smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1	ZINC000823644752	946460053	/nfs/dbraw/zinc/46/00/53/946460053.db2.gz	LUBAIZUQXMOIFS-UHFFFAOYSA-N	-2	3	398.342	0.940	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1C	ZINC000826272623	947791971	/nfs/dbraw/zinc/79/19/71/947791971.db2.gz	SUYIGLXLXOAPLQ-UHFFFAOYSA-N	-2	3	391.369	0.839	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1C	ZINC000826272623	947791981	/nfs/dbraw/zinc/79/19/81/947791981.db2.gz	SUYIGLXLXOAPLQ-UHFFFAOYSA-N	-2	3	391.369	0.839	20	5		GCBDHL
CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](O)C(=O)[O-]	ZINC001590880006	990796755	/nfs/dbraw/zinc/79/67/55/990796755.db2.gz	ZTFBYALXIXYLBA-SECBINFHSA-N	-2	3	397.203	0.860	20	5		GCBDHL
C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000565720370	530352645	/nfs/dbraw/zinc/35/26/45/530352645.db2.gz	PMSUOWKOXPRFGY-QMMMGPOBSA-N	-2	3	392.411	0.537	20	5		GCBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)c1	ZINC000568007404	530478877	/nfs/dbraw/zinc/47/88/77/530478877.db2.gz	KJMOBIYASCGNFZ-UHFFFAOYSA-N	-2	3	385.276	0.250	20	5		GCBDHL
CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000593313000	530799936	/nfs/dbraw/zinc/79/99/36/530799936.db2.gz	RUIWVPXTDAVRJW-UHFFFAOYSA-N	-2	3	380.400	0.395	20	5		GCBDHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000275053634	530800637	/nfs/dbraw/zinc/80/06/37/530800637.db2.gz	IRFSYWGHMRENRE-VIFPVBQESA-N	-2	3	383.176	0.471	20	5		GCBDHL
NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000068785032	530794867	/nfs/dbraw/zinc/79/48/67/530794867.db2.gz	KQDCBJXBAFPOCQ-UHFFFAOYSA-N	-2	3	387.395	0.890	20	5		GCBDHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000274964160	530818736	/nfs/dbraw/zinc/81/87/36/530818736.db2.gz	VIGNHPOBGLFNTJ-MRVPVSSYSA-N	-2	3	383.176	0.471	20	5		GCBDHL
CSCC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000274911012	530905610	/nfs/dbraw/zinc/90/56/10/530905610.db2.gz	KPHFREZRCYBNKT-MRVPVSSYSA-N	-2	3	392.411	0.851	20	5		GCBDHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC000275189624	530907283	/nfs/dbraw/zinc/90/72/83/530907283.db2.gz	FJWRDOSBPJJGHY-SECBINFHSA-N	-2	3	376.343	0.288	20	5		GCBDHL
C[C@](CCF)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000594719499	530877951	/nfs/dbraw/zinc/87/79/51/530877951.db2.gz	KKSGCEDXBYPUHT-CYBMUJFWSA-N	-2	3	378.334	0.847	20	5		GCBDHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000548531081	530878956	/nfs/dbraw/zinc/87/89/56/530878956.db2.gz	PKNQWNBUISNORP-SSDOTTSWSA-N	-3	3	397.159	0.564	20	5		GCBDHL
CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000548540195	530880735	/nfs/dbraw/zinc/88/07/35/530880735.db2.gz	DDICDNIXCXUSIY-MRVPVSSYSA-N	-2	3	383.176	0.735	20	5		GCBDHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000275106948	530886404	/nfs/dbraw/zinc/88/64/04/530886404.db2.gz	RLQHREHDHSGRST-ANLVUFKYSA-N	-2	3	383.176	0.470	20	5		GCBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000278366228	530915861	/nfs/dbraw/zinc/91/58/61/530915861.db2.gz	ZCGMPPBGILGVAC-UHFFFAOYSA-N	-2	3	379.778	0.426	20	5		GCBDHL
O=c1nc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[n-]o1	ZINC000416475341	531034267	/nfs/dbraw/zinc/03/42/67/531034267.db2.gz	JKYVEFAAQUJRRI-UHFFFAOYSA-N	-2	3	382.276	0.811	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000823284073	606182945	/nfs/dbraw/zinc/18/29/45/606182945.db2.gz	BNJZNQZFFFZXJT-UHFFFAOYSA-N	-2	3	375.326	0.289	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000823284073	606182947	/nfs/dbraw/zinc/18/29/47/606182947.db2.gz	BNJZNQZFFFZXJT-UHFFFAOYSA-N	-2	3	375.326	0.289	20	5		GCBDHL
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1	ZINC000822212893	606709633	/nfs/dbraw/zinc/70/96/33/606709633.db2.gz	LTTUDTHOOJPFCL-UHFFFAOYSA-N	-2	3	378.374	0.926	20	5		GCBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826272408	607777166	/nfs/dbraw/zinc/77/71/66/607777166.db2.gz	HWXHCWVITAQETA-UHFFFAOYSA-N	-2	3	377.342	0.530	20	5		GCBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826272408	607777167	/nfs/dbraw/zinc/77/71/67/607777167.db2.gz	HWXHCWVITAQETA-UHFFFAOYSA-N	-2	3	377.342	0.530	20	5		GCBDHL
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1)OCCO2	ZINC000826498153	608306234	/nfs/dbraw/zinc/30/62/34/608306234.db2.gz	JBNLQFNTWURMCF-UHFFFAOYSA-N	-2	3	394.329	0.070	20	5		GCBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ncccc2-c2nnn[n-]2)CC1	ZINC000826470542	609500194	/nfs/dbraw/zinc/50/01/94/609500194.db2.gz	UDIQMHZVFUXACQ-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ncccc2-c2nn[n-]n2)CC1	ZINC000826470542	609500196	/nfs/dbraw/zinc/50/01/96/609500196.db2.gz	UDIQMHZVFUXACQ-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])n1	ZINC000548548243	1186310363	/nfs/dbraw/zinc/31/03/63/1186310363.db2.gz	JZLIDWVXZAUFKO-GFCCVEGCSA-N	-2	3	386.361	0.979	20	5		GCBDHL
COCCn1cc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])cn1	ZINC000519162871	1195375003	/nfs/dbraw/zinc/37/50/03/1195375003.db2.gz	JHXYGCLDLLVMQS-UHFFFAOYSA-N	-2	3	384.370	0.614	20	5		GCBDHL
COc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1CC(=O)[O-]	ZINC000774619584	1205891645	/nfs/dbraw/zinc/89/16/45/1205891645.db2.gz	GLVCRRUFCPVGMC-UHFFFAOYSA-N	-2	3	382.354	0.931	20	5		GCBDHL
CS(=O)(=O)CCCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566316930	530374218	/nfs/dbraw/zinc/37/42/18/530374218.db2.gz	TUCIVQSRDIXREF-UHFFFAOYSA-N	-2	3	394.427	0.786	20	5		GCBDHL
CS(=O)(=O)CCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566317007	530374356	/nfs/dbraw/zinc/37/43/56/530374356.db2.gz	BZJDJYHWNLEIOC-UHFFFAOYSA-N	-2	3	380.400	0.396	20	5		GCBDHL
CC(C)(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000414401456	530600368	/nfs/dbraw/zinc/60/03/68/530600368.db2.gz	ZEJKONPCJIYONF-UHFFFAOYSA-N	-2	3	394.427	0.785	20	5		GCBDHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274905347	530905642	/nfs/dbraw/zinc/90/56/42/530905642.db2.gz	JDXGMZWTGKCTGF-SSDLBLMSSA-N	-2	3	383.176	0.470	20	5		GCBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-]	ZINC000274964521	530906120	/nfs/dbraw/zinc/90/61/20/530906120.db2.gz	VMHPASPJYKONIU-JTQLQIEISA-N	-2	3	392.411	0.866	20	5		GCBDHL
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000737297948	598974563	/nfs/dbraw/zinc/97/45/63/598974563.db2.gz	GXWWXDRJQJLKJP-UHFFFAOYSA-N	-2	3	391.369	0.541	20	5		GCBDHL
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000737297948	598974564	/nfs/dbraw/zinc/97/45/64/598974564.db2.gz	GXWWXDRJQJLKJP-UHFFFAOYSA-N	-2	3	391.369	0.541	20	5		GCBDHL
NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1	ZINC000737759462	599040375	/nfs/dbraw/zinc/04/03/75/599040375.db2.gz	CHWOCIYAZLTHJZ-UHFFFAOYSA-N	-2	3	389.353	0.675	20	5		GCBDHL
NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1	ZINC000737759462	599040378	/nfs/dbraw/zinc/04/03/78/599040378.db2.gz	CHWOCIYAZLTHJZ-UHFFFAOYSA-N	-2	3	389.353	0.675	20	5		GCBDHL
O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000737964657	598752523	/nfs/dbraw/zinc/75/25/23/598752523.db2.gz	YCJUNQLXFVBLSK-UHFFFAOYSA-N	-2	3	394.394	0.884	20	5		GCBDHL
O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000737964657	598752525	/nfs/dbraw/zinc/75/25/25/598752525.db2.gz	YCJUNQLXFVBLSK-UHFFFAOYSA-N	-2	3	394.394	0.884	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-c2nnn[n-]2)cc1	ZINC000738139731	598752644	/nfs/dbraw/zinc/75/26/44/598752644.db2.gz	OIWYQCIDWDTMGV-UHFFFAOYSA-N	-2	3	380.367	0.955	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-c2nn[n-]n2)cc1	ZINC000738139731	598752645	/nfs/dbraw/zinc/75/26/45/598752645.db2.gz	OIWYQCIDWDTMGV-UHFFFAOYSA-N	-2	3	380.367	0.955	20	5		GCBDHL
COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c[n-]1	ZINC000821668713	599340074	/nfs/dbraw/zinc/34/00/74/599340074.db2.gz	FPPWMLZSVNJAAZ-UHFFFAOYSA-N	-2	3	394.325	0.657	20	5		GCBDHL
COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c[n-]1	ZINC000821668713	599340077	/nfs/dbraw/zinc/34/00/77/599340077.db2.gz	FPPWMLZSVNJAAZ-UHFFFAOYSA-N	-2	3	394.325	0.657	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000822623546	606709784	/nfs/dbraw/zinc/70/97/84/606709784.db2.gz	ZLDURMUJCSTMJO-UHFFFAOYSA-N	-2	3	384.765	0.963	20	5		GCBDHL
O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826449685	607779793	/nfs/dbraw/zinc/77/97/93/607779793.db2.gz	FLRWMMMMINFYAI-UHFFFAOYSA-N	-2	3	391.369	0.405	20	5		GCBDHL
O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826449685	607779794	/nfs/dbraw/zinc/77/97/94/607779794.db2.gz	FLRWMMMMINFYAI-UHFFFAOYSA-N	-2	3	391.369	0.405	20	5		GCBDHL
C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000824998985	608834560	/nfs/dbraw/zinc/83/45/60/608834560.db2.gz	BMWBOHVOKJGDKO-LLVKDONJSA-N	-2	3	397.399	0.981	20	5		GCBDHL
C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000824998985	608834563	/nfs/dbraw/zinc/83/45/63/608834563.db2.gz	BMWBOHVOKJGDKO-LLVKDONJSA-N	-2	3	397.399	0.981	20	5		GCBDHL
O=c1nc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[n-]o1	ZINC000810075357	641719843	/nfs/dbraw/zinc/71/98/43/641719843.db2.gz	KLTVWUGRIPMYBO-UHFFFAOYSA-N	-2	3	393.175	0.555	20	5		GCBDHL
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1[N-]c1ccn(CCN2CCOCC2)n1	ZINC000823629845	946457454	/nfs/dbraw/zinc/45/74/54/946457454.db2.gz	JKOADBYCQCKIIP-UHFFFAOYSA-N	-2	3	386.376	0.442	20	5		GCBDHL
CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](O)C(=O)[O-]	ZINC001590880007	990796875	/nfs/dbraw/zinc/79/68/75/990796875.db2.gz	ZTFBYALXIXYLBA-VIFPVBQESA-N	-2	3	397.203	0.860	20	5		GCBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000580081121	530333201	/nfs/dbraw/zinc/33/32/01/530333201.db2.gz	DENWOOXVUJQANS-VIFPVBQESA-N	-2	3	392.411	0.396	20	5		GCBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000574814290	530563624	/nfs/dbraw/zinc/56/36/24/530563624.db2.gz	BYGUGQDGNCLVJM-VIFPVBQESA-N	-2	3	378.384	0.149	20	5		GCBDHL
NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000326643916	530742994	/nfs/dbraw/zinc/74/29/94/530742994.db2.gz	XDYVWCJNIMKCON-UHFFFAOYSA-N	-2	3	387.395	0.890	20	5		GCBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000593311050	530800273	/nfs/dbraw/zinc/80/02/73/530800273.db2.gz	VVMUEMCCPFWQHZ-UHFFFAOYSA-N	-2	3	378.384	0.006	20	5		GCBDHL
CSCC[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000274911014	530905491	/nfs/dbraw/zinc/90/54/91/530905491.db2.gz	KPHFREZRCYBNKT-QMMMGPOBSA-N	-2	3	392.411	0.851	20	5		GCBDHL
O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000275058711	530906627	/nfs/dbraw/zinc/90/66/27/530906627.db2.gz	YOEVQPJAGJAPCW-QMMMGPOBSA-N	-2	3	391.789	0.460	20	5		GCBDHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-]	ZINC000275244303	530907884	/nfs/dbraw/zinc/90/78/84/530907884.db2.gz	KNYCULLYYXALJL-QMMMGPOBSA-N	-2	3	380.762	0.851	20	5		GCBDHL
Cc1sc(S(=O)(=O)[N-][C@H](CN2CCOCC2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548535979	530880618	/nfs/dbraw/zinc/88/06/18/530880618.db2.gz	BGNNASSCRLYSPG-SECBINFHSA-N	-2	3	379.416	0.028	20	5		GCBDHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1	ZINC000619708987	530882315	/nfs/dbraw/zinc/88/23/15/530882315.db2.gz	LWARIGYRBTZZGE-LLVKDONJSA-N	-2	3	395.187	0.879	20	5		GCBDHL
CO[C@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)[O-]	ZINC000530382649	530894716	/nfs/dbraw/zinc/89/47/16/530894716.db2.gz	ZGMKIVWVCYUJBH-QMMMGPOBSA-N	-2	3	376.343	0.134	20	5		GCBDHL
COc1c(F)cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000277213641	530913125	/nfs/dbraw/zinc/91/31/25/530913125.db2.gz	GYYZPGJJVZTNKY-QMMMGPOBSA-N	-3	3	380.306	0.339	20	5		GCBDHL
COCCn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1	ZINC000737015310	599042065	/nfs/dbraw/zinc/04/20/65/599042065.db2.gz	BMICNXPVFHOUQW-UHFFFAOYSA-N	-2	3	394.373	0.419	20	5		GCBDHL
COCCn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1	ZINC000737015310	599042068	/nfs/dbraw/zinc/04/20/68/599042068.db2.gz	BMICNXPVFHOUQW-UHFFFAOYSA-N	-2	3	394.373	0.419	20	5		GCBDHL
COc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000826203514	607555211	/nfs/dbraw/zinc/55/52/11/607555211.db2.gz	RWQZBGAZXRRMBD-UHFFFAOYSA-N	-2	3	391.369	0.657	20	5		GCBDHL
O=C([O-])N1CC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	ZINC000831851889	604412941	/nfs/dbraw/zinc/41/29/41/604412941.db2.gz	DPXBZEMMOSQEEQ-UHFFFAOYSA-N	-2	3	380.176	0.998	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1sccc1-c1nnn[n-]1	ZINC000823284767	606182797	/nfs/dbraw/zinc/18/27/97/606182797.db2.gz	JHKKQKWTTAWYEC-UHFFFAOYSA-N	-2	3	381.355	0.350	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1sccc1-c1nn[n-]n1	ZINC000823284767	606182798	/nfs/dbraw/zinc/18/27/98/606182798.db2.gz	JHKKQKWTTAWYEC-UHFFFAOYSA-N	-2	3	381.355	0.350	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccc(-c2nnn[n-]2)c1	ZINC000823285410	606182819	/nfs/dbraw/zinc/18/28/19/606182819.db2.gz	SQDFEOXHQPHGEA-UHFFFAOYSA-N	-2	3	375.326	0.289	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccc(-c2nn[n-]n2)c1	ZINC000823285410	606182820	/nfs/dbraw/zinc/18/28/20/606182820.db2.gz	SQDFEOXHQPHGEA-UHFFFAOYSA-N	-2	3	375.326	0.289	20	5		GCBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1	ZINC000821728380	606710615	/nfs/dbraw/zinc/71/06/15/606710615.db2.gz	VMFYBBTXNLKGKM-UHFFFAOYSA-N	-2	3	380.346	0.318	20	5		GCBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1	ZINC000826272019	608267879	/nfs/dbraw/zinc/26/78/79/608267879.db2.gz	REMKZTAECXSCNH-UHFFFAOYSA-N	-3	3	380.346	0.323	20	5		GCBDHL
COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1[N+](=O)[O-]	ZINC000826210115	609455439	/nfs/dbraw/zinc/45/54/39/609455439.db2.gz	FEWRIIDTXBACAL-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1[N+](=O)[O-]	ZINC000826210115	609455442	/nfs/dbraw/zinc/45/54/42/609455442.db2.gz	FEWRIIDTXBACAL-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000263513513	639169447	/nfs/dbraw/zinc/16/94/47/639169447.db2.gz	YSNXARPHHPNQEQ-JTQLQIEISA-N	-2	3	383.176	0.471	20	5		GCBDHL
Cn1cc(C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cn1	ZINC000547894936	1197542606	/nfs/dbraw/zinc/54/26/06/1197542606.db2.gz	CMZLYAJPTCNYDQ-JTQLQIEISA-N	-2	3	386.361	0.689	20	5		GCBDHL
Cc1nn2c([n-]nc2SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)nc1=O	ZINC000734234681	1201646224	/nfs/dbraw/zinc/64/62/24/1201646224.db2.gz	BHNASQWJLMGEDI-UHFFFAOYSA-N	-2	3	389.353	0.078	20	5		GCBDHL
COc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1	ZINC000826211458	947618445	/nfs/dbraw/zinc/61/84/45/947618445.db2.gz	FLQOTXDGXIVYRM-UHFFFAOYSA-N	-2	3	393.341	0.230	20	5		GCBDHL
COc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1	ZINC000826211458	947618451	/nfs/dbraw/zinc/61/84/51/947618451.db2.gz	FLQOTXDGXIVYRM-UHFFFAOYSA-N	-2	3	393.341	0.230	20	5		GCBDHL
Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001594469502	959541316	/nfs/dbraw/zinc/54/13/16/959541316.db2.gz	HLHPDSNQMGKZOS-KOLCDFICSA-N	-2	3	393.322	0.696	20	5		GCBDHL
Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001594469501	959541584	/nfs/dbraw/zinc/54/15/84/959541584.db2.gz	HLHPDSNQMGKZOS-GXSJLCMTSA-N	-2	3	393.322	0.696	20	5		GCBDHL
CCOC(=O)COCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000578241127	530133683	/nfs/dbraw/zinc/13/36/83/530133683.db2.gz	VAVDNYSYTBSVFW-UHFFFAOYSA-N	-2	3	376.343	0.151	20	5		GCBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1	ZINC000580203001	530323540	/nfs/dbraw/zinc/32/35/40/530323540.db2.gz	YAESXYVRRQCGEX-UHFFFAOYSA-N	-2	3	392.411	0.396	20	5		GCBDHL
COc1c(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000574573073	530515804	/nfs/dbraw/zinc/51/58/04/530515804.db2.gz	XKXOOSHXUALYMV-CPCISQLKSA-N	-2	3	378.334	0.511	20	5		GCBDHL
CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000572770452	530521355	/nfs/dbraw/zinc/52/13/55/530521355.db2.gz	UNKAHBGMIBMGCV-MRVPVSSYSA-N	-2	3	380.400	0.395	20	5		GCBDHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000269487711	530753690	/nfs/dbraw/zinc/75/36/90/530753690.db2.gz	REEXBMJOSVQSNQ-UHFFFAOYSA-N	-2	3	385.276	0.093	20	5		GCBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)c([N+](=O)[O-])c1	ZINC000593313083	530800194	/nfs/dbraw/zinc/80/01/94/530800194.db2.gz	XWLVFHISSWQKPM-UHFFFAOYSA-N	-2	3	385.276	0.250	20	5		GCBDHL
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277305775	530912928	/nfs/dbraw/zinc/91/29/28/530912928.db2.gz	SHMAFWUJGAWNLS-SNVBAGLBSA-N	-2	3	378.334	0.843	20	5		GCBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])c1	ZINC000278262824	530916366	/nfs/dbraw/zinc/91/63/66/530916366.db2.gz	NZBQJFXYIXUYHY-UHFFFAOYSA-N	-2	3	379.778	0.426	20	5		GCBDHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000326069228	530946090	/nfs/dbraw/zinc/94/60/90/530946090.db2.gz	HDDXHEPZRWAJIX-MRVPVSSYSA-N	-2	3	380.762	0.933	20	5		GCBDHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000274946721	530950956	/nfs/dbraw/zinc/95/09/56/530950956.db2.gz	RVDWOMKULVGKIQ-ANLVUFKYSA-N	-2	3	383.176	0.470	20	5		GCBDHL
Cn1cc(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000547894840	531000862	/nfs/dbraw/zinc/00/08/62/531000862.db2.gz	MKYGQLLJBKAZFM-SNVBAGLBSA-N	-2	3	388.789	0.956	20	5		GCBDHL
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000737512696	599040587	/nfs/dbraw/zinc/04/05/87/599040587.db2.gz	ZXSGWFZONKAWRT-UHFFFAOYSA-N	-2	3	378.374	0.926	20	5		GCBDHL
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000737512696	599040588	/nfs/dbraw/zinc/04/05/88/599040588.db2.gz	ZXSGWFZONKAWRT-UHFFFAOYSA-N	-2	3	378.374	0.926	20	5		GCBDHL
CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])n1	ZINC000821566484	607441076	/nfs/dbraw/zinc/44/10/76/607441076.db2.gz	GQNLIKSZADAWBJ-UHFFFAOYSA-N	-2	3	382.337	0.931	20	5		GCBDHL
CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])n1	ZINC000821566484	607441077	/nfs/dbraw/zinc/44/10/77/607441077.db2.gz	GQNLIKSZADAWBJ-UHFFFAOYSA-N	-2	3	382.337	0.931	20	5		GCBDHL
O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCS(=O)(=O)CC1	ZINC000833175860	601808578	/nfs/dbraw/zinc/80/85/78/601808578.db2.gz	SJPNPOGIUFJYTL-UHFFFAOYSA-N	-2	3	396.374	0.044	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1	ZINC000823285048	606460516	/nfs/dbraw/zinc/46/05/16/606460516.db2.gz	MIQXAXWGVGLDDI-UHFFFAOYSA-N	-2	3	380.367	0.955	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1	ZINC000823285048	606460517	/nfs/dbraw/zinc/46/05/17/606460517.db2.gz	MIQXAXWGVGLDDI-UHFFFAOYSA-N	-2	3	380.367	0.955	20	5		GCBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1	ZINC000821846736	606709246	/nfs/dbraw/zinc/70/92/46/606709246.db2.gz	ZBPCHFMHIWLROT-UHFFFAOYSA-N	-2	3	380.346	0.318	20	5		GCBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1F	ZINC000822213193	607155434	/nfs/dbraw/zinc/15/54/34/607155434.db2.gz	YMCDJXWCOCWLBV-UHFFFAOYSA-N	-2	3	382.337	0.757	20	5		GCBDHL
CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000825763488	608295742	/nfs/dbraw/zinc/29/57/42/608295742.db2.gz	WWBBMYFPTFZSCH-UHFFFAOYSA-N	-2	3	378.374	0.872	20	5		GCBDHL
CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000825763488	608295743	/nfs/dbraw/zinc/29/57/43/608295743.db2.gz	WWBBMYFPTFZSCH-UHFFFAOYSA-N	-2	3	378.374	0.872	20	5		GCBDHL
C[C@](O)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000841783090	639233790	/nfs/dbraw/zinc/23/37/90/639233790.db2.gz	MKBGZZRSIKFRIX-JTQLQIEISA-N	-2	3	383.176	0.471	20	5		GCBDHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776484679	641097519	/nfs/dbraw/zinc/09/75/19/641097519.db2.gz	HDPRKWJFXQDWCA-QMMMGPOBSA-N	-2	3	383.176	0.471	20	5		GCBDHL
CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837555090	642276012	/nfs/dbraw/zinc/27/60/12/642276012.db2.gz	AGWYLQQIRVBYKC-UHFFFAOYSA-N	-2	3	376.387	0.688	20	5		GCBDHL
CCOc1cc(C(=O)[N-]c2n[n-]c(S(C)(=O)=O)n2)c([N+](=O)[O-])cc1OC	ZINC000500583100	1192657363	/nfs/dbraw/zinc/65/73/63/1192657363.db2.gz	YNARAQHSPADKAN-UHFFFAOYSA-N	-2	3	385.358	0.776	20	5		GCBDHL
CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1=O	ZINC000581944262	1186001371	/nfs/dbraw/zinc/00/13/71/1186001371.db2.gz	ZDUJAMXLAXNUCC-SNVBAGLBSA-N	-2	3	385.398	0.971	20	5		GCBDHL
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1=O	ZINC000414347422	1187844215	/nfs/dbraw/zinc/84/42/15/1187844215.db2.gz	QYBQTNCPUMHHBL-VIFPVBQESA-N	-2	3	385.354	0.107	20	5		GCBDHL
Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(=O)[n-]1	ZINC000770773980	1202110986	/nfs/dbraw/zinc/11/09/86/1202110986.db2.gz	YZCZJDVSQIQOLZ-UHFFFAOYSA-N	-2	3	384.345	0.894	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826450279	948316788	/nfs/dbraw/zinc/31/67/88/948316788.db2.gz	DWVUGNAGFIYJJV-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826450279	948316795	/nfs/dbraw/zinc/31/67/95/948316795.db2.gz	DWVUGNAGFIYJJV-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
O=C([O-])CN1CCCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1=O	ZINC001595097062	951826652	/nfs/dbraw/zinc/82/66/52/951826652.db2.gz	UBGBBVDLMAKNPJ-NSHDSACASA-N	-2	3	389.361	0.478	20	5		GCBDHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000560896538	530184058	/nfs/dbraw/zinc/18/40/58/530184058.db2.gz	GKLCTXOBIBUFLG-ZCFIWIBFSA-N	-3	3	386.260	0.820	20	5		GCBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000278625144	530234738	/nfs/dbraw/zinc/23/47/38/530234738.db2.gz	HQRZWHIJMCCEPX-SECBINFHSA-N	-3	3	376.343	0.590	20	5		GCBDHL
CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000562310982	530267425	/nfs/dbraw/zinc/26/74/25/530267425.db2.gz	NYXNJNZDUYJQCK-WDEREUQCSA-N	-2	3	380.350	0.635	20	5		GCBDHL
CS(=O)(=O)CCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000516575183	530312640	/nfs/dbraw/zinc/31/26/40/530312640.db2.gz	YJQXHTDESNSNEU-UHFFFAOYSA-N	-2	3	380.400	0.396	20	5		GCBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000291039136	530484210	/nfs/dbraw/zinc/48/42/10/530484210.db2.gz	YCNFZPXDSCNZGY-SNVBAGLBSA-N	-2	3	376.343	0.149	20	5		GCBDHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000563520882	530526801	/nfs/dbraw/zinc/52/68/01/530526801.db2.gz	CBCCZFXZBZFEQA-QMMMGPOBSA-N	-2	3	382.297	0.768	20	5		GCBDHL
O=c1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[n-]o1	ZINC000574763389	530562392	/nfs/dbraw/zinc/56/23/92/530562392.db2.gz	FJGVMIVFZRATSJ-UHFFFAOYSA-N	-2	3	393.175	0.555	20	5		GCBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000593307220	530800214	/nfs/dbraw/zinc/80/02/14/530800214.db2.gz	MHUJFDKQFARVSN-QMMMGPOBSA-N	-2	3	378.384	0.149	20	5		GCBDHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274916745	530905325	/nfs/dbraw/zinc/90/53/25/530905325.db2.gz	LVQHSFORQIZPCE-CDUCUWFYSA-N	-2	3	383.176	0.470	20	5		GCBDHL
O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000275268906	530907796	/nfs/dbraw/zinc/90/77/96/530907796.db2.gz	MZCRLMPEOVNVCJ-LURJTMIESA-N	-2	3	382.297	0.753	20	5		GCBDHL
C[C@@](CCF)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000594719512	530877963	/nfs/dbraw/zinc/87/79/63/530877963.db2.gz	KKSGCEDXBYPUHT-ZDUSSCGKSA-N	-2	3	378.334	0.847	20	5		GCBDHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCOC1	ZINC000370313009	530886871	/nfs/dbraw/zinc/88/68/71/530886871.db2.gz	FWCLKCIDOWDAFQ-LLVKDONJSA-N	-2	3	395.187	0.879	20	5		GCBDHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCOC1	ZINC000374444974	530895602	/nfs/dbraw/zinc/89/56/02/530895602.db2.gz	WVIYIYGNIAPZRX-LLVKDONJSA-N	-2	3	395.187	0.879	20	5		GCBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c1	ZINC000277268602	530913087	/nfs/dbraw/zinc/91/30/87/530913087.db2.gz	JECZLXOWNJKREF-UHFFFAOYSA-N	-2	3	389.777	0.825	20	5		GCBDHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000274946730	530985657	/nfs/dbraw/zinc/98/56/57/530985657.db2.gz	RVDWOMKULVGKIQ-SSDLBLMSSA-N	-2	3	383.176	0.470	20	5		GCBDHL
C[C@](O)(C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263515682	531002959	/nfs/dbraw/zinc/00/29/59/531002959.db2.gz	ZRINOWSSFFFCHT-JTQLQIEISA-N	-2	3	383.176	0.471	20	5		GCBDHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000297259165	531099228	/nfs/dbraw/zinc/09/92/28/531099228.db2.gz	RLQHREHDHSGRST-SSDLBLMSSA-N	-2	3	383.176	0.470	20	5		GCBDHL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1	ZINC000831371388	602309386	/nfs/dbraw/zinc/30/93/86/602309386.db2.gz	WSPIRNXOLDHEAD-UHFFFAOYSA-N	-2	3	396.337	0.780	20	5		GCBDHL
COC(=O)Cc1c(C(=O)[O-])sc2[n-]c(Cn3nccc3[N+](=O)[O-])nc(=O)c12	ZINC000831189023	604386013	/nfs/dbraw/zinc/38/60/13/604386013.db2.gz	OSJBMWSVFYJPHB-UHFFFAOYSA-N	-2	3	393.337	0.551	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1	ZINC000822622920	607156021	/nfs/dbraw/zinc/15/60/21/607156021.db2.gz	KHGDCOISHRDNHH-UHFFFAOYSA-N	-3	3	394.329	0.007	20	5		GCBDHL
CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c([N+](=O)[O-])n1	ZINC000825805143	607933382	/nfs/dbraw/zinc/93/33/82/607933382.db2.gz	UUKNJAIZAVMWEV-UHFFFAOYSA-N	-2	3	380.346	0.498	20	5		GCBDHL
C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000824998986	608834070	/nfs/dbraw/zinc/83/40/70/608834070.db2.gz	BMWBOHVOKJGDKO-NSHDSACASA-N	-2	3	397.399	0.981	20	5		GCBDHL
C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000824998986	608834072	/nfs/dbraw/zinc/83/40/72/608834072.db2.gz	BMWBOHVOKJGDKO-NSHDSACASA-N	-2	3	397.399	0.981	20	5		GCBDHL
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1	ZINC000826267960	609313520	/nfs/dbraw/zinc/31/35/20/609313520.db2.gz	DPNZUXRFGMYZTL-UHFFFAOYSA-N	-2	3	382.337	0.757	20	5		GCBDHL
Cn1cc(S(=O)(=O)[N-][C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])nc1Cl	ZINC000776493014	641097262	/nfs/dbraw/zinc/09/72/62/641097262.db2.gz	DEMLETIDALIISW-JTQLQIEISA-N	-2	3	388.789	0.956	20	5		GCBDHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000846003620	642466393	/nfs/dbraw/zinc/46/63/93/642466393.db2.gz	GYSFOXIEQIGARF-UHFFFAOYSA-N	-2	3	382.192	0.703	20	5		GCBDHL
Cn1cc(C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cn1	ZINC000547894937	1184736998	/nfs/dbraw/zinc/73/69/98/1184736998.db2.gz	CMZLYAJPTCNYDQ-SNVBAGLBSA-N	-2	3	386.361	0.689	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826450237	948316283	/nfs/dbraw/zinc/31/62/83/948316283.db2.gz	CFWBBLZMRAIREU-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826450237	948316290	/nfs/dbraw/zinc/31/62/90/948316290.db2.gz	CFWBBLZMRAIREU-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826450022	948317066	/nfs/dbraw/zinc/31/70/66/948317066.db2.gz	TZRWMHIYSGDSSV-UHFFFAOYSA-N	-2	3	377.342	0.363	20	5		GCBDHL
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826450022	948317072	/nfs/dbraw/zinc/31/70/72/948317072.db2.gz	TZRWMHIYSGDSSV-UHFFFAOYSA-N	-2	3	377.342	0.363	20	5		GCBDHL
CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000562310981	530267545	/nfs/dbraw/zinc/26/75/45/530267545.db2.gz	NYXNJNZDUYJQCK-QWRGUYRKSA-N	-2	3	380.350	0.635	20	5		GCBDHL
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000562310979	530267645	/nfs/dbraw/zinc/26/76/45/530267645.db2.gz	NYXNJNZDUYJQCK-GHMZBOCLSA-N	-2	3	380.350	0.635	20	5		GCBDHL
COc1c(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000574573075	530515763	/nfs/dbraw/zinc/51/57/63/530515763.db2.gz	XKXOOSHXUALYMV-RDDDGLTNSA-N	-2	3	378.334	0.511	20	5		GCBDHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274916741	530699874	/nfs/dbraw/zinc/69/98/74/530699874.db2.gz	LVQHSFORQIZPCE-ANLVUFKYSA-N	-2	3	383.176	0.470	20	5		GCBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000593305111	530799299	/nfs/dbraw/zinc/79/92/99/530799299.db2.gz	CDLMVOTYMYZTNI-MRVPVSSYSA-N	-2	3	378.384	0.006	20	5		GCBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000593305112	530799474	/nfs/dbraw/zinc/79/94/74/530799474.db2.gz	CDLMVOTYMYZTNI-QMMMGPOBSA-N	-2	3	378.384	0.006	20	5		GCBDHL
CC(C)(CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])S(C)(=O)=O	ZINC000521630320	530849792	/nfs/dbraw/zinc/84/97/92/530849792.db2.gz	FYWUKWDRFFMLPK-UHFFFAOYSA-N	-2	3	394.427	0.785	20	5		GCBDHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274916748	530905599	/nfs/dbraw/zinc/90/55/99/530905599.db2.gz	LVQHSFORQIZPCE-SSDLBLMSSA-N	-2	3	383.176	0.470	20	5		GCBDHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000274956361	530906567	/nfs/dbraw/zinc/90/65/67/530906567.db2.gz	UGOQNMIOFSQORB-QMMMGPOBSA-N	-2	3	383.176	0.471	20	5		GCBDHL
CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000548540196	530880712	/nfs/dbraw/zinc/88/07/12/530880712.db2.gz	DDICDNIXCXUSIY-QMMMGPOBSA-N	-2	3	383.176	0.735	20	5		GCBDHL
O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000548556526	530881836	/nfs/dbraw/zinc/88/18/36/530881836.db2.gz	NLTTUGRWJUJYCP-QMMMGPOBSA-N	-2	3	391.789	0.460	20	5		GCBDHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1	ZINC000619709024	530882605	/nfs/dbraw/zinc/88/26/05/530882605.db2.gz	QCPHQJNLJKXHIL-LLVKDONJSA-N	-2	3	395.187	0.879	20	5		GCBDHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1	ZINC000374448518	530895372	/nfs/dbraw/zinc/89/53/72/530895372.db2.gz	ZGQXMGXINFHNKW-NSHDSACASA-N	-2	3	395.187	0.879	20	5		GCBDHL
CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277303830	530913318	/nfs/dbraw/zinc/91/33/18/530913318.db2.gz	SHMAFWUJGAWNLS-JTQLQIEISA-N	-2	3	378.334	0.843	20	5		GCBDHL
O=C([O-])COCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000547933602	531020815	/nfs/dbraw/zinc/02/08/15/531020815.db2.gz	YKZZCUPRHHESFO-UHFFFAOYSA-N	-2	3	383.176	0.737	20	5		GCBDHL
COCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1	ZINC000737015779	599042235	/nfs/dbraw/zinc/04/22/35/599042235.db2.gz	DZIHMNISYRDBRZ-UHFFFAOYSA-N	-2	3	394.373	0.419	20	5		GCBDHL
COCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1	ZINC000737015779	599042238	/nfs/dbraw/zinc/04/22/38/599042238.db2.gz	DZIHMNISYRDBRZ-UHFFFAOYSA-N	-2	3	394.373	0.419	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000822622360	606710170	/nfs/dbraw/zinc/71/01/70/606710170.db2.gz	BWGZGHGZXBXULM-UHFFFAOYSA-N	-2	3	384.765	0.963	20	5		GCBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000823493386	607193796	/nfs/dbraw/zinc/19/37/96/607193796.db2.gz	MXXWSTVHFCBNTF-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000823493386	607193797	/nfs/dbraw/zinc/19/37/97/607193797.db2.gz	MXXWSTVHFCBNTF-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000263513514	639169405	/nfs/dbraw/zinc/16/94/05/639169405.db2.gz	YSNXARPHHPNQEQ-SNVBAGLBSA-N	-2	3	383.176	0.471	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826450677	948318060	/nfs/dbraw/zinc/31/80/60/948318060.db2.gz	YGFCHBZAGKFBBF-UHFFFAOYSA-N	-2	3	397.760	0.875	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826450677	948318068	/nfs/dbraw/zinc/31/80/68/948318068.db2.gz	YGFCHBZAGKFBBF-UHFFFAOYSA-N	-2	3	397.760	0.875	20	5		GCBDHL
O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000537769043	530198167	/nfs/dbraw/zinc/19/81/67/530198167.db2.gz	RCZJNECWAPLYTO-UHFFFAOYSA-N	-2	3	385.130	0.964	20	5		GCBDHL
O=c1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[n-]o1	ZINC000290235417	530348044	/nfs/dbraw/zinc/34/80/44/530348044.db2.gz	YJDLTMYYRRDLLR-UHFFFAOYSA-N	-2	3	382.276	0.811	20	5		GCBDHL
COc1c(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000574573076	530515790	/nfs/dbraw/zinc/51/57/90/530515790.db2.gz	XKXOOSHXUALYMV-WRWORJQWSA-N	-2	3	378.334	0.511	20	5		GCBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])c1	ZINC000275100968	530854494	/nfs/dbraw/zinc/85/44/94/530854494.db2.gz	QOVZBDKYYZWYES-ZETCQYMHSA-N	-2	3	379.778	0.554	20	5		GCBDHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000274910103	530905415	/nfs/dbraw/zinc/90/54/15/530905415.db2.gz	KLYHWBJJFUUMHO-ZETCQYMHSA-N	-3	3	386.260	0.820	20	5		GCBDHL
O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000275268913	530908069	/nfs/dbraw/zinc/90/80/69/530908069.db2.gz	MZCRLMPEOVNVCJ-ZCFIWIBFSA-N	-2	3	382.297	0.753	20	5		GCBDHL
COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275352897	530908630	/nfs/dbraw/zinc/90/86/30/530908630.db2.gz	WMAJWOAIDZMKBA-VIFPVBQESA-N	-2	3	376.343	0.288	20	5		GCBDHL
O=C([O-])[C@@H]1CC(=O)N(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000548556489	530881843	/nfs/dbraw/zinc/88/18/43/530881843.db2.gz	NLTTUGRWJUJYCP-MRVPVSSYSA-N	-2	3	391.789	0.460	20	5		GCBDHL
COCc1nc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)n[n-]1	ZINC000594828733	530886808	/nfs/dbraw/zinc/88/68/08/530886808.db2.gz	VYTFYMDTGDMIQE-UHFFFAOYSA-N	-2	3	375.338	0.486	20	5		GCBDHL
CO[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)[O-]	ZINC000530382647	530894892	/nfs/dbraw/zinc/89/48/92/530894892.db2.gz	ZGMKIVWVCYUJBH-MRVPVSSYSA-N	-2	3	376.343	0.134	20	5		GCBDHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCOC1	ZINC000374444975	530895529	/nfs/dbraw/zinc/89/55/29/530895529.db2.gz	WVIYIYGNIAPZRX-NSHDSACASA-N	-2	3	395.187	0.879	20	5		GCBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000278803524	530916693	/nfs/dbraw/zinc/91/66/93/530916693.db2.gz	WISYDEPFYKCTDQ-SECBINFHSA-N	-3	3	376.343	0.590	20	5		GCBDHL
COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000275031095	530996148	/nfs/dbraw/zinc/99/61/48/530996148.db2.gz	FQQXDNGQSQRGRI-JTQLQIEISA-N	-2	3	376.343	0.149	20	5		GCBDHL
COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1	ZINC000737105474	599039539	/nfs/dbraw/zinc/03/95/39/599039539.db2.gz	HNZMQONQAFRYJE-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1	ZINC000737105474	599039542	/nfs/dbraw/zinc/03/95/42/599039542.db2.gz	HNZMQONQAFRYJE-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1	ZINC000821487547	606708456	/nfs/dbraw/zinc/70/84/56/606708456.db2.gz	WHAUJALWQVOQFQ-UHFFFAOYSA-N	-2	3	378.374	0.872	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000822622904	606709775	/nfs/dbraw/zinc/70/97/75/606709775.db2.gz	JVTDRSPKIILTAQ-UHFFFAOYSA-N	-3	3	394.329	0.007	20	5		GCBDHL
COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000821845971	606710575	/nfs/dbraw/zinc/71/05/75/606710575.db2.gz	MTIPPZPHWPXUII-UHFFFAOYSA-N	-2	3	380.346	0.318	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc([N+](=O)[O-])c1C	ZINC000826272604	607776694	/nfs/dbraw/zinc/77/66/94/607776694.db2.gz	SCDBGMUNTXTUSP-UHFFFAOYSA-N	-2	3	391.369	0.839	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc([N+](=O)[O-])c1C	ZINC000826272604	607776695	/nfs/dbraw/zinc/77/66/95/607776695.db2.gz	SCDBGMUNTXTUSP-UHFFFAOYSA-N	-2	3	391.369	0.839	20	5		GCBDHL
Cn1cc(S(=O)(=O)[N-][C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])nc1Cl	ZINC000776535397	641099658	/nfs/dbraw/zinc/09/96/58/641099658.db2.gz	DEMLETIDALIISW-SNVBAGLBSA-N	-2	3	388.789	0.956	20	5		GCBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826272443	947788869	/nfs/dbraw/zinc/78/88/69/947788869.db2.gz	JUPYKPXQKIWWCD-UHFFFAOYSA-N	-2	3	377.342	0.530	20	5		GCBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826272443	947788876	/nfs/dbraw/zinc/78/88/76/947788876.db2.gz	JUPYKPXQKIWWCD-UHFFFAOYSA-N	-2	3	377.342	0.530	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000826358371	948112528	/nfs/dbraw/zinc/11/25/28/948112528.db2.gz	QVAIOVFEIJULFH-UHFFFAOYSA-N	-2	3	395.332	0.371	20	5		GCBDHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000826358371	948112533	/nfs/dbraw/zinc/11/25/33/948112533.db2.gz	QVAIOVFEIJULFH-UHFFFAOYSA-N	-2	3	395.332	0.371	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-][C@@H]2CCCCN(CC(=O)[O-])C2=O)c([N+](=O)[O-])s1	ZINC001605219581	972966929	/nfs/dbraw/zinc/96/69/29/972966929.db2.gz	IPVXEIZHKMCAHY-SECBINFHSA-N	-2	3	391.427	0.709	20	5		GCBDHL
CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000579717949	530193560	/nfs/dbraw/zinc/19/35/60/530193560.db2.gz	MDJSLSGVKCLCKD-QMMMGPOBSA-N	-2	3	380.400	0.395	20	5		GCBDHL
CCOC[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000290686251	530369471	/nfs/dbraw/zinc/36/94/71/530369471.db2.gz	QLWSOQMLUOLCIK-QMMMGPOBSA-N	-2	3	376.343	0.134	20	5		GCBDHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000568311207	530486155	/nfs/dbraw/zinc/48/61/55/530486155.db2.gz	CLTSYYPAEUGXSV-UHFFFAOYSA-N	-2	3	389.777	0.604	20	5		GCBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000574814284	530563455	/nfs/dbraw/zinc/56/34/55/530563455.db2.gz	BYGUGQDGNCLVJM-SECBINFHSA-N	-2	3	378.384	0.149	20	5		GCBDHL
CCOC(=O)COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414329039	530597590	/nfs/dbraw/zinc/59/75/90/530597590.db2.gz	ORSCVTYRTDKZLV-UHFFFAOYSA-N	-2	3	376.343	0.151	20	5		GCBDHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000274911025	530696738	/nfs/dbraw/zinc/69/67/38/530696738.db2.gz	KPOGEZULKRNBRC-SSDOTTSWSA-N	-2	3	385.276	0.221	20	5		GCBDHL
CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])S(C)(=O)=O	ZINC000593312821	530799826	/nfs/dbraw/zinc/79/98/26/530799826.db2.gz	JNNNAVCRPPONFR-UHFFFAOYSA-N	-2	3	380.400	0.395	20	5		GCBDHL
CC(C)(C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])S(C)(=O)=O	ZINC000593312714	530800200	/nfs/dbraw/zinc/80/02/00/530800200.db2.gz	HEAMKCTXQWVJPX-UHFFFAOYSA-N	-2	3	380.400	0.395	20	5		GCBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-]	ZINC000274964525	530819862	/nfs/dbraw/zinc/81/98/62/530819862.db2.gz	VMHPASPJYKONIU-SNVBAGLBSA-N	-2	3	392.411	0.866	20	5		GCBDHL
O=C([O-])[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000275022314	530906614	/nfs/dbraw/zinc/90/66/14/530906614.db2.gz	SBBHCYSIOQAOFE-NSHDSACASA-N	-2	3	393.805	0.312	20	5		GCBDHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000275212874	530906961	/nfs/dbraw/zinc/90/69/61/530906961.db2.gz	HWENSFQRHSBOHB-SECBINFHSA-N	-2	3	380.762	0.933	20	5		GCBDHL
COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC000275189625	530907236	/nfs/dbraw/zinc/90/72/36/530907236.db2.gz	FJWRDOSBPJJGHY-VIFPVBQESA-N	-2	3	376.343	0.288	20	5		GCBDHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000275382347	530908633	/nfs/dbraw/zinc/90/86/33/530908633.db2.gz	ZRWRMFDVZLDCBJ-ZETCQYMHSA-N	-2	3	380.762	0.851	20	5		GCBDHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275352896	530908741	/nfs/dbraw/zinc/90/87/41/530908741.db2.gz	WMAJWOAIDZMKBA-SECBINFHSA-N	-2	3	376.343	0.288	20	5		GCBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC	ZINC000530435270	530895294	/nfs/dbraw/zinc/89/52/94/530895294.db2.gz	MOMOLGAOAUSXLR-VIFPVBQESA-N	-2	3	376.343	0.149	20	5		GCBDHL
COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000325809521	530913897	/nfs/dbraw/zinc/91/38/97/530913897.db2.gz	HDDXHEPZRWAJIX-QMMMGPOBSA-N	-2	3	380.762	0.933	20	5		GCBDHL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1	ZINC000487662610	530950167	/nfs/dbraw/zinc/95/01/67/530950167.db2.gz	RZJAEXNQLQRKNL-UHFFFAOYSA-N	-2	3	387.355	0.799	20	5		GCBDHL
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000737297950	598974408	/nfs/dbraw/zinc/97/44/08/598974408.db2.gz	HCELYFMRZDZPLY-UHFFFAOYSA-N	-2	3	377.342	0.530	20	5		GCBDHL
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000737297950	598974410	/nfs/dbraw/zinc/97/44/10/598974410.db2.gz	HCELYFMRZDZPLY-UHFFFAOYSA-N	-2	3	377.342	0.530	20	5		GCBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1	ZINC000823645560	599234949	/nfs/dbraw/zinc/23/49/49/599234949.db2.gz	TXRMUZOIIHJQQK-UHFFFAOYSA-N	-2	3	392.313	0.879	20	5		GCBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1	ZINC000823645560	599234951	/nfs/dbraw/zinc/23/49/51/599234951.db2.gz	TXRMUZOIIHJQQK-UHFFFAOYSA-N	-2	3	392.313	0.879	20	5		GCBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1	ZINC000737115942	598637878	/nfs/dbraw/zinc/63/78/78/598637878.db2.gz	SRKPLBNXVLVEHI-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1	ZINC000737115942	598637880	/nfs/dbraw/zinc/63/78/80/598637880.db2.gz	SRKPLBNXVLVEHI-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1	ZINC000737116022	598638085	/nfs/dbraw/zinc/63/80/85/598638085.db2.gz	QWTRTGXUWTYMIV-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1	ZINC000737116022	598638087	/nfs/dbraw/zinc/63/80/87/598638087.db2.gz	QWTRTGXUWTYMIV-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1	ZINC000826393514	608220360	/nfs/dbraw/zinc/22/03/60/608220360.db2.gz	VVHFWRVHAQWDFY-UHFFFAOYSA-N	-2	3	390.341	0.070	20	5		GCBDHL
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1	ZINC000826393514	608220361	/nfs/dbraw/zinc/22/03/61/608220361.db2.gz	VVHFWRVHAQWDFY-UHFFFAOYSA-N	-2	3	390.341	0.070	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc([N+](=O)[O-])c1F	ZINC000826272626	608528547	/nfs/dbraw/zinc/52/85/47/608528547.db2.gz	TVSSZYJQHYDPMX-UHFFFAOYSA-N	-2	3	382.337	0.757	20	5		GCBDHL
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000278173610	1186812920	/nfs/dbraw/zinc/81/29/20/1186812920.db2.gz	DLOCIDAOCPMFCM-UHFFFAOYSA-N	-2	3	399.303	0.483	20	5		GCBDHL
COC[C@](C)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000581941994	530326516	/nfs/dbraw/zinc/32/65/16/530326516.db2.gz	PEZMUUSRGXZAEZ-ZDUSSCGKSA-N	-2	3	376.343	0.134	20	5		GCBDHL
CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414388151	530598234	/nfs/dbraw/zinc/59/82/34/530598234.db2.gz	BOMMPUHEQLVETR-UHFFFAOYSA-N	-2	3	380.400	0.396	20	5		GCBDHL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])c1	ZINC000275100963	530851777	/nfs/dbraw/zinc/85/17/77/530851777.db2.gz	QOVZBDKYYZWYES-SSDOTTSWSA-N	-2	3	379.778	0.554	20	5		GCBDHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000274903552	530905478	/nfs/dbraw/zinc/90/54/78/530905478.db2.gz	IRFSYWGHMRENRE-SECBINFHSA-N	-2	3	383.176	0.471	20	5		GCBDHL
COCCN(CCOC)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000274897332	530905684	/nfs/dbraw/zinc/90/56/84/530905684.db2.gz	HGTNSANXRXJDOZ-UHFFFAOYSA-N	-2	3	377.375	0.545	20	5		GCBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275088729	530906136	/nfs/dbraw/zinc/90/61/36/530906136.db2.gz	OMJISMNMCZFRDA-QMMMGPOBSA-N	-2	3	379.778	0.554	20	5		GCBDHL
COc1c(F)cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276871532	530912136	/nfs/dbraw/zinc/91/21/36/530912136.db2.gz	CVWIEDCPFZARJZ-LURJTMIESA-N	-3	3	380.306	0.196	20	5		GCBDHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000274946724	530950321	/nfs/dbraw/zinc/95/03/21/530950321.db2.gz	RVDWOMKULVGKIQ-CDUCUWFYSA-N	-2	3	383.176	0.470	20	5		GCBDHL
COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000275031102	530993858	/nfs/dbraw/zinc/99/38/58/530993858.db2.gz	FQQXDNGQSQRGRI-SNVBAGLBSA-N	-2	3	376.343	0.149	20	5		GCBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-]	ZINC000548207493	531087941	/nfs/dbraw/zinc/08/79/41/531087941.db2.gz	KSHYMTNUUDETSN-QMMMGPOBSA-N	-2	3	382.297	0.768	20	5		GCBDHL
COc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000737160844	599041917	/nfs/dbraw/zinc/04/19/17/599041917.db2.gz	FTWAXSQDYWGRLD-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
COc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000737160844	599041919	/nfs/dbraw/zinc/04/19/19/599041919.db2.gz	FTWAXSQDYWGRLD-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826450428	607777322	/nfs/dbraw/zinc/77/73/22/607777322.db2.gz	LZGBMHXGBICXNS-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826450428	607777323	/nfs/dbraw/zinc/77/73/23/607777323.db2.gz	LZGBMHXGBICXNS-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1	ZINC000821727134	599233303	/nfs/dbraw/zinc/23/33/03/599233303.db2.gz	CQIKBGNYYROCGN-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1	ZINC000821727134	599233305	/nfs/dbraw/zinc/23/33/05/599233305.db2.gz	CQIKBGNYYROCGN-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)ccc1[N+](=O)[O-]	ZINC000826272317	607778553	/nfs/dbraw/zinc/77/85/53/607778553.db2.gz	DHOLWCQZYCTTOW-UHFFFAOYSA-N	-2	3	377.342	0.530	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccc(-c2nnn[n-]2)c1	ZINC000738140802	598752698	/nfs/dbraw/zinc/75/26/98/598752698.db2.gz	WTUDLQAMPYYVAW-UHFFFAOYSA-N	-2	3	380.367	0.955	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccc(-c2nn[n-]n2)c1	ZINC000738140802	598752699	/nfs/dbraw/zinc/75/26/99/598752699.db2.gz	WTUDLQAMPYYVAW-UHFFFAOYSA-N	-2	3	380.367	0.955	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826450435	607776881	/nfs/dbraw/zinc/77/68/81/607776881.db2.gz	MGLFKNZJVNAQSS-UHFFFAOYSA-N	-2	3	397.760	0.875	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826450435	607776882	/nfs/dbraw/zinc/77/68/82/607776882.db2.gz	MGLFKNZJVNAQSS-UHFFFAOYSA-N	-2	3	397.760	0.875	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)ccc1[N+](=O)[O-]	ZINC000826272317	607778552	/nfs/dbraw/zinc/77/85/52/607778552.db2.gz	DHOLWCQZYCTTOW-UHFFFAOYSA-N	-2	3	377.342	0.530	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1	ZINC000826357722	608267461	/nfs/dbraw/zinc/26/74/61/608267461.db2.gz	OQCQPKSGMYBIQA-UHFFFAOYSA-N	-2	3	378.374	0.493	20	5		GCBDHL
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000826470228	609150893	/nfs/dbraw/zinc/15/08/93/609150893.db2.gz	ISLBHEDRPWVVCL-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776458346	641096774	/nfs/dbraw/zinc/09/67/74/641096774.db2.gz	KOSWGHRYRCVSRK-QMMMGPOBSA-N	-2	3	383.176	0.471	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-][C@H]2CCCCN(CC(=O)[O-])C2=O)c([N+](=O)[O-])s1	ZINC001605219582	972967192	/nfs/dbraw/zinc/96/71/92/972967192.db2.gz	IPVXEIZHKMCAHY-VIFPVBQESA-N	-2	3	391.427	0.709	20	5		GCBDHL
CCOC(=O)COCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000579965923	530322604	/nfs/dbraw/zinc/32/26/04/530322604.db2.gz	WWNKOTYEMNCHRE-UHFFFAOYSA-N	-2	3	376.343	0.151	20	5		GCBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)c1[N+](=O)[O-]	ZINC000582006165	530326525	/nfs/dbraw/zinc/32/65/25/530326525.db2.gz	BTAOJNDJHDCGMI-UHFFFAOYSA-N	-2	3	385.276	0.250	20	5		GCBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000582305184	530327276	/nfs/dbraw/zinc/32/72/76/530327276.db2.gz	QOMXONSECFBNBN-SECBINFHSA-N	-2	3	392.411	0.396	20	5		GCBDHL
CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000583756571	530358154	/nfs/dbraw/zinc/35/81/54/530358154.db2.gz	JAWKUJRHZJDEIV-UHFFFAOYSA-N	-2	3	392.411	0.396	20	5		GCBDHL
CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000290329328	530359810	/nfs/dbraw/zinc/35/98/10/530359810.db2.gz	JJECJIVOTIGTLP-UHFFFAOYSA-N	-2	3	381.794	0.848	20	5		GCBDHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCS(=O)(=O)CC2)c1	ZINC000566316392	530374237	/nfs/dbraw/zinc/37/42/37/530374237.db2.gz	WAWJSLKBEWSWCI-UHFFFAOYSA-N	-2	3	392.411	0.396	20	5		GCBDHL
CS(=O)(=O)CCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000567903401	530474872	/nfs/dbraw/zinc/47/48/72/530474872.db2.gz	QZNVUSBTJFXUOQ-UHFFFAOYSA-N	-2	3	394.427	0.786	20	5		GCBDHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000275112817	530900154	/nfs/dbraw/zinc/90/01/54/530900154.db2.gz	SBDHHLPMZKNWKR-QMMMGPOBSA-N	-2	3	383.176	0.471	20	5		GCBDHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000274910101	530905547	/nfs/dbraw/zinc/90/55/47/530905547.db2.gz	KLYHWBJJFUUMHO-SSDOTTSWSA-N	-3	3	386.260	0.820	20	5		GCBDHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000274900420	530905718	/nfs/dbraw/zinc/90/57/18/530905718.db2.gz	HZQLSEGJXSXCPH-VIFPVBQESA-N	-2	3	383.176	0.471	20	5		GCBDHL
O=C([O-])CSCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000275074505	530906089	/nfs/dbraw/zinc/90/60/89/530906089.db2.gz	XHKSAHTZTRUYBA-UHFFFAOYSA-N	-2	3	378.384	0.462	20	5		GCBDHL
C[N-]S(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])s1	ZINC000525699400	530880554	/nfs/dbraw/zinc/88/05/54/530880554.db2.gz	BMIVDRNFVXRIPJ-UHFFFAOYSA-N	-2	3	392.440	0.438	20	5		GCBDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000600649438	530931184	/nfs/dbraw/zinc/93/11/84/530931184.db2.gz	ULWNIVNPBBUNQC-UHFFFAOYSA-N	-2	3	389.415	0.809	20	5		GCBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000277273196	530913058	/nfs/dbraw/zinc/91/30/58/530913058.db2.gz	JMDZTYOBWNGOAJ-UHFFFAOYSA-N	-2	3	389.777	0.825	20	5		GCBDHL
CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000278138144	530915975	/nfs/dbraw/zinc/91/59/75/530915975.db2.gz	NEVOUJWIONGREV-JTQLQIEISA-N	-2	3	378.334	0.809	20	5		GCBDHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000274948002	530950793	/nfs/dbraw/zinc/95/07/93/530950793.db2.gz	SBDHHLPMZKNWKR-MRVPVSSYSA-N	-2	3	383.176	0.471	20	5		GCBDHL
C[C@@](O)(C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263515683	531003504	/nfs/dbraw/zinc/00/35/04/531003504.db2.gz	ZRINOWSSFFFCHT-SNVBAGLBSA-N	-2	3	383.176	0.471	20	5		GCBDHL
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-]	ZINC000821845264	599234421	/nfs/dbraw/zinc/23/44/21/599234421.db2.gz	DVGYKKMSCFOTLV-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000823078172	606182328	/nfs/dbraw/zinc/18/23/28/606182328.db2.gz	HGQIVHAQTBFABU-UHFFFAOYSA-N	-2	3	389.353	0.218	20	5		GCBDHL
O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000823078172	606182329	/nfs/dbraw/zinc/18/23/29/606182329.db2.gz	HGQIVHAQTBFABU-UHFFFAOYSA-N	-2	3	389.353	0.218	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000822645731	606406391	/nfs/dbraw/zinc/40/63/91/606406391.db2.gz	MIDRNSWJQQMDMI-UHFFFAOYSA-N	-2	3	391.369	0.373	20	5		GCBDHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000822645731	606406393	/nfs/dbraw/zinc/40/63/93/606406393.db2.gz	MIDRNSWJQQMDMI-UHFFFAOYSA-N	-2	3	391.369	0.373	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000822645703	606406493	/nfs/dbraw/zinc/40/64/93/606406493.db2.gz	LHNGMHOVTZUMIW-UHFFFAOYSA-N	-2	3	377.342	0.232	20	5		GCBDHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000822645703	606406495	/nfs/dbraw/zinc/40/64/95/606406495.db2.gz	LHNGMHOVTZUMIW-UHFFFAOYSA-N	-2	3	377.342	0.232	20	5		GCBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000822213203	606407250	/nfs/dbraw/zinc/40/72/50/606407250.db2.gz	YWGDWZCYNUEZNY-UHFFFAOYSA-N	-2	3	391.369	0.541	20	5		GCBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000822213203	606407251	/nfs/dbraw/zinc/40/72/51/606407251.db2.gz	YWGDWZCYNUEZNY-UHFFFAOYSA-N	-2	3	391.369	0.541	20	5		GCBDHL
NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000822890077	606981206	/nfs/dbraw/zinc/98/12/06/606981206.db2.gz	LSNLNDOAJUVRBG-UHFFFAOYSA-N	-2	3	395.382	0.736	20	5		GCBDHL
NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000822890077	606981208	/nfs/dbraw/zinc/98/12/08/606981208.db2.gz	LSNLNDOAJUVRBG-UHFFFAOYSA-N	-2	3	395.382	0.736	20	5		GCBDHL
Cc1nnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)s1	ZINC000826335456	609587271	/nfs/dbraw/zinc/58/72/71/609587271.db2.gz	NVZXKZAEQHWHHJ-UHFFFAOYSA-N	-2	3	382.387	0.413	20	5		GCBDHL
Cc1nnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1	ZINC000826335456	609587273	/nfs/dbraw/zinc/58/72/73/609587273.db2.gz	NVZXKZAEQHWHHJ-UHFFFAOYSA-N	-2	3	382.387	0.413	20	5		GCBDHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776443221	641096277	/nfs/dbraw/zinc/09/62/77/641096277.db2.gz	DQJMYMRAFIVJLQ-ZETCQYMHSA-N	-3	3	397.159	0.564	20	5		GCBDHL
Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])n1	ZINC000548548247	1186310612	/nfs/dbraw/zinc/31/06/12/1186310612.db2.gz	JZLIDWVXZAUFKO-LBPRGKRZSA-N	-2	3	386.361	0.979	20	5		GCBDHL
CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000579717939	530193405	/nfs/dbraw/zinc/19/34/05/530193405.db2.gz	MDJSLSGVKCLCKD-MRVPVSSYSA-N	-2	3	380.400	0.395	20	5		GCBDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000573255153	530296549	/nfs/dbraw/zinc/29/65/49/530296549.db2.gz	MXEMXRODYAFNHC-MRVPVSSYSA-N	-2	3	392.411	0.537	20	5		GCBDHL
C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000573255154	530296765	/nfs/dbraw/zinc/29/67/65/530296765.db2.gz	MXEMXRODYAFNHC-QMMMGPOBSA-N	-2	3	392.411	0.537	20	5		GCBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]CC2CCS(=O)(=O)CC2)c1[N+](=O)[O-]	ZINC000563814439	530350133	/nfs/dbraw/zinc/35/01/33/530350133.db2.gz	SGNVHBDOXSEWQR-UHFFFAOYSA-N	-2	3	392.411	0.396	20	5		GCBDHL
CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC000568638038	530490352	/nfs/dbraw/zinc/49/03/52/530490352.db2.gz	KGDRGRRVSOQEKX-UHFFFAOYSA-N	-2	3	392.411	0.396	20	5		GCBDHL
COc1c(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000574573074	530515754	/nfs/dbraw/zinc/51/57/54/530515754.db2.gz	XKXOOSHXUALYMV-HQJQHLMTSA-N	-2	3	378.334	0.511	20	5		GCBDHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000584826434	530517187	/nfs/dbraw/zinc/51/71/87/530517187.db2.gz	MZILOTSKNPGBNV-ZCFIWIBFSA-N	-2	3	385.276	0.221	20	5		GCBDHL
CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000574695587	530561218	/nfs/dbraw/zinc/56/12/18/530561218.db2.gz	RYWJNGGPNHVKCL-MRVPVSSYSA-N	-2	3	380.400	0.395	20	5		GCBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000593305770	530799768	/nfs/dbraw/zinc/79/97/68/530799768.db2.gz	OLFORQWGOJVQMK-QMMMGPOBSA-N	-2	3	378.384	0.006	20	5		GCBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000593305769	530800237	/nfs/dbraw/zinc/80/02/37/530800237.db2.gz	OLFORQWGOJVQMK-MRVPVSSYSA-N	-2	3	378.384	0.006	20	5		GCBDHL
COCCCS(=O)(=O)[N-]CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000273613231	530816492	/nfs/dbraw/zinc/81/64/92/530816492.db2.gz	PTSNESRQCBDBBW-UHFFFAOYSA-N	-2	3	381.794	0.848	20	5		GCBDHL
CCOC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000576754096	530870939	/nfs/dbraw/zinc/87/09/39/530870939.db2.gz	QLWSOQMLUOLCIK-MRVPVSSYSA-N	-2	3	376.343	0.134	20	5		GCBDHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000274903581	530905523	/nfs/dbraw/zinc/90/55/23/530905523.db2.gz	IUAOJUNWSREHHQ-VIFPVBQESA-N	-2	3	383.176	0.471	20	5		GCBDHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1	ZINC000619708988	530882476	/nfs/dbraw/zinc/88/24/76/530882476.db2.gz	LWARIGYRBTZZGE-NSHDSACASA-N	-2	3	395.187	0.879	20	5		GCBDHL
COCCc1nc(=NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s[n-]1	ZINC000426895039	530894873	/nfs/dbraw/zinc/89/48/73/530894873.db2.gz	FXIVMQADXQXNQR-UHFFFAOYSA-N	-2	3	387.443	0.448	20	5		GCBDHL
COc1c(F)cc(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000277324732	530913108	/nfs/dbraw/zinc/91/31/08/530913108.db2.gz	UWLPAGODULMZCU-CYBMUJFWSA-N	-2	3	380.350	0.494	20	5		GCBDHL
Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)n1	ZINC000826337970	607603505	/nfs/dbraw/zinc/60/35/05/607603505.db2.gz	HKHYNVMJWRGRBX-LURJTMIESA-N	-2	3	380.346	0.506	20	5		GCBDHL
Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)n1	ZINC000826337970	607603507	/nfs/dbraw/zinc/60/35/07/607603507.db2.gz	HKHYNVMJWRGRBX-LURJTMIESA-N	-2	3	380.346	0.506	20	5		GCBDHL
O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)c1F	ZINC000833293703	604364071	/nfs/dbraw/zinc/36/40/71/604364071.db2.gz	DPVJRUSTVOHRNN-UHFFFAOYSA-N	-2	3	376.297	0.746	20	5		GCBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)ccc1[O-]	ZINC000823635222	606338315	/nfs/dbraw/zinc/33/83/15/606338315.db2.gz	UHFDZSIWJKVKQL-UHFFFAOYSA-N	-3	3	378.326	0.987	20	5		GCBDHL
COc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-]	ZINC000821728426	607035068	/nfs/dbraw/zinc/03/50/68/607035068.db2.gz	WNTQHMWSYQJGHP-UHFFFAOYSA-N	-2	3	380.346	0.318	20	5		GCBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1	ZINC000823493749	607193150	/nfs/dbraw/zinc/19/31/50/607193150.db2.gz	UPUVYPLLXXBEBU-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1	ZINC000823493749	607193151	/nfs/dbraw/zinc/19/31/51/607193151.db2.gz	UPUVYPLLXXBEBU-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1	ZINC000826470386	609143742	/nfs/dbraw/zinc/14/37/42/609143742.db2.gz	OEOZMTFVXVQWAL-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776443220	641096371	/nfs/dbraw/zinc/09/63/71/641096371.db2.gz	DQJMYMRAFIVJLQ-SSDOTTSWSA-N	-3	3	397.159	0.564	20	5		GCBDHL
Cn1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])nc1Cl	ZINC000776535386	641099741	/nfs/dbraw/zinc/09/97/41/641099741.db2.gz	CTZGFXNSEXNVNY-VIFPVBQESA-N	-2	3	388.789	0.956	20	5		GCBDHL
NC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000275050613	1184476179	/nfs/dbraw/zinc/47/61/79/1184476179.db2.gz	IDLDPLICPCMRCQ-QMMMGPOBSA-N	-2	3	399.303	0.611	20	5		GCBDHL
Cc1[nH]nc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826322393	947942708	/nfs/dbraw/zinc/94/27/08/947942708.db2.gz	KPUNGVDPFNEAAB-UHFFFAOYSA-N	-2	3	378.374	0.791	20	5		GCBDHL
Cc1[nH]nc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826322393	947942711	/nfs/dbraw/zinc/94/27/11/947942711.db2.gz	KPUNGVDPFNEAAB-UHFFFAOYSA-N	-2	3	378.374	0.791	20	5		GCBDHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000560896619	530183872	/nfs/dbraw/zinc/18/38/72/530183872.db2.gz	MZILOTSKNPGBNV-LURJTMIESA-N	-2	3	385.276	0.221	20	5		GCBDHL
CCS(=O)(=O)CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000582967446	530332376	/nfs/dbraw/zinc/33/23/76/530332376.db2.gz	FGEOSOCTZSTYQY-UHFFFAOYSA-N	-2	3	380.400	0.396	20	5		GCBDHL
CCOC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000290750177	530380355	/nfs/dbraw/zinc/38/03/55/530380355.db2.gz	YCNFZPXDSCNZGY-JTQLQIEISA-N	-2	3	376.343	0.149	20	5		GCBDHL
CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000572770453	530521301	/nfs/dbraw/zinc/52/13/01/530521301.db2.gz	UNKAHBGMIBMGCV-QMMMGPOBSA-N	-2	3	380.400	0.395	20	5		GCBDHL
O=c1nc(CC[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[n-]o1	ZINC000573609866	530524797	/nfs/dbraw/zinc/52/47/97/530524797.db2.gz	IMVATPOUAOFPJD-UHFFFAOYSA-N	-2	3	393.175	0.555	20	5		GCBDHL
COc1c(F)cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)cc1[N+](=O)[O-]	ZINC000367141898	530583828	/nfs/dbraw/zinc/58/38/28/530583828.db2.gz	WNMNUQNZGOIFAP-UHFFFAOYSA-N	-2	3	378.334	0.655	20	5		GCBDHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274905344	530696770	/nfs/dbraw/zinc/69/67/70/530696770.db2.gz	JDXGMZWTGKCTGF-CDUCUWFYSA-N	-2	3	383.176	0.470	20	5		GCBDHL
CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000593312557	530800260	/nfs/dbraw/zinc/80/02/60/530800260.db2.gz	UEWJRCPNLILPRA-UHFFFAOYSA-N	-2	3	380.400	0.396	20	5		GCBDHL
O=C([O-])[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000275022312	530906101	/nfs/dbraw/zinc/90/61/01/530906101.db2.gz	SBBHCYSIOQAOFE-LLVKDONJSA-N	-2	3	393.805	0.312	20	5		GCBDHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000275033252	530906461	/nfs/dbraw/zinc/90/64/61/530906461.db2.gz	FWQDOPKZESDNDN-QMMMGPOBSA-N	-2	3	383.176	0.471	20	5		GCBDHL
COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000275212879	530907041	/nfs/dbraw/zinc/90/70/41/530907041.db2.gz	HWENSFQRHSBOHB-VIFPVBQESA-N	-2	3	380.762	0.933	20	5		GCBDHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000275130694	530907090	/nfs/dbraw/zinc/90/70/90/530907090.db2.gz	VIGNHPOBGLFNTJ-QMMMGPOBSA-N	-2	3	383.176	0.471	20	5		GCBDHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000275216193	530907258	/nfs/dbraw/zinc/90/72/58/530907258.db2.gz	IBIFFGRQDSNHEB-SECBINFHSA-N	-2	3	376.343	0.288	20	5		GCBDHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCOC1	ZINC000370313010	530887444	/nfs/dbraw/zinc/88/74/44/530887444.db2.gz	FWCLKCIDOWDAFQ-NSHDSACASA-N	-2	3	395.187	0.879	20	5		GCBDHL
COc1c(F)cc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000277324734	530912783	/nfs/dbraw/zinc/91/27/83/530912783.db2.gz	UWLPAGODULMZCU-ZDUSSCGKSA-N	-2	3	380.350	0.494	20	5		GCBDHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c(F)c1	ZINC000461108417	530983562	/nfs/dbraw/zinc/98/35/62/530983562.db2.gz	AEAYAWZIRVXEHM-UHFFFAOYSA-N	-2	3	390.374	0.723	20	5		GCBDHL
CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548221719	531088872	/nfs/dbraw/zinc/08/88/72/531088872.db2.gz	BINNCHVUCKLKQM-VIFPVBQESA-N	-2	3	383.176	0.735	20	5		GCBDHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-]	ZINC000297172163	531093978	/nfs/dbraw/zinc/09/39/78/531093978.db2.gz	KNYCULLYYXALJL-MRVPVSSYSA-N	-2	3	380.762	0.851	20	5		GCBDHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000297261041	531099996	/nfs/dbraw/zinc/09/99/96/531099996.db2.gz	RSFQMWVTIGCRJA-MRVPVSSYSA-N	-2	3	380.306	0.037	20	5		GCBDHL
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000737297573	598974797	/nfs/dbraw/zinc/97/47/97/598974797.db2.gz	CLMQTLXGXMHAIV-UHFFFAOYSA-N	-2	3	391.369	0.541	20	5		GCBDHL
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000737297573	598974799	/nfs/dbraw/zinc/97/47/99/598974799.db2.gz	CLMQTLXGXMHAIV-UHFFFAOYSA-N	-2	3	391.369	0.541	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000822645905	607322765	/nfs/dbraw/zinc/32/27/65/607322765.db2.gz	VTYGUCDDUFIYFF-UHFFFAOYSA-N	-2	3	395.332	0.371	20	5		GCBDHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000822645905	607322766	/nfs/dbraw/zinc/32/27/66/607322766.db2.gz	VTYGUCDDUFIYFF-UHFFFAOYSA-N	-2	3	395.332	0.371	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)ccc1[N+](=O)[O-]	ZINC000822211852	606409077	/nfs/dbraw/zinc/40/90/77/606409077.db2.gz	QIYIUEKZAXIFMT-UHFFFAOYSA-N	-2	3	391.369	0.541	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)ccc1[N+](=O)[O-]	ZINC000822211852	606409078	/nfs/dbraw/zinc/40/90/78/606409078.db2.gz	QIYIUEKZAXIFMT-UHFFFAOYSA-N	-2	3	391.369	0.541	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cc(-c2nnn[n-]2)cs1	ZINC000823284824	606470672	/nfs/dbraw/zinc/47/06/72/606470672.db2.gz	KLOANKUZZVWPQO-UHFFFAOYSA-N	-2	3	381.355	0.350	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cc(-c2nn[n-]n2)cs1	ZINC000823284824	606470674	/nfs/dbraw/zinc/47/06/74/606470674.db2.gz	KLOANKUZZVWPQO-UHFFFAOYSA-N	-2	3	381.355	0.350	20	5		GCBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1C	ZINC000822212738	606709645	/nfs/dbraw/zinc/70/96/45/606709645.db2.gz	FOLKQOSOBMPZNL-UHFFFAOYSA-N	-2	3	378.374	0.926	20	5		GCBDHL
CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC)c([N+](=O)[O-])n1	ZINC000825804920	607933368	/nfs/dbraw/zinc/93/33/68/607933368.db2.gz	KTDOVQHEBYEYDE-UHFFFAOYSA-N	-2	3	394.373	0.801	20	5		GCBDHL
C[C@@](O)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000841783091	639233978	/nfs/dbraw/zinc/23/39/78/639233978.db2.gz	MKBGZZRSIKFRIX-SNVBAGLBSA-N	-2	3	383.176	0.471	20	5		GCBDHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776438691	641096311	/nfs/dbraw/zinc/09/63/11/641096311.db2.gz	YOSJARIRBVBIKU-SSDLBLMSSA-N	-2	3	383.176	0.470	20	5		GCBDHL
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000519631750	1195559837	/nfs/dbraw/zinc/55/98/37/1195559837.db2.gz	OZXVRZZCFYUMJJ-UHFFFAOYSA-N	-2	3	399.303	0.483	20	5		GCBDHL
O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826449650	948314915	/nfs/dbraw/zinc/31/49/15/948314915.db2.gz	CUWZEJGRTAPKCQ-UHFFFAOYSA-N	-2	3	391.369	0.405	20	5		GCBDHL
O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826449650	948314924	/nfs/dbraw/zinc/31/49/24/948314924.db2.gz	CUWZEJGRTAPKCQ-UHFFFAOYSA-N	-2	3	391.369	0.405	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826450558	948315594	/nfs/dbraw/zinc/31/55/94/948315594.db2.gz	RGSLYQLGOQTGBY-UHFFFAOYSA-N	-2	3	397.760	0.875	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826450558	948315603	/nfs/dbraw/zinc/31/56/03/948315603.db2.gz	RGSLYQLGOQTGBY-UHFFFAOYSA-N	-2	3	397.760	0.875	20	5		GCBDHL
COC[C@@](C)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000581941993	530326618	/nfs/dbraw/zinc/32/66/18/530326618.db2.gz	PEZMUUSRGXZAEZ-CYBMUJFWSA-N	-2	3	376.343	0.134	20	5		GCBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000582305185	530327510	/nfs/dbraw/zinc/32/75/10/530327510.db2.gz	QOMXONSECFBNBN-VIFPVBQESA-N	-2	3	392.411	0.396	20	5		GCBDHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000563520881	530526864	/nfs/dbraw/zinc/52/68/64/530526864.db2.gz	CBCCZFXZBZFEQA-MRVPVSSYSA-N	-2	3	382.297	0.768	20	5		GCBDHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000414338471	530597565	/nfs/dbraw/zinc/59/75/65/530597565.db2.gz	ISIUUAZKSRGAEG-QMMMGPOBSA-N	-2	3	392.411	0.537	20	5		GCBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000593307219	530800138	/nfs/dbraw/zinc/80/01/38/530800138.db2.gz	MHUJFDKQFARVSN-MRVPVSSYSA-N	-2	3	378.384	0.149	20	5		GCBDHL
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[N-]S(=O)(=O)c1cccs1	ZINC000533467928	530900520	/nfs/dbraw/zinc/90/05/20/530900520.db2.gz	AIENHMKNLPBFKX-UHFFFAOYSA-N	-2	3	392.440	0.308	20	5		GCBDHL
COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276871537	530911788	/nfs/dbraw/zinc/91/17/88/530911788.db2.gz	CVWIEDCPFZARJZ-ZCFIWIBFSA-N	-3	3	380.306	0.196	20	5		GCBDHL
O=C([O-])c1cn(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1	ZINC000391737606	530919931	/nfs/dbraw/zinc/91/99/31/530919931.db2.gz	YYBTUDOVORZXAZ-UHFFFAOYSA-N	-2	3	375.750	0.516	20	5		GCBDHL
CS(=O)(=O)c1nc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n[n-]1	ZINC000495811852	530938884	/nfs/dbraw/zinc/93/88/84/530938884.db2.gz	UATHMAGGVSBEOV-UHFFFAOYSA-N	-2	3	377.285	0.970	20	5		GCBDHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000297357986	530952552	/nfs/dbraw/zinc/95/25/52/530952552.db2.gz	ZRWRMFDVZLDCBJ-SSDOTTSWSA-N	-2	3	380.762	0.851	20	5		GCBDHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000547880016	530988362	/nfs/dbraw/zinc/98/83/62/530988362.db2.gz	PKNQWNBUISNORP-ZETCQYMHSA-N	-3	3	397.159	0.564	20	5		GCBDHL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1	ZINC000831243237	602309373	/nfs/dbraw/zinc/30/93/73/602309373.db2.gz	YGTZUBZXKLXQJF-UHFFFAOYSA-N	-2	3	396.337	0.780	20	5		GCBDHL
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)n1	ZINC000826337971	607603663	/nfs/dbraw/zinc/60/36/63/607603663.db2.gz	HKHYNVMJWRGRBX-ZCFIWIBFSA-N	-2	3	380.346	0.506	20	5		GCBDHL
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)n1	ZINC000826337971	607603664	/nfs/dbraw/zinc/60/36/64/607603664.db2.gz	HKHYNVMJWRGRBX-ZCFIWIBFSA-N	-2	3	380.346	0.506	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(-c2nnn[n-]2)s1	ZINC000823284478	606182611	/nfs/dbraw/zinc/18/26/11/606182611.db2.gz	HYTSTIXFGDFNET-UHFFFAOYSA-N	-2	3	381.355	0.350	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000822645583	606409126	/nfs/dbraw/zinc/40/91/26/606409126.db2.gz	FXXGHWPURNKYOL-UHFFFAOYSA-N	-2	3	383.371	0.294	20	5		GCBDHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000822645583	606409129	/nfs/dbraw/zinc/40/91/29/606409129.db2.gz	FXXGHWPURNKYOL-UHFFFAOYSA-N	-2	3	383.371	0.294	20	5		GCBDHL
Cc1cc(F)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000822203074	606709545	/nfs/dbraw/zinc/70/95/45/606709545.db2.gz	CVCMFYHWSRLNJN-UHFFFAOYSA-N	-2	3	382.337	0.757	20	5		GCBDHL
COc1ncccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821920509	607154225	/nfs/dbraw/zinc/15/42/25/607154225.db2.gz	UHVOLSFZAWYLBP-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826450443	609404756	/nfs/dbraw/zinc/40/47/56/609404756.db2.gz	MTVQSCOPWXLFGB-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826450443	609404757	/nfs/dbraw/zinc/40/47/57/609404757.db2.gz	MTVQSCOPWXLFGB-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776438689	641096216	/nfs/dbraw/zinc/09/62/16/641096216.db2.gz	YOSJARIRBVBIKU-CDUCUWFYSA-N	-2	3	383.176	0.470	20	5		GCBDHL
NC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000275050606	1184475813	/nfs/dbraw/zinc/47/58/13/1184475813.db2.gz	IDLDPLICPCMRCQ-MRVPVSSYSA-N	-2	3	399.303	0.611	20	5		GCBDHL
NC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1	ZINC000530474058	1196990506	/nfs/dbraw/zinc/99/05/06/1196990506.db2.gz	BQSGPUOXKNVHDS-CYBMUJFWSA-N	-2	3	379.350	0.798	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-]	ZINC000826272267	947789816	/nfs/dbraw/zinc/78/98/16/947789816.db2.gz	BBSNLKJBGFZYIK-UHFFFAOYSA-N	-2	3	377.342	0.530	20	5		GCBDHL
Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-]	ZINC000826272267	947789823	/nfs/dbraw/zinc/78/98/23/947789823.db2.gz	BBSNLKJBGFZYIK-UHFFFAOYSA-N	-2	3	377.342	0.530	20	5		GCBDHL
O=C([O-])CN1CCCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1=O	ZINC001595097060	951826322	/nfs/dbraw/zinc/82/63/22/951826322.db2.gz	UBGBBVDLMAKNPJ-LLVKDONJSA-N	-2	3	389.361	0.478	20	5		GCBDHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000560888931	530270685	/nfs/dbraw/zinc/27/06/85/530270685.db2.gz	GQKXRRLLIOSAHL-UHFFFAOYSA-N	-2	3	385.276	0.093	20	5		GCBDHL
CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000562310980	530291039	/nfs/dbraw/zinc/29/10/39/530291039.db2.gz	NYXNJNZDUYJQCK-MNOVXSKESA-N	-2	3	380.350	0.635	20	5		GCBDHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000414338470	530597398	/nfs/dbraw/zinc/59/73/98/530597398.db2.gz	ISIUUAZKSRGAEG-MRVPVSSYSA-N	-2	3	392.411	0.537	20	5		GCBDHL
O=C([O-])c1cccc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000593310080	530800153	/nfs/dbraw/zinc/80/01/53/530800153.db2.gz	MCCHHRBVMLWGLL-UHFFFAOYSA-N	-2	3	378.384	0.006	20	5		GCBDHL
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[N-]S(=O)(=O)c1ccco1	ZINC000445733397	530823420	/nfs/dbraw/zinc/82/34/20/530823420.db2.gz	NNOZFZPLRZEOQH-UHFFFAOYSA-N	-2	3	375.384	0.445	20	5		GCBDHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000274890814	530905351	/nfs/dbraw/zinc/90/53/51/530905351.db2.gz	FWQDOPKZESDNDN-MRVPVSSYSA-N	-2	3	383.176	0.471	20	5		GCBDHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000274911027	530905794	/nfs/dbraw/zinc/90/57/94/530905794.db2.gz	KPOGEZULKRNBRC-ZETCQYMHSA-N	-2	3	385.276	0.221	20	5		GCBDHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000274969042	530906028	/nfs/dbraw/zinc/90/60/28/530906028.db2.gz	WCPQOCARAAXNLN-VIFPVBQESA-N	-2	3	383.176	0.471	20	5		GCBDHL
COCC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000275129113	530907280	/nfs/dbraw/zinc/90/72/80/530907280.db2.gz	VCLGKAGLXRGUOS-MRVPVSSYSA-N	-2	3	376.343	0.134	20	5		GCBDHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1	ZINC000619709025	530882515	/nfs/dbraw/zinc/88/25/15/530882515.db2.gz	QCPHQJNLJKXHIL-NSHDSACASA-N	-2	3	395.187	0.879	20	5		GCBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC	ZINC000530435269	530895741	/nfs/dbraw/zinc/89/57/41/530895741.db2.gz	MOMOLGAOAUSXLR-SECBINFHSA-N	-2	3	376.343	0.149	20	5		GCBDHL
COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[n-]1	ZINC000460527706	530921627	/nfs/dbraw/zinc/92/16/27/530921627.db2.gz	AIEUWKVQXWMMEG-UHFFFAOYSA-N	-2	3	375.750	0.883	20	5		GCBDHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1F	ZINC000461107126	530982817	/nfs/dbraw/zinc/98/28/17/530982817.db2.gz	KPAUHCZTRFUADX-UHFFFAOYSA-N	-2	3	390.374	0.723	20	5		GCBDHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000547874935	530988076	/nfs/dbraw/zinc/98/80/76/530988076.db2.gz	QOPADZUIRSAFHM-MRVPVSSYSA-N	-3	3	397.159	0.564	20	5		GCBDHL
O=C([O-])c1cn(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1	ZINC000325143237	531086974	/nfs/dbraw/zinc/08/69/74/531086974.db2.gz	CZXLFWIVIWILFV-UHFFFAOYSA-N	-2	3	375.750	0.516	20	5		GCBDHL
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1	ZINC000737761841	599040211	/nfs/dbraw/zinc/04/02/11/599040211.db2.gz	SYVLPZWHUXOQME-UHFFFAOYSA-N	-2	3	389.353	0.675	20	5		GCBDHL
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1	ZINC000737761841	599040214	/nfs/dbraw/zinc/04/02/14/599040214.db2.gz	SYVLPZWHUXOQME-UHFFFAOYSA-N	-2	3	389.353	0.675	20	5		GCBDHL
Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000826249511	607402308	/nfs/dbraw/zinc/40/23/08/607402308.db2.gz	GJAGSQNRLAHHBS-UHFFFAOYSA-N	-2	3	389.353	0.597	20	5		GCBDHL
Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000826249511	607402309	/nfs/dbraw/zinc/40/23/09/607402309.db2.gz	GJAGSQNRLAHHBS-UHFFFAOYSA-N	-2	3	389.353	0.597	20	5		GCBDHL
COC(=O)Cc1c(C(=O)[O-])sc2[n-]c(Cn3cc([N+](=O)[O-])cn3)nc(=O)c12	ZINC000737629115	600361781	/nfs/dbraw/zinc/36/17/81/600361781.db2.gz	YBMVZZNSEYXSOC-UHFFFAOYSA-N	-2	3	393.337	0.551	20	5		GCBDHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc([N+](=O)[O-])c1	ZINC000833300785	600691314	/nfs/dbraw/zinc/69/13/14/600691314.db2.gz	KOIHPCBTSQZXPY-UHFFFAOYSA-N	-3	3	391.317	0.977	20	5		GCBDHL
COc1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)ccc1[N+](=O)[O-]	ZINC000821728276	607026040	/nfs/dbraw/zinc/02/60/40/607026040.db2.gz	SWEHEQLVPSTDRN-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
COc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)ccc1[N+](=O)[O-]	ZINC000821728276	607026042	/nfs/dbraw/zinc/02/60/42/607026042.db2.gz	SWEHEQLVPSTDRN-UHFFFAOYSA-N	-2	3	377.342	0.979	20	5		GCBDHL
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1	ZINC000823472812	607232562	/nfs/dbraw/zinc/23/25/62/607232562.db2.gz	ZZQLGZMWKHOGKE-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1	ZINC000823472812	607232563	/nfs/dbraw/zinc/23/25/63/607232563.db2.gz	ZZQLGZMWKHOGKE-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000826366510	608396031	/nfs/dbraw/zinc/39/60/31/608396031.db2.gz	LRXQWLDXSBIPME-UHFFFAOYSA-N	-3	3	394.329	0.007	20	5		GCBDHL
Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000826366510	608396033	/nfs/dbraw/zinc/39/60/33/608396033.db2.gz	LRXQWLDXSBIPME-UHFFFAOYSA-N	-3	3	394.329	0.007	20	5		GCBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000826470600	609500575	/nfs/dbraw/zinc/50/05/75/609500575.db2.gz	WGCAMOMOWPNBSI-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000826470600	609500577	/nfs/dbraw/zinc/50/05/77/609500577.db2.gz	WGCAMOMOWPNBSI-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776438688	641095528	/nfs/dbraw/zinc/09/55/28/641095528.db2.gz	YOSJARIRBVBIKU-ANLVUFKYSA-N	-2	3	383.176	0.470	20	5		GCBDHL
COCCn1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1	ZINC000414337952	1187841010	/nfs/dbraw/zinc/84/10/10/1187841010.db2.gz	INSXEYOWCFGAOU-UHFFFAOYSA-N	-2	3	384.370	0.614	20	5		GCBDHL
Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001594469504	959540876	/nfs/dbraw/zinc/54/08/76/959540876.db2.gz	HLHPDSNQMGKZOS-ONGXEEELSA-N	-2	3	393.322	0.696	20	5		GCBDHL
Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001594469503	959541944	/nfs/dbraw/zinc/54/19/44/959541944.db2.gz	HLHPDSNQMGKZOS-MWLCHTKSSA-N	-2	3	393.322	0.696	20	5		GCBDHL
CN(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001598246049	991000106	/nfs/dbraw/zinc/00/01/06/991000106.db2.gz	CHNHCCYHFCNRFC-UHFFFAOYSA-N	-2	3	383.386	0.852	20	5		GCBDHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000515297377	530303288	/nfs/dbraw/zinc/30/32/88/530303288.db2.gz	GKLCTXOBIBUFLG-LURJTMIESA-N	-3	3	386.260	0.820	20	5		GCBDHL
C[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000565720365	530352631	/nfs/dbraw/zinc/35/26/31/530352631.db2.gz	PMSUOWKOXPRFGY-MRVPVSSYSA-N	-2	3	392.411	0.537	20	5		GCBDHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCSC1	ZINC000567809459	530473197	/nfs/dbraw/zinc/47/31/97/530473197.db2.gz	UXJXVXFRRJBOSR-ZDUSSCGKSA-N	-2	3	390.395	0.605	20	5		GCBDHL
COCC[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000275129118	530863627	/nfs/dbraw/zinc/86/36/27/530863627.db2.gz	VCLGKAGLXRGUOS-QMMMGPOBSA-N	-2	3	376.343	0.134	20	5		GCBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCSCC(=O)[O-]	ZINC000274933633	530906431	/nfs/dbraw/zinc/90/64/31/530906431.db2.gz	CWSJPTWRXQXLQH-UHFFFAOYSA-N	-2	3	378.384	0.478	20	5		GCBDHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277299107	530912970	/nfs/dbraw/zinc/91/29/70/530912970.db2.gz	RSFQMWVTIGCRJA-QMMMGPOBSA-N	-2	3	380.306	0.037	20	5		GCBDHL
COc1ccc(S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-])c([N+](=O)[O-])c1	ZINC000278591986	530916360	/nfs/dbraw/zinc/91/63/60/530916360.db2.gz	FFVIQGNTYPVWBS-SECBINFHSA-N	-3	3	376.343	0.590	20	5		GCBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-]	ZINC000548207492	531087478	/nfs/dbraw/zinc/08/74/78/531087478.db2.gz	KSHYMTNUUDETSN-MRVPVSSYSA-N	-2	3	382.297	0.768	20	5		GCBDHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548207976	531088280	/nfs/dbraw/zinc/08/82/80/531088280.db2.gz	QOPADZUIRSAFHM-QMMMGPOBSA-N	-3	3	397.159	0.564	20	5		GCBDHL
NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000737761881	599040403	/nfs/dbraw/zinc/04/04/03/599040403.db2.gz	UYUVEVLLKWLXJM-UHFFFAOYSA-N	-2	3	389.353	0.675	20	5		GCBDHL
NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000737761881	599040405	/nfs/dbraw/zinc/04/04/05/599040405.db2.gz	UYUVEVLLKWLXJM-UHFFFAOYSA-N	-2	3	389.353	0.675	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([N+](=O)[O-])[nH]1	ZINC000738138159	598417238	/nfs/dbraw/zinc/41/72/38/598417238.db2.gz	DUVMAUZOLVDWDD-UHFFFAOYSA-N	-2	3	397.760	0.875	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([N+](=O)[O-])[nH]1	ZINC000738138159	598417240	/nfs/dbraw/zinc/41/72/40/598417240.db2.gz	DUVMAUZOLVDWDD-UHFFFAOYSA-N	-2	3	397.760	0.875	20	5		GCBDHL
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c([N+](=O)[O-])c1	ZINC000826211641	607776709	/nfs/dbraw/zinc/77/67/09/607776709.db2.gz	NNSVVPSRZVPHHI-UHFFFAOYSA-N	-2	3	393.341	0.230	20	5		GCBDHL
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c([N+](=O)[O-])c1	ZINC000826211641	607776710	/nfs/dbraw/zinc/77/67/10/607776710.db2.gz	NNSVVPSRZVPHHI-UHFFFAOYSA-N	-2	3	393.341	0.230	20	5		GCBDHL
CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])n1	ZINC000825805028	607933300	/nfs/dbraw/zinc/93/33/00/607933300.db2.gz	OQMLPYOQCVEWJA-UHFFFAOYSA-N	-2	3	382.337	0.931	20	5		GCBDHL
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)n1	ZINC000826363102	608280579	/nfs/dbraw/zinc/28/05/79/608280579.db2.gz	XKEWNPUQWPQHHR-UHFFFAOYSA-N	-2	3	395.343	0.401	20	5		GCBDHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776447185	641096751	/nfs/dbraw/zinc/09/67/51/641096751.db2.gz	HDPRKWJFXQDWCA-MRVPVSSYSA-N	-2	3	383.176	0.471	20	5		GCBDHL
NC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1	ZINC000530474059	1196990290	/nfs/dbraw/zinc/99/02/90/1196990290.db2.gz	BQSGPUOXKNVHDS-ZDUSSCGKSA-N	-2	3	379.350	0.798	20	5		GCBDHL
CCn1cc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c([N+](=O)[O-])n1	ZINC000533787847	1197566312	/nfs/dbraw/zinc/56/63/12/1197566312.db2.gz	YGAFFCSLSFOUOC-UHFFFAOYSA-N	-2	3	378.374	0.716	20	5		GCBDHL
CCn1cc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c([N+](=O)[O-])n1	ZINC000533787847	1197566317	/nfs/dbraw/zinc/56/63/17/1197566317.db2.gz	YGAFFCSLSFOUOC-UHFFFAOYSA-N	-2	3	378.374	0.716	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826450662	948318035	/nfs/dbraw/zinc/31/80/35/948318035.db2.gz	XVJYPQLCYOQGGR-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826450662	948318045	/nfs/dbraw/zinc/31/80/45/948318045.db2.gz	XVJYPQLCYOQGGR-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000581552394	530325622	/nfs/dbraw/zinc/32/56/22/530325622.db2.gz	XFQIRPYIIYHCIY-UHFFFAOYSA-N	-2	3	392.411	0.396	20	5		GCBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000580081120	530333437	/nfs/dbraw/zinc/33/34/37/530333437.db2.gz	DENWOOXVUJQANS-SECBINFHSA-N	-2	3	392.411	0.396	20	5		GCBDHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCSC1	ZINC000567809458	530473180	/nfs/dbraw/zinc/47/31/80/530473180.db2.gz	UXJXVXFRRJBOSR-CYBMUJFWSA-N	-2	3	390.395	0.605	20	5		GCBDHL
CC(C)(CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])S(C)(=O)=O	ZINC000571886496	530508888	/nfs/dbraw/zinc/50/88/88/530508888.db2.gz	XEJGFAVASXRKNL-UHFFFAOYSA-N	-2	3	394.427	0.785	20	5		GCBDHL
CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000574695588	530561088	/nfs/dbraw/zinc/56/10/88/530561088.db2.gz	RYWJNGGPNHVKCL-QMMMGPOBSA-N	-2	3	380.400	0.395	20	5		GCBDHL
O=C([O-])[C@@H]1CC(=O)N(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000275058710	530800995	/nfs/dbraw/zinc/80/09/95/530800995.db2.gz	YOEVQPJAGJAPCW-MRVPVSSYSA-N	-2	3	391.789	0.460	20	5		GCBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275088728	530819832	/nfs/dbraw/zinc/81/98/32/530819832.db2.gz	OMJISMNMCZFRDA-MRVPVSSYSA-N	-2	3	379.778	0.554	20	5		GCBDHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000298865562	530849762	/nfs/dbraw/zinc/84/97/62/530849762.db2.gz	RLQHREHDHSGRST-CDUCUWFYSA-N	-2	3	383.176	0.470	20	5		GCBDHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274905342	530905332	/nfs/dbraw/zinc/90/53/32/530905332.db2.gz	JDXGMZWTGKCTGF-ANLVUFKYSA-N	-2	3	383.176	0.470	20	5		GCBDHL
COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000275216200	530907167	/nfs/dbraw/zinc/90/71/67/530907167.db2.gz	IBIFFGRQDSNHEB-VIFPVBQESA-N	-2	3	376.343	0.288	20	5		GCBDHL
Cc1sc(S(=O)(=O)[N-][C@@H](CN2CCOCC2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548535989	530880411	/nfs/dbraw/zinc/88/04/11/530880411.db2.gz	BGNNASSCRLYSPG-VIFPVBQESA-N	-2	3	379.416	0.028	20	5		GCBDHL
CS(=O)(=O)CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000424605979	530890316	/nfs/dbraw/zinc/89/03/16/530890316.db2.gz	XFXAJSKVNQBEDA-UHFFFAOYSA-N	-2	3	380.400	0.396	20	5		GCBDHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1	ZINC000374448514	530895606	/nfs/dbraw/zinc/89/56/06/530895606.db2.gz	ZGQXMGXINFHNKW-LLVKDONJSA-N	-2	3	395.187	0.879	20	5		GCBDHL
Cn1cc(C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000547894839	531000630	/nfs/dbraw/zinc/00/06/30/531000630.db2.gz	MKYGQLLJBKAZFM-JTQLQIEISA-N	-2	3	388.789	0.956	20	5		GCBDHL
COC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548214456	531087445	/nfs/dbraw/zinc/08/74/45/531087445.db2.gz	WKZAANHREQOKLO-SECBINFHSA-N	-2	3	383.176	0.735	20	5		GCBDHL
COC[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548214461	531087500	/nfs/dbraw/zinc/08/75/00/531087500.db2.gz	WKZAANHREQOKLO-VIFPVBQESA-N	-2	3	383.176	0.735	20	5		GCBDHL
CO[C@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548221718	531088707	/nfs/dbraw/zinc/08/87/07/531088707.db2.gz	BINNCHVUCKLKQM-SECBINFHSA-N	-2	3	383.176	0.735	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1sccc1-c1nnn[n-]1	ZINC000738140308	599026330	/nfs/dbraw/zinc/02/63/30/599026330.db2.gz	RFQSRRJPECEBPK-UHFFFAOYSA-N	-2	3	380.367	0.955	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1sccc1-c1nn[n-]n1	ZINC000738140308	599026332	/nfs/dbraw/zinc/02/63/32/599026332.db2.gz	RFQSRRJPECEBPK-UHFFFAOYSA-N	-2	3	380.367	0.955	20	5		GCBDHL
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)o1	ZINC000826335599	607671287	/nfs/dbraw/zinc/67/12/87/607671287.db2.gz	UCOVOTDAVYYGIV-LURJTMIESA-N	-2	3	380.346	0.506	20	5		GCBDHL
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1	ZINC000826335599	607671289	/nfs/dbraw/zinc/67/12/89/607671289.db2.gz	UCOVOTDAVYYGIV-LURJTMIESA-N	-2	3	380.346	0.506	20	5		GCBDHL
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)o1	ZINC000826335600	607671496	/nfs/dbraw/zinc/67/14/96/607671496.db2.gz	UCOVOTDAVYYGIV-ZCFIWIBFSA-N	-2	3	380.346	0.506	20	5		GCBDHL
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1	ZINC000826335600	607671497	/nfs/dbraw/zinc/67/14/97/607671497.db2.gz	UCOVOTDAVYYGIV-ZCFIWIBFSA-N	-2	3	380.346	0.506	20	5		GCBDHL
CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1	ZINC000825883252	607682454	/nfs/dbraw/zinc/68/24/54/607682454.db2.gz	FCWVIYFAXHYKSO-UHFFFAOYSA-N	-2	3	391.373	0.432	20	5		GCBDHL
CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1	ZINC000825883252	607682456	/nfs/dbraw/zinc/68/24/56/607682456.db2.gz	FCWVIYFAXHYKSO-UHFFFAOYSA-N	-2	3	391.373	0.432	20	5		GCBDHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000822645834	606408064	/nfs/dbraw/zinc/40/80/64/606408064.db2.gz	RLCKROPGHLZKRS-UHFFFAOYSA-N	-2	3	395.332	0.371	20	5		GCBDHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000822645834	606408066	/nfs/dbraw/zinc/40/80/66/606408066.db2.gz	RLCKROPGHLZKRS-UHFFFAOYSA-N	-2	3	395.332	0.371	20	5		GCBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ncccc2-c2nnn[n-]2)CC1	ZINC000823493686	606646723	/nfs/dbraw/zinc/64/67/23/606646723.db2.gz	RXGKEHPMZCRQCB-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ncccc2-c2nn[n-]n2)CC1	ZINC000823493686	606646724	/nfs/dbraw/zinc/64/67/24/606646724.db2.gz	RXGKEHPMZCRQCB-UHFFFAOYSA-N	-2	3	396.367	0.838	20	5		GCBDHL
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826449671	607777028	/nfs/dbraw/zinc/77/70/28/607777028.db2.gz	DYKVJNNKDYYTQE-UHFFFAOYSA-N	-2	3	377.342	0.363	20	5		GCBDHL
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826449671	607777029	/nfs/dbraw/zinc/77/70/29/607777029.db2.gz	DYKVJNNKDYYTQE-UHFFFAOYSA-N	-2	3	377.342	0.363	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826450195	607779946	/nfs/dbraw/zinc/77/99/46/607779946.db2.gz	AOIAYJCTAAMDPZ-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826450195	607779947	/nfs/dbraw/zinc/77/99/47/607779947.db2.gz	AOIAYJCTAAMDPZ-UHFFFAOYSA-N	-2	3	381.305	0.361	20	5		GCBDHL
CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1=O	ZINC000581944261	1187728412	/nfs/dbraw/zinc/72/84/12/1187728412.db2.gz	ZDUJAMXLAXNUCC-JTQLQIEISA-N	-2	3	385.398	0.971	20	5		GCBDHL
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1=O	ZINC000414347417	1187844082	/nfs/dbraw/zinc/84/40/82/1187844082.db2.gz	QYBQTNCPUMHHBL-SECBINFHSA-N	-2	3	385.354	0.107	20	5		GCBDHL