	532874163	/nfs/dbraw/zinc/87/41/63/532874163.db2.gz	ZGVCBCSMKBRMIH-SSDOTTSWSA-N	-2	3	390.723	2.241	20	5		GEBDHL
O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)ccc2c1	ZINC000823644242	607099455	/nfs/dbraw/zinc/09/94/55/607099455.db2.gz	HHQUDPPDDSEGTN-UHFFFAOYSA-N	-2	3	397.376	2.124	20	5		GEBDHL
O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)ccc2c1	ZINC000823644242	607099456	/nfs/dbraw/zinc/09/94/56/607099456.db2.gz	HHQUDPPDDSEGTN-UHFFFAOYSA-N	-2	3	397.376	2.124	20	5		GEBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1-c1nnn[n-]1	ZINC000823648594	607154874	/nfs/dbraw/zinc/15/48/74/607154874.db2.gz	XRNGWNWMPRKHNN-UHFFFAOYSA-N	-2	3	385.365	2.057	20	5		GEBDHL
Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1F	ZINC000826299767	608583349	/nfs/dbraw/zinc/58/33/49/608583349.db2.gz	UKCSDJNLKJAJJF-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1F	ZINC000826299767	608583351	/nfs/dbraw/zinc/58/33/51/608583351.db2.gz	UKCSDJNLKJAJJF-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C([O-])[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000514643399	650575452	/nfs/dbraw/zinc/57/54/52/650575452.db2.gz	BGCDQMCAWBYCIJ-SNVBAGLBSA-N	-2	3	390.826	2.284	20	5		GEBDHL
C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000570025802	651741295	/nfs/dbraw/zinc/74/12/95/651741295.db2.gz	LWOLSTXJBRXNIJ-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1nc(C)cs1	ZINC000592138285	652589012	/nfs/dbraw/zinc/58/90/12/652589012.db2.gz	FNWFLINKFTXAQM-NSHDSACASA-N	-2	3	385.423	2.488	20	5		GEBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c([N+](=O)[O-])c1	ZINC000593311983	652616648	/nfs/dbraw/zinc/61/66/48/652616648.db2.gz	DEBOPZPHGYAORO-SNVBAGLBSA-N	-2	3	378.353	2.397	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c1	ZINC000809226719	653257512	/nfs/dbraw/zinc/25/75/12/653257512.db2.gz	IDXKJKJFBSRYKT-ZETCQYMHSA-N	-2	3	386.760	2.191	20	5		GEBDHL
CC[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000837292756	653422479	/nfs/dbraw/zinc/42/24/79/653422479.db2.gz	QNSGNUWBBJXBTR-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
C[C@]1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@]1(F)Cl	ZINC000844897814	653826897	/nfs/dbraw/zinc/82/68/97/653826897.db2.gz	FDFIBZKJAMEQIU-STQMWFEESA-N	-2	3	380.781	2.276	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c1	ZINC000262428361	532593868	/nfs/dbraw/zinc/59/38/68/532593868.db2.gz	OBMRWNFCFXOMNY-UHFFFAOYSA-N	-2	3	376.818	2.478	20	5		GEBDHL
CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000297272907	532576613	/nfs/dbraw/zinc/57/66/13/532576613.db2.gz	SSGSJDXQUUVABR-QMMMGPOBSA-N	-2	3	395.231	2.279	20	5		GEBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccsc1	ZINC000567367682	532652172	/nfs/dbraw/zinc/65/21/72/532652172.db2.gz	SOMUYDHPVRHWHY-LLVKDONJSA-N	-2	3	386.407	2.159	20	5		GEBDHL
O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000298872661	532680944	/nfs/dbraw/zinc/68/09/44/532680944.db2.gz	WOJJMRHDGRXDCU-UHFFFAOYSA-N	-2	3	395.231	2.281	20	5		GEBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1	ZINC000548225083	532789750	/nfs/dbraw/zinc/78/97/50/532789750.db2.gz	JPCXSASMYZHHLX-ZDUSSCGKSA-N	-2	3	388.760	2.492	20	5		GEBDHL
CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(=O)[O-]	ZINC000275057596	532863004	/nfs/dbraw/zinc/86/30/04/532863004.db2.gz	UCTGINKBTQDEQD-UHFFFAOYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
O=C([O-])CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1	ZINC000833206102	601445002	/nfs/dbraw/zinc/44/50/02/601445002.db2.gz	OALZBLUHMRPVLZ-UHFFFAOYSA-N	-2	3	393.215	2.033	20	5		GEBDHL
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1	ZINC000826498615	609460251	/nfs/dbraw/zinc/46/02/51/609460251.db2.gz	CQUZDWPCOCOADU-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1	ZINC000826498615	609460254	/nfs/dbraw/zinc/46/02/54/609460254.db2.gz	CQUZDWPCOCOADU-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c1[N+](=O)[O-]	ZINC000514733815	650578189	/nfs/dbraw/zinc/57/81/89/650578189.db2.gz	POGFGBSULNVBQF-SECBINFHSA-N	-2	3	378.353	2.397	20	5		GEBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl	ZINC000530368267	650723491	/nfs/dbraw/zinc/72/34/91/650723491.db2.gz	FCOAIXUGKGAFKV-LLVKDONJSA-N	-2	3	376.799	2.414	20	5		GEBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c1	ZINC000414349745	648098406	/nfs/dbraw/zinc/09/84/06/648098406.db2.gz	SXBFUBOXIAHVMT-SECBINFHSA-N	-2	3	378.353	2.397	20	5		GEBDHL
CC(C)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000424396881	648627223	/nfs/dbraw/zinc/62/72/23/648627223.db2.gz	YKMLVYINPBKMNL-UHFFFAOYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000571264717	651821599	/nfs/dbraw/zinc/82/15/99/651821599.db2.gz	UKBOJHRWDBMDAU-VIFPVBQESA-N	-2	3	382.316	2.145	20	5		GEBDHL
CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1nc(C)cs1	ZINC000574986486	652056351	/nfs/dbraw/zinc/05/63/51/652056351.db2.gz	MTIPVBJDCCKZAH-LLVKDONJSA-N	-2	3	385.423	2.488	20	5		GEBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F	ZINC000596033971	652749903	/nfs/dbraw/zinc/74/99/03/652749903.db2.gz	AVKFKTCGOQZFSZ-SECBINFHSA-N	-2	3	384.332	2.225	20	5		GEBDHL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)n1	ZINC000769640584	653168003	/nfs/dbraw/zinc/16/80/03/653168003.db2.gz	WLPJSGGKBJRKLS-UHFFFAOYSA-N	-2	3	387.757	2.151	20	5		GEBDHL
CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000261649860	532576294	/nfs/dbraw/zinc/57/62/94/532576294.db2.gz	HMCORWFHKCUJNH-SNVBAGLBSA-N	-2	3	384.332	2.391	20	5		GEBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ncc(C(=O)[O-])s2)cc1C	ZINC000566241278	532602614	/nfs/dbraw/zinc/60/26/14/532602614.db2.gz	WZDMCVGHNXNYSP-SECBINFHSA-N	-2	3	385.423	2.406	20	5		GEBDHL
C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000274977106	532861003	/nfs/dbraw/zinc/86/10/03/532861003.db2.gz	LCBAHPAYLMRDTB-QMMMGPOBSA-N	-2	3	395.231	2.279	20	5		GEBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275352849	532873454	/nfs/dbraw/zinc/87/34/54/532873454.db2.gz	WLOOFFAQJYYREA-ZETCQYMHSA-N	-2	3	390.723	2.241	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000738361725	599040843	/nfs/dbraw/zinc/04/08/43/599040843.db2.gz	ZFURJGXAYFLBJG-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000738361725	599040845	/nfs/dbraw/zinc/04/08/45/599040845.db2.gz	ZFURJGXAYFLBJG-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=C([O-])c1cc([N+](=O)[O-])c(NCCNC(=O)c2ccc([O-])cc2)cc1Cl	ZINC000833140154	602252031	/nfs/dbraw/zinc/25/20/31/602252031.db2.gz	KGRHOIHLYAYMCF-UHFFFAOYSA-N	-2	3	379.756	2.494	20	5		GEBDHL
C[C@@H](NC(=O)[O-])c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000825402409	604334993	/nfs/dbraw/zinc/33/49/93/604334993.db2.gz	LHVDIUGQGXKSQP-LLVKDONJSA-N	-2	3	379.394	2.402	20	5		GEBDHL
CSc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000821983886	607154201	/nfs/dbraw/zinc/15/42/01/607154201.db2.gz	KELWPJDLSJHEHU-UHFFFAOYSA-N	-2	3	392.422	2.298	20	5		GEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C[S@](C)=O	ZINC000546534383	651001297	/nfs/dbraw/zinc/00/12/97/651001297.db2.gz	NGNWKCBHCHDPJX-DEOSSOPVSA-N	-2	3	384.435	2.288	20	5		GEBDHL
Cc1c(Cl)cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000274995873	646341165	/nfs/dbraw/zinc/34/11/65/646341165.db2.gz	ACUGOMWBZFFQPV-MRVPVSSYSA-N	-2	3	390.723	2.241	20	5		GEBDHL
C[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000571981124	651865107	/nfs/dbraw/zinc/86/51/07/651865107.db2.gz	IDIMUWSBTCRSIN-MRVPVSSYSA-N	-2	3	384.332	2.393	20	5		GEBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1	ZINC000809551517	653280763	/nfs/dbraw/zinc/28/07/63/653280763.db2.gz	WPKXZYHKWRSEAR-ZDUSSCGKSA-N	-2	3	386.769	2.058	20	5		GEBDHL
C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(Cl)Cl	ZINC000840891917	653698146	/nfs/dbraw/zinc/69/81/46/653698146.db2.gz	KQKLYAVHOCIVQM-LLVKDONJSA-N	-2	3	383.209	2.155	20	5		GEBDHL
C[C@@]1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@]1(F)Cl	ZINC000844897811	653826861	/nfs/dbraw/zinc/82/68/61/653826861.db2.gz	FDFIBZKJAMEQIU-CHWSQXEVSA-N	-2	3	380.781	2.276	20	5		GEBDHL
C[C@@](CCF)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000594720982	532522581	/nfs/dbraw/zinc/52/25/81/532522581.db2.gz	RXGKAPILILJWSZ-NSHDSACASA-N	-2	3	388.295	2.095	20	5		GEBDHL
CC[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000297282222	532578677	/nfs/dbraw/zinc/57/86/77/532578677.db2.gz	UCZKVFLUQMBHIJ-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
Cc1nc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000566184864	532598837	/nfs/dbraw/zinc/59/88/37/532598837.db2.gz	RILFJVALRBNUJY-SECBINFHSA-N	-2	3	385.423	2.406	20	5		GEBDHL
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(Br)cc1[O-]	ZINC000436729602	532644161	/nfs/dbraw/zinc/64/41/61/532644161.db2.gz	HLVXECTXVZYQDY-IHWYPQMZSA-N	-2	3	384.142	2.443	20	5		GEBDHL
Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1	ZINC000737344924	599039476	/nfs/dbraw/zinc/03/94/76/599039476.db2.gz	MBMOXTJGWOQMSE-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1	ZINC000737344924	599039479	/nfs/dbraw/zinc/03/94/79/599039479.db2.gz	MBMOXTJGWOQMSE-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F	ZINC000738361096	599041514	/nfs/dbraw/zinc/04/15/14/599041514.db2.gz	UNMMTTIFDOWQKD-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F	ZINC000738361096	599041516	/nfs/dbraw/zinc/04/15/16/599041516.db2.gz	UNMMTTIFDOWQKD-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
CN(Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000737485883	600299944	/nfs/dbraw/zinc/29/99/44/600299944.db2.gz	JZJKGLMYBLAYND-UHFFFAOYSA-N	-3	3	381.366	2.211	20	5		GEBDHL
CSc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cc1	ZINC000821984403	607154422	/nfs/dbraw/zinc/15/44/22/607154422.db2.gz	PTMVTAZLWGFINR-UHFFFAOYSA-N	-2	3	392.422	2.298	20	5		GEBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000826470355	609502485	/nfs/dbraw/zinc/50/24/85/609502485.db2.gz	NAIPEPOLIDSQIU-UHFFFAOYSA-N	-2	3	392.375	2.410	20	5		GEBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826470355	609502487	/nfs/dbraw/zinc/50/24/87/609502487.db2.gz	NAIPEPOLIDSQIU-UHFFFAOYSA-N	-2	3	392.375	2.410	20	5		GEBDHL
Cc1ncc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1	ZINC000543168002	650902052	/nfs/dbraw/zinc/90/20/52/650902052.db2.gz	XFGNSLIJHRMJQM-UHFFFAOYSA-N	-2	3	393.208	2.184	20	5		GEBDHL
CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000548265802	651074716	/nfs/dbraw/zinc/07/47/16/651074716.db2.gz	KCROCRKNGHLCTE-GFCCVEGCSA-N	-2	3	392.430	2.165	20	5		GEBDHL
O=C([O-])CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1	ZINC000568389572	651665347	/nfs/dbraw/zinc/66/53/47/651665347.db2.gz	PDLAEUXDKHTOCA-UHFFFAOYSA-N	-2	3	382.316	2.289	20	5		GEBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-]	ZINC000583503795	652487688	/nfs/dbraw/zinc/48/76/88/652487688.db2.gz	PRITYSFJQYZJSJ-SECBINFHSA-N	-2	3	378.353	2.397	20	5		GEBDHL
C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(Cl)Cl	ZINC000840891920	653698120	/nfs/dbraw/zinc/69/81/20/653698120.db2.gz	KQKLYAVHOCIVQM-NSHDSACASA-N	-2	3	383.209	2.155	20	5		GEBDHL
C[C@]1(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@]1(F)Cl	ZINC000844898116	653827212	/nfs/dbraw/zinc/82/72/12/653827212.db2.gz	GMNTXUYRGHVJPF-STQMWFEESA-N	-2	3	380.781	2.276	20	5		GEBDHL
CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000518918408	532449722	/nfs/dbraw/zinc/44/97/22/532449722.db2.gz	WBMHBZIGBGEIHC-SECBINFHSA-N	-2	3	395.231	2.279	20	5		GEBDHL
CC[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1nccs1	ZINC000564919830	532536815	/nfs/dbraw/zinc/53/68/15/532536815.db2.gz	HBPKBITXCLSNLN-AWEZNQCLSA-N	-2	3	385.423	2.353	20	5		GEBDHL
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000392393043	532708415	/nfs/dbraw/zinc/70/84/15/532708415.db2.gz	PPMSJGYVNJXSSJ-MGCOHNPYSA-N	-2	3	376.818	2.418	20	5		GEBDHL
Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1	ZINC000579719565	532742606	/nfs/dbraw/zinc/74/26/06/532742606.db2.gz	VQCLYJGSGGMPKC-SECBINFHSA-N	-2	3	385.423	2.406	20	5		GEBDHL
CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1nccs1	ZINC000583082168	532764148	/nfs/dbraw/zinc/76/41/48/532764148.db2.gz	IGGDSOYGPNRTQJ-AWEZNQCLSA-N	-2	3	385.423	2.353	20	5		GEBDHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl	ZINC000327981370	532792918	/nfs/dbraw/zinc/79/29/18/532792918.db2.gz	AOQGTLYAIOCFCL-CYBMUJFWSA-N	-2	3	388.760	2.492	20	5		GEBDHL
CSCC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000274890940	532859146	/nfs/dbraw/zinc/85/91/46/532859146.db2.gz	FZXIHCLVRRSACL-MRVPVSSYSA-N	-2	3	382.847	2.041	20	5		GEBDHL
CC[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000275008108	532861332	/nfs/dbraw/zinc/86/13/32/532861332.db2.gz	PLHXQDMWVXVZMK-GFCCVEGCSA-N	-2	3	395.231	2.137	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F	ZINC000738360611	599041498	/nfs/dbraw/zinc/04/14/98/599041498.db2.gz	RFVJBWXUIDTDQM-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F	ZINC000738360611	599041501	/nfs/dbraw/zinc/04/15/01/599041501.db2.gz	RFVJBWXUIDTDQM-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000738359642	599041276	/nfs/dbraw/zinc/04/12/76/599041276.db2.gz	KWWRCFLGSVWJMH-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000738359642	599041279	/nfs/dbraw/zinc/04/12/79/599041279.db2.gz	KWWRCFLGSVWJMH-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1	ZINC000564840079	600096947	/nfs/dbraw/zinc/09/69/47/600096947.db2.gz	PJPIDIAWJDIPLR-CYBMUJFWSA-N	-2	3	396.396	2.264	20	5		GEBDHL
Cc1oc(S(=O)(=O)[N-]CCCNc2ccc(C)cc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000581882068	601222457	/nfs/dbraw/zinc/22/24/57/601222457.db2.gz	CAJZPXSBCUZFOS-UHFFFAOYSA-N	-2	3	397.409	2.283	20	5		GEBDHL
C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1	ZINC000548230680	601224700	/nfs/dbraw/zinc/22/47/00/601224700.db2.gz	IKZWSIFSNQMTRH-ZUZCIYMTSA-N	-2	3	382.369	2.474	20	5		GEBDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1	ZINC000739040997	601994563	/nfs/dbraw/zinc/99/45/63/601994563.db2.gz	XQTWQYCNSLBLRI-ZJUUUORDSA-N	-2	3	391.833	2.305	20	5		GEBDHL
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1	ZINC000826498811	608872823	/nfs/dbraw/zinc/87/28/23/608872823.db2.gz	KMPMWBHSXQUUMF-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1	ZINC000826498811	608872826	/nfs/dbraw/zinc/87/28/26/608872826.db2.gz	KMPMWBHSXQUUMF-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000103059379	643152341	/nfs/dbraw/zinc/15/23/41/643152341.db2.gz	MZMZOPRGUFUWAF-UHFFFAOYSA-N	-2	3	380.773	2.229	20	5		GEBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c1C	ZINC000551997024	651136938	/nfs/dbraw/zinc/13/69/38/651136938.db2.gz	HMPALXJLSULMOX-SECBINFHSA-N	-2	3	384.332	2.143	20	5		GEBDHL
O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000571294429	651824329	/nfs/dbraw/zinc/82/43/29/651824329.db2.gz	CXZFGUDWKVRPKX-LURJTMIESA-N	-2	3	392.258	2.000	20	5		GEBDHL
CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1nc(C)cs1	ZINC000574986487	652056510	/nfs/dbraw/zinc/05/65/10/652056510.db2.gz	MTIPVBJDCCKZAH-NSHDSACASA-N	-2	3	385.423	2.488	20	5		GEBDHL
C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776632115	653366855	/nfs/dbraw/zinc/36/68/55/653366855.db2.gz	FJFHEMHPWRZSCU-QMMMGPOBSA-N	-2	3	395.231	2.137	20	5		GEBDHL
C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1(Cl)Cl	ZINC000844890293	653824560	/nfs/dbraw/zinc/82/45/60/653824560.db2.gz	VUEDMVQFYIVLBN-NSHDSACASA-N	-2	3	383.209	2.155	20	5		GEBDHL
O=C([N-]c1n[n-]c(SCCO)n1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000295092380	532402374	/nfs/dbraw/zinc/40/23/74/532402374.db2.gz	XYCXOAIDIMXGNG-UHFFFAOYSA-N	-2	3	377.304	2.068	20	5		GEBDHL
O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1	ZINC000591243755	532403702	/nfs/dbraw/zinc/40/37/02/532403702.db2.gz	HDIPRLCGZSARJX-UHFFFAOYSA-N	-2	3	382.316	2.147	20	5		GEBDHL
Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])n1	ZINC000519149743	532457095	/nfs/dbraw/zinc/45/70/95/532457095.db2.gz	HTKSSQZANHYIID-UHFFFAOYSA-N	-2	3	385.423	2.272	20	5		GEBDHL
C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000593272747	532479272	/nfs/dbraw/zinc/47/92/72/532479272.db2.gz	BGFJEFUTRCJPOL-SSDOTTSWSA-N	-2	3	382.316	2.145	20	5		GEBDHL
CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cs1	ZINC000566177873	532599256	/nfs/dbraw/zinc/59/92/56/532599256.db2.gz	XTLIQIAHYNCGCB-QMMMGPOBSA-N	-2	3	385.423	2.351	20	5		GEBDHL
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(Br)cc3)n[n-]2)n1	ZINC000512292233	532777347	/nfs/dbraw/zinc/77/73/47/532777347.db2.gz	AESNRHVOKCHPSJ-UHFFFAOYSA-N	-2	3	392.173	2.128	20	5		GEBDHL
CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1nccs1	ZINC000583082169	532764561	/nfs/dbraw/zinc/76/45/61/532764561.db2.gz	IGGDSOYGPNRTQJ-CQSZACIVSA-N	-2	3	385.423	2.353	20	5		GEBDHL
CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC(=O)[O-]	ZINC000274921934	532859577	/nfs/dbraw/zinc/85/95/77/532859577.db2.gz	AZXPWKGDIJRWCQ-UHFFFAOYSA-N	-2	3	395.231	2.137	20	5		GEBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275352845	532873796	/nfs/dbraw/zinc/87/37/96/532873796.db2.gz	WLOOFFAQJYYREA-SSDOTTSWSA-N	-2	3	390.723	2.241	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21	ZINC000738361284	599042430	/nfs/dbraw/zinc/04/24/30/599042430.db2.gz	XGQMHRAUNUURDJ-UHFFFAOYSA-N	-2	3	385.365	2.057	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21	ZINC000738361284	599042434	/nfs/dbraw/zinc/04/24/34/599042434.db2.gz	XGQMHRAUNUURDJ-UHFFFAOYSA-N	-2	3	385.365	2.057	20	5		GEBDHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl	ZINC000738358895	599043133	/nfs/dbraw/zinc/04/31/33/599043133.db2.gz	DSBLQWYOSAAXDC-UHFFFAOYSA-N	-2	3	398.763	2.368	20	5		GEBDHL
O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000739873553	599927955	/nfs/dbraw/zinc/92/79/55/599927955.db2.gz	FROQQQQRGGFTTG-UHFFFAOYSA-N	-3	3	398.418	2.419	20	5		GEBDHL
O=C([O-])Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n[nH]1	ZINC000739909448	600579510	/nfs/dbraw/zinc/57/95/10/600579510.db2.gz	JOHRSDHAEDNOQM-UHFFFAOYSA-N	-2	3	383.320	2.385	20	5		GEBDHL
CCC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000829203635	600704324	/nfs/dbraw/zinc/70/43/24/600704324.db2.gz	XURWQWMONSRMOV-LBPRGKRZSA-N	-2	3	395.231	2.279	20	5		GEBDHL
CCC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000829203632	600704378	/nfs/dbraw/zinc/70/43/78/600704378.db2.gz	XURWQWMONSRMOV-GFCCVEGCSA-N	-2	3	395.231	2.279	20	5		GEBDHL
O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c1F	ZINC000833294033	601239686	/nfs/dbraw/zinc/23/96/86/601239686.db2.gz	LVZKLTMEMZNKLM-UHFFFAOYSA-N	-2	3	386.332	2.092	20	5		GEBDHL
Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-]	ZINC000826291866	608101381	/nfs/dbraw/zinc/10/13/81/608101381.db2.gz	ZFYAHDDXPHBYHP-UHFFFAOYSA-N	-2	3	396.335	2.162	20	5		GEBDHL
Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-]	ZINC000826291866	608101382	/nfs/dbraw/zinc/10/13/82/608101382.db2.gz	ZFYAHDDXPHBYHP-UHFFFAOYSA-N	-2	3	396.335	2.162	20	5		GEBDHL
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826272632	608757380	/nfs/dbraw/zinc/75/73/80/608757380.db2.gz	UAGZPYDDVUCHIV-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826272632	608757381	/nfs/dbraw/zinc/75/73/81/608757381.db2.gz	UAGZPYDDVUCHIV-UHFFFAOYSA-N	-2	3	378.345	2.023	20	5		GEBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1	ZINC000548260502	651073723	/nfs/dbraw/zinc/07/37/23/651073723.db2.gz	FPGLZRXKKHRHJZ-ZDUSSCGKSA-N	-2	3	388.760	2.492	20	5		GEBDHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1	ZINC000560896661	651472169	/nfs/dbraw/zinc/47/21/69/651472169.db2.gz	SUOCSLKXEAGZNQ-NSHDSACASA-N	-2	3	382.316	2.145	20	5		GEBDHL
CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000572128459	651874775	/nfs/dbraw/zinc/87/47/75/651874775.db2.gz	XGNCTNYDAVKQGY-LBPRGKRZSA-N	-2	3	384.332	2.393	20	5		GEBDHL