smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)c1	ZINC000012655228	526390615	/nfs/dbraw/zinc/39/06/15/526390615.db2.gz	CLFRROAJRVWTCT-MOSHPQCFSA-N	-1	0	431.404	3.703	50	5		IHBARM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1	ZINC000000805468	557218698	/nfs/dbraw/zinc/21/86/98/557218698.db2.gz	MJTIWIXPPRJDQC-UHFFFAOYSA-N	-1	0	432.479	3.537	50	5		IHBARM
C[C@@H](NC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	ZINC000000819469	557263065	/nfs/dbraw/zinc/26/30/65/557263065.db2.gz	UUMVABGBGYHZKQ-JLTOFOAXSA-N	-1	0	439.855	3.711	50	5		IHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)no1	ZINC000002748686	562930127	/nfs/dbraw/zinc/93/01/27/562930127.db2.gz	ZINYYZAURMLSLK-UHFFFAOYSA-N	-1	0	436.833	3.598	50	5		IHBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)c1C	ZINC000015243971	568737280	/nfs/dbraw/zinc/73/72/80/568737280.db2.gz	MVJSQPMQJHETIU-UHFFFAOYSA-N	-1	0	441.513	3.997	50	5		IHBARM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036160967	568967384	/nfs/dbraw/zinc/96/73/84/568967384.db2.gz	VDKRKRMLCWCXMJ-CXUHLZMHSA-N	-1	0	445.409	3.844	50	5		IHBARM
CC(C)Cn1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccccc3nc21	ZINC000017016490	569170183	/nfs/dbraw/zinc/17/01/83/569170183.db2.gz	QABCSIZUPYFZOR-UHFFFAOYSA-N	-1	0	425.470	3.950	50	5		IHBARM
O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000095376470	569362966	/nfs/dbraw/zinc/36/29/66/569362966.db2.gz	SRNFDYSBDJZXKV-UHFFFAOYSA-N	-1	0	435.845	3.572	50	5		IHBARM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc2ccccc21	ZINC000058026877	569445448	/nfs/dbraw/zinc/44/54/48/569445448.db2.gz	GFVKRSXEIRIOMO-HXUWFJFHSA-N	-1	0	428.466	3.639	50	5		IHBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002991833	569583887	/nfs/dbraw/zinc/58/38/87/569583887.db2.gz	SDLXZYCSDHMPCI-UHFFFAOYSA-N	-1	0	438.874	3.758	50	5		IHBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000006146428	193884025	/nfs/dbraw/zinc/88/40/25/193884025.db2.gz	YNWGUKOOSKESHR-UHFFFAOYSA-N	-1	0	445.428	3.796	50	5		IHBARM
O=[N+]([O-])c1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1NN(c1ccccc1)c1ccccc1	ZINC000004802783	557131431	/nfs/dbraw/zinc/13/14/31/557131431.db2.gz	MSZZGNKXMMKCCM-UHFFFAOYSA-N	-1	0	430.398	3.915	50	5		IHBARM
Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c1	ZINC000102734796	557372492	/nfs/dbraw/zinc/37/24/92/557372492.db2.gz	QCMIGTMWYPLPKM-BHDDXSALSA-N	-1	0	429.432	3.954	50	5		IHBARM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1F	ZINC000103623911	557439771	/nfs/dbraw/zinc/43/97/71/557439771.db2.gz	NHZSZGDVBIEKJZ-PZJWPPBQSA-N	-1	0	430.395	3.516	50	5		IHBARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C	ZINC000001162365	568664360	/nfs/dbraw/zinc/66/43/60/568664360.db2.gz	DZRULDWXICEXCP-UHFFFAOYSA-N	-1	0	441.465	3.965	50	5		IHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(O)c2)c1	ZINC000006142078	568845431	/nfs/dbraw/zinc/84/54/31/568845431.db2.gz	GSSZQZIBCNCGGO-UHFFFAOYSA-N	-1	0	437.437	3.788	50	5		IHBARM
O=C([O-])c1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21	ZINC000013372517	569314462	/nfs/dbraw/zinc/31/44/62/569314462.db2.gz	OPDXPZMJGYBQNV-LIKPIUCQSA-N	-1	0	440.411	3.690	50	5		IHBARM
Cc1nn(Cc2c(C)onc2C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)c(C)c1[N+](=O)[O-]	ZINC000019642776	569324925	/nfs/dbraw/zinc/32/49/25/569324925.db2.gz	XOAWXSFPVYSMPP-UHFFFAOYSA-N	-1	0	445.304	3.701	50	5		IHBARM
Cc1nn(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731060	569418879	/nfs/dbraw/zinc/41/88/79/569418879.db2.gz	OMGGAYSQWWWZPV-UHFFFAOYSA-N	-1	0	430.881	3.641	50	5		IHBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000003174531	569441271	/nfs/dbraw/zinc/44/12/71/569441271.db2.gz	IIGYPMLWTATPAM-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1	ZINC000009714603	569562851	/nfs/dbraw/zinc/56/28/51/569562851.db2.gz	VVALMMYYNDWXDM-UHFFFAOYSA-N	-1	0	439.497	3.843	50	5		IHBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000002989532	569583844	/nfs/dbraw/zinc/58/38/44/569583844.db2.gz	PCHXQKCLIAOYBB-UHFFFAOYSA-N	-1	0	438.874	3.758	50	5		IHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)cc1Br	ZINC000095397962	569584245	/nfs/dbraw/zinc/58/42/45/569584245.db2.gz	XUJXLIPRTZLOSF-UHFFFAOYSA-N	-1	0	441.307	3.543	50	5		IHBARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1	ZINC000009440186	132317841	/nfs/dbraw/zinc/31/78/41/132317841.db2.gz	DQCPOBZAHLBLMF-AWEZNQCLSA-N	-1	0	447.513	3.583	50	5		IHBARM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000012624453	526235104	/nfs/dbraw/zinc/23/51/04/526235104.db2.gz	MKWHZGOFOLDQGA-CYBMUJFWSA-N	-1	0	433.486	3.766	50	5		IHBARM
C[C@H](NC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	ZINC000000819468	557262706	/nfs/dbraw/zinc/26/27/06/557262706.db2.gz	UUMVABGBGYHZKQ-VBKZILBWSA-N	-1	0	439.855	3.711	50	5		IHBARM
CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)nn1	ZINC000009715026	562975876	/nfs/dbraw/zinc/97/58/76/562975876.db2.gz	QACIZYCJTHTBHZ-UHFFFAOYSA-N	-1	0	434.861	3.905	50	5		IHBARM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1n[nH]cc1-c1ccccc1Br	ZINC000089591318	569159733	/nfs/dbraw/zinc/15/97/33/569159733.db2.gz	JYUCTIBQEAMATE-UHFFFAOYSA-N	-1	0	437.275	3.857	50	5		IHBARM
COc1ccc(S(=O)(=O)[N-]c2cc3sc(=O)oc3c3ccccc23)cc1[N+](=O)[O-]	ZINC000004149983	569460511	/nfs/dbraw/zinc/46/05/11/569460511.db2.gz	NJCSSQDDIYCPQE-UHFFFAOYSA-N	-1	0	432.435	3.725	50	5		IHBARM
O=c1[nH]c(C=Cc2cc(Br)ccc2OCc2ccccc2)nc([O-])c1[N+](=O)[O-]	ZINC000009295544	569520348	/nfs/dbraw/zinc/52/03/48/569520348.db2.gz	AYZALVJXUCNBQI-RMKNXTFCSA-N	-1	0	444.241	3.896	50	5		IHBARM
COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C	ZINC000016115591	556583874	/nfs/dbraw/zinc/58/38/74/556583874.db2.gz	QTEHMVBIRJPDHU-UHFFFAOYSA-N	-1	0	441.465	3.965	50	5		IHBARM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001301746	568778947	/nfs/dbraw/zinc/77/89/47/568778947.db2.gz	SKGFYHBUPCKPHJ-INIZCTEOSA-N	-1	0	447.241	3.820	50	5		IHBARM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1	ZINC000020029627	569332475	/nfs/dbraw/zinc/33/24/75/569332475.db2.gz	CKGHQDIONKMHTB-INIZCTEOSA-N	-1	0	447.241	3.820	50	5		IHBARM
CCc1noc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000095438453	569366609	/nfs/dbraw/zinc/36/66/09/569366609.db2.gz	CDWRKFGCIQSXOK-UHFFFAOYSA-N	-1	0	430.442	3.507	50	5		IHBARM
Cc1nn(Cc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731606	569419065	/nfs/dbraw/zinc/41/90/65/569419065.db2.gz	XDUBXVWYKMFHFX-UHFFFAOYSA-N	-1	0	448.871	3.780	50	5		IHBARM
Cc1cc([N+](=O)[O-])nn1CCc1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002730687	569419277	/nfs/dbraw/zinc/41/92/77/569419277.db2.gz	NBTMDZKVCFJSQM-UHFFFAOYSA-N	-1	0	444.908	3.836	50	5		IHBARM
Cc1nn(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002731140	569419427	/nfs/dbraw/zinc/41/94/27/569419427.db2.gz	SWCKWZLEJSVDNM-UHFFFAOYSA-N	-1	0	444.908	3.950	50	5		IHBARM
O=[N+]([O-])c1ccn(CCc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)n1	ZINC000002809521	569422941	/nfs/dbraw/zinc/42/29/41/569422941.db2.gz	HRYAUQFNAFTILT-UHFFFAOYSA-N	-1	0	448.871	3.666	50	5		IHBARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1	ZINC000003833003	569456611	/nfs/dbraw/zinc/45/66/11/569456611.db2.gz	PAGBBAMQYMCUBN-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)[nH]1	ZINC000009235265	569514086	/nfs/dbraw/zinc/51/40/86/569514086.db2.gz	KBIXDCSGKIOZKA-CMDGGOBGSA-N	-1	0	440.818	3.937	50	5		IHBARM
O=C(c1ccco1)N1CCCc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009569251	132231929	/nfs/dbraw/zinc/23/19/29/132231929.db2.gz	GHNMQBBTNORDTI-UHFFFAOYSA-N	-1	0	427.438	3.582	50	5		IHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1	ZINC000009714672	132237183	/nfs/dbraw/zinc/23/71/83/132237183.db2.gz	CPRWASPSZCGHHJ-UHFFFAOYSA-N	-1	0	439.497	3.843	50	5		IHBARM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-]	ZINC000012758441	525748038	/nfs/dbraw/zinc/74/80/38/525748038.db2.gz	MNBZDSPYRZFBRD-UHFFFAOYSA-N	-1	0	425.894	3.886	50	5		IHBARM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1=O	ZINC000013955054	556975868	/nfs/dbraw/zinc/97/58/68/556975868.db2.gz	WESMCYOHVNPZNE-UHFFFAOYSA-N	-1	0	445.387	3.654	50	5		IHBARM
Cc1nnc(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)[n-]c1=O	ZINC000018192102	557247026	/nfs/dbraw/zinc/24/70/26/557247026.db2.gz	CJRABECWDFUGGD-HNNXBMFYSA-N	-1	0	431.861	3.919	50	5		IHBARM
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000015019019	568628103	/nfs/dbraw/zinc/62/81/03/568628103.db2.gz	OEPUQQIVMWKWJJ-UHFFFAOYSA-N	-1	0	448.460	3.730	50	5		IHBARM
O=C([O-])COc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1	ZINC000001177695	568732812	/nfs/dbraw/zinc/73/28/12/568732812.db2.gz	GCOZZZRAQNUABF-UHFFFAOYSA-N	-1	0	434.360	3.651	50	5		IHBARM
Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1	ZINC000239302805	569138801	/nfs/dbraw/zinc/13/88/01/569138801.db2.gz	FNORUDMBNCDKKE-BHIFYINESA-N	-1	0	429.432	3.954	50	5		IHBARM
O=[N+]([O-])c1ccn(CCc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n1	ZINC000002732493	569419110	/nfs/dbraw/zinc/41/91/10/569419110.db2.gz	IVVDINNXZYKKFO-UHFFFAOYSA-N	-1	0	430.881	3.527	50	5		IHBARM
O=C([O-])c1cc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)ccc1Cl	ZINC000003146533	132262021	/nfs/dbraw/zinc/26/20/21/132262021.db2.gz	DRRZGUHVUWHHKS-UHFFFAOYSA-N	-1	0	441.739	3.808	50	5		IHBARM
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1	ZINC000012584435	525280528	/nfs/dbraw/zinc/28/05/28/525280528.db2.gz	GZGBFNQQIDGKIQ-UHFFFAOYSA-N	-1	0	447.494	3.543	50	5		IHBARM
CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1c([N+](=O)[O-])cc([N+](=O)[O-])c2[O-]	ZINC000004422394	556503001	/nfs/dbraw/zinc/50/30/01/556503001.db2.gz	ZWGZLYCAGLVLSJ-UHFFFAOYSA-N	-1	0	431.382	3.852	50	5		IHBARM
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000229884439	557833505	/nfs/dbraw/zinc/83/35/05/557833505.db2.gz	XFLYLUWAQGFVEE-BHDDXSALSA-N	-1	0	429.432	3.954	50	5		IHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2)no1	ZINC000002773691	562930202	/nfs/dbraw/zinc/93/02/02/562930202.db2.gz	BHZSLDCHLHJOAH-UHFFFAOYSA-N	-1	0	436.833	3.598	50	5		IHBARM
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)[N-]C(=O)Oc1c(Cl)cc(F)cc1Cl	ZINC000001023883	568652940	/nfs/dbraw/zinc/65/29/40/568652940.db2.gz	BPVVRELCVUYQOZ-UHFFFAOYSA-N	-1	0	433.175	3.987	50	5		IHBARM
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000016382746	568886126	/nfs/dbraw/zinc/88/61/26/568886126.db2.gz	PLEBKAZWOQKIPS-MRXNPFEDSA-N	-1	0	436.346	3.586	50	5		IHBARM
COc1ccc([C@H](CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471567	569282734	/nfs/dbraw/zinc/28/27/34/569282734.db2.gz	VJRCCZDAFDXABA-INIZCTEOSA-N	-1	0	442.399	3.870	50	5		IHBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C2=O)c1	ZINC000230005820	569417276	/nfs/dbraw/zinc/41/72/76/569417276.db2.gz	MKCXUVDFACBFDR-RDPSFJRHSA-N	-1	0	448.479	3.682	50	5		IHBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000002779988	569583871	/nfs/dbraw/zinc/58/38/71/569583871.db2.gz	NNTZYWPRJBXRQQ-UHFFFAOYSA-N	-1	0	438.874	3.758	50	5		IHBARM
Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1	ZINC000089761497	527423981	/nfs/dbraw/zinc/42/39/81/527423981.db2.gz	NMYRIBPGRHXKDT-UHFFFAOYSA-N	-1	0	437.275	3.559	50	5		IHBARM
COc1cc(C=Cc2nc3[n-]cnn3c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000034895112	555927891	/nfs/dbraw/zinc/92/78/91/555927891.db2.gz	PQFYVALYWUCIIV-YWEYNIOJSA-N	-1	0	437.387	3.635	50	5		IHBARM
Cc1nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc1Cc1ccc2c(c1)OCO2	ZINC000024773825	557136842	/nfs/dbraw/zinc/13/68/42/557136842.db2.gz	VTQKXNBUTKQIHA-UHFFFAOYSA-N	-1	0	447.494	3.788	50	5		IHBARM
COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000001139081	568661725	/nfs/dbraw/zinc/66/17/25/568661725.db2.gz	LJSCBGIZBIZXKZ-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1	ZINC000017094765	569172614	/nfs/dbraw/zinc/17/26/14/569172614.db2.gz	COWGWVRABVSRIP-UHFFFAOYSA-N	-1	0	426.376	3.659	50	5		IHBARM
COc1ccc([C@@H](CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471568	569282668	/nfs/dbraw/zinc/28/26/68/569282668.db2.gz	VJRCCZDAFDXABA-MRXNPFEDSA-N	-1	0	442.399	3.870	50	5		IHBARM
CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc([N+](=O)[O-])c1C	ZINC000079001494	569321886	/nfs/dbraw/zinc/32/18/86/569321886.db2.gz	XMHHCLAYWHTLNO-UHFFFAOYSA-N	-1	0	431.426	3.536	50	5		IHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1Br	ZINC000095397961	569363641	/nfs/dbraw/zinc/36/36/41/569363641.db2.gz	TWKWZWBGDQMKRR-UHFFFAOYSA-N	-1	0	426.170	3.572	50	5		IHBARM
O=C([O-])c1cc(Br)ccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000002878171	569423837	/nfs/dbraw/zinc/42/38/37/569423837.db2.gz	SZEOKKQNLLKUDW-UHFFFAOYSA-N	-1	0	425.260	3.927	50	5		IHBARM
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nc3ccccc3[nH]c2=O)c1	ZINC000008710327	569470878	/nfs/dbraw/zinc/47/08/78/569470878.db2.gz	LOAAGUMGXGWLJP-UHFFFAOYSA-N	-1	0	436.449	3.608	50	5		IHBARM
O=C([O-])c1cc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)ccc1Cl	ZINC000002190188	132248461	/nfs/dbraw/zinc/24/84/61/132248461.db2.gz	FYKLVQSKUKJYBJ-UHFFFAOYSA-N	-1	0	441.739	3.808	50	5		IHBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000008994184	132299986	/nfs/dbraw/zinc/29/99/86/132299986.db2.gz	QHIVKBRVVQMSNR-UTKZUKDTSA-N	-1	0	440.843	3.883	50	5		IHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1	ZINC000012532521	525471076	/nfs/dbraw/zinc/47/10/76/525471076.db2.gz	HJHXDANUMCOJEA-UHFFFAOYSA-N	-1	0	445.428	3.796	50	5		IHBARM
O=C([O-])c1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21	ZINC000018044881	526383716	/nfs/dbraw/zinc/38/37/16/526383716.db2.gz	OPDXPZMJGYBQNV-JQBYJRRVSA-N	-1	0	440.411	3.690	50	5		IHBARM
C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000009630784	569297430	/nfs/dbraw/zinc/29/74/30/569297430.db2.gz	MZFOAPQERVQLIZ-OAHLLOKOSA-N	-1	0	425.466	3.887	50	5		IHBARM
Cc1nn(CCc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002730925	569418884	/nfs/dbraw/zinc/41/88/84/569418884.db2.gz	VNUYXPMISGYNHQ-UHFFFAOYSA-N	-1	0	444.908	3.836	50	5		IHBARM
O=C(c1ccco1)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc21	ZINC000008768824	569474975	/nfs/dbraw/zinc/47/49/75/569474975.db2.gz	CHWAWFQKIKBUGK-UHFFFAOYSA-N	-1	0	427.438	3.582	50	5		IHBARM
Cc1ccc(C(=O)[O-])cc1N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	ZINC000001085694	568656987	/nfs/dbraw/zinc/65/69/87/568656987.db2.gz	KNWLZLMPOSAADI-UHFFFAOYSA-N	-1	0	430.372	3.633	50	5		IHBARM
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(-c2nc3ccccc3[nH]c2=O)c1	ZINC000170618174	569147039	/nfs/dbraw/zinc/14/70/39/569147039.db2.gz	ZWGFHJQKHYJPAU-UHFFFAOYSA-N	-1	0	436.449	3.608	50	5		IHBARM
O=C([O-])CCNC(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1	ZINC000009127970	569505303	/nfs/dbraw/zinc/50/53/03/569505303.db2.gz	CFLSIVFZIYUMNJ-UHFFFAOYSA-N	-1	0	433.420	3.774	50	5		IHBARM
O=C(NCc1n[n-]c(=S)n1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009369258	569526755	/nfs/dbraw/zinc/52/67/55/569526755.db2.gz	PRYUTOBBVZLKQV-UHFFFAOYSA-N	-1	0	434.275	3.531	50	5		IHBARM
COC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012858869	522868660	/nfs/dbraw/zinc/86/86/60/522868660.db2.gz	YDSZNGKUUCTFLZ-QGZVFWFLSA-N	-1	0	445.815	3.664	50	5		IHBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1	ZINC000012560686	526088213	/nfs/dbraw/zinc/08/82/13/526088213.db2.gz	FNSQNYMQOKETBX-UHFFFAOYSA-N	-1	0	426.376	3.909	50	5		IHBARM
O=C(NCc1ccco1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000012564975	526779450	/nfs/dbraw/zinc/77/94/50/526779450.db2.gz	NDTBWEFGOAWUEG-UHFFFAOYSA-N	-1	0	435.845	3.572	50	5		IHBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1NC[C@@H]1CCCO1	ZINC000023743938	557372593	/nfs/dbraw/zinc/37/25/93/557372593.db2.gz	DPDBALVSLIUWLD-LBPRGKRZSA-N	-1	0	443.428	3.588	50	5		IHBARM
O=C(c1ccc([N+](=O)[O-])cc1)c1c([O-])n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O	ZINC000100292385	557398389	/nfs/dbraw/zinc/39/83/89/557398389.db2.gz	WJYBUIXOYYFGRY-UHFFFAOYSA-N	-1	0	429.388	3.594	50	5		IHBARM
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000001024216	568653177	/nfs/dbraw/zinc/65/31/77/568653177.db2.gz	UBFYNLCGEXFZSJ-UHFFFAOYSA-N	-1	0	426.450	3.944	50	5		IHBARM
Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000016349767	568877664	/nfs/dbraw/zinc/87/76/64/568877664.db2.gz	INCBBBJWEURISN-UHFFFAOYSA-N	-1	0	447.494	3.505	50	5		IHBARM
O=C([O-])/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCC2)s1	ZINC000096792194	569402380	/nfs/dbraw/zinc/40/23/80/569402380.db2.gz	MOKFIOJEBACJGW-FMIVXFBMSA-N	-1	0	442.902	3.719	50	5		IHBARM
O=[N+]([O-])c1nn(CCc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)cc1Cl	ZINC000002730982	569418805	/nfs/dbraw/zinc/41/88/05/569418805.db2.gz	VFASDFBHHGODLN-UHFFFAOYSA-N	-1	0	430.881	3.527	50	5		IHBARM
Cc1c([N+](=O)[O-])c(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)nn1C	ZINC000002732679	569419520	/nfs/dbraw/zinc/41/95/20/569419520.db2.gz	RRNMBEAPZYWNJQ-UHFFFAOYSA-N	-1	0	430.881	3.797	50	5		IHBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000002756008	569583884	/nfs/dbraw/zinc/58/38/84/569583884.db2.gz	SWQHCHCPBGGICQ-UHFFFAOYSA-N	-1	0	438.874	3.758	50	5		IHBARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1	ZINC000009440191	132317845	/nfs/dbraw/zinc/31/78/45/132317845.db2.gz	DQCPOBZAHLBLMF-CQSZACIVSA-N	-1	0	447.513	3.583	50	5		IHBARM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000012624456	526235828	/nfs/dbraw/zinc/23/58/28/526235828.db2.gz	MKWHZGOFOLDQGA-ZDUSSCGKSA-N	-1	0	433.486	3.766	50	5		IHBARM
O=C([O-])c1cc(I)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000012428557	526347771	/nfs/dbraw/zinc/34/77/71/526347771.db2.gz	CQTDIYGGEYYEDL-UHFFFAOYSA-N	-1	0	446.584	3.803	50	5		IHBARM
COc1cc(C=Cc2nc3[n-]cnn3c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000034895113	555927929	/nfs/dbraw/zinc/92/79/29/555927929.db2.gz	PQFYVALYWUCIIV-XBXARRHUSA-N	-1	0	437.387	3.635	50	5		IHBARM
O=C([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1(c2cccc(Cl)c2)CC1	ZINC000225527706	557841240	/nfs/dbraw/zinc/84/12/40/557841240.db2.gz	PQOGQZPLQJUZBL-UHFFFAOYSA-N	-1	0	433.244	3.577	50	5		IHBARM
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000002023112	568930760	/nfs/dbraw/zinc/93/07/60/568930760.db2.gz	IIBQWIMIYHROFI-UHFFFAOYSA-N	-1	0	442.409	3.556	50	5		IHBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1c(F)cccc1Cl	ZINC000009234920	569294629	/nfs/dbraw/zinc/29/46/29/569294629.db2.gz	LIEMTRVBWUXCHV-FNORWQNLSA-N	-1	0	447.806	3.522	50	5		IHBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000009234960	569294711	/nfs/dbraw/zinc/29/47/11/569294711.db2.gz	JGDDRCWCRIXZJK-PKNBQFBNSA-N	-1	0	445.431	3.883	50	5		IHBARM
Cc1c(C(=O)[O-])cccc1N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	ZINC000009348464	569295702	/nfs/dbraw/zinc/29/57/02/569295702.db2.gz	RDJDGDFDCBIDET-UHFFFAOYSA-N	-1	0	430.372	3.633	50	5		IHBARM
O=[N+]([O-])c1nn(-c2cccc(C(F)(F)F)c2)[n+]([O-])c1[N-]c1ccc(Br)cc1	ZINC000020177089	569354573	/nfs/dbraw/zinc/35/45/73/569354573.db2.gz	LZNHKGFQTUYTGL-UHFFFAOYSA-N	-1	0	444.167	3.939	50	5		IHBARM
Cc1c([N+](=O)[O-])c(-c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)nn1C	ZINC000002731031	569418944	/nfs/dbraw/zinc/41/89/44/569418944.db2.gz	TUUGXIYJJOEBJU-UHFFFAOYSA-N	-1	0	448.871	3.936	50	5		IHBARM
CC(C)C(=O)Nc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000012401207	519526012	/nfs/dbraw/zinc/52/60/12/519526012.db2.gz	NEQHJCYWEBQXBB-QGZVFWFLSA-N	-1	0	433.848	3.789	50	5		IHBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000020534084	527256251	/nfs/dbraw/zinc/25/62/51/527256251.db2.gz	LBMMBDUSDXKORV-UHFFFAOYSA-N	-1	0	449.448	3.591	50	5		IHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1[N+](=O)[O-]	ZINC000014186301	557313731	/nfs/dbraw/zinc/31/37/31/557313731.db2.gz	YTRSYHGKFWQPPQ-UHFFFAOYSA-N	-1	0	439.493	3.677	50	5		IHBARM
CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2[O-])C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000102409911	557320947	/nfs/dbraw/zinc/32/09/47/557320947.db2.gz	MVIYWXBZNLSIPB-UHFFFAOYSA-N	-1	0	429.469	3.533	50	5		IHBARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1C	ZINC000001830076	568915667	/nfs/dbraw/zinc/91/56/67/568915667.db2.gz	JJQRCYUJSRWZSV-UHFFFAOYSA-N	-1	0	430.442	3.561	50	5		IHBARM
O=C([O-])c1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21	ZINC000013372519	569314481	/nfs/dbraw/zinc/31/44/81/569314481.db2.gz	OPDXPZMJGYBQNV-UJKMTWAASA-N	-1	0	440.411	3.690	50	5		IHBARM
Cc1cc2nc3c(=O)n(C4CCCCC4)c(=O)nc-3[n-]c2cc1NC(=O)c1ccccc1	ZINC000009599118	569551145	/nfs/dbraw/zinc/55/11/45/569551145.db2.gz	DTEXGXJOJVYHSG-UHFFFAOYSA-N	-1	0	429.480	3.699	50	5		IHBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000009714698	569562826	/nfs/dbraw/zinc/56/28/26/569562826.db2.gz	DRMOIEIFIVSFTF-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1	ZINC000009714673	132237153	/nfs/dbraw/zinc/23/71/53/132237153.db2.gz	FQLLUWGEMAQWLB-UHFFFAOYSA-N	-1	0	439.497	3.843	50	5		IHBARM
O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1	ZINC000008854834	132296227	/nfs/dbraw/zinc/29/62/27/132296227.db2.gz	JQFSFVJAWLRQIF-UHFFFAOYSA-N	-1	0	440.334	3.547	50	5		IHBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c1	ZINC000008971766	132299285	/nfs/dbraw/zinc/29/92/85/132299285.db2.gz	QKPDXHQQDFESEK-XXBNENTESA-N	-1	0	434.452	3.928	50	5		IHBARM
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1	ZINC000102734233	557372445	/nfs/dbraw/zinc/37/24/45/557372445.db2.gz	GFEQTTSYRQKZLP-YPAWHYETSA-N	-1	0	445.431	3.655	50	5		IHBARM
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OCc1c(F)cccc1Cl	ZINC000009234856	569294731	/nfs/dbraw/zinc/29/47/31/569294731.db2.gz	TYUISJRCWHEEKE-FNORWQNLSA-N	-1	0	447.806	3.522	50	5		IHBARM
O=C([O-])c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3C2=O)cc1	ZINC000003195349	569441556	/nfs/dbraw/zinc/44/15/56/569441556.db2.gz	NRTXKDBTMLYKTP-UHFFFAOYSA-N	-1	0	449.331	3.794	50	5		IHBARM
CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc2ccccc21	ZINC000058026883	569445460	/nfs/dbraw/zinc/44/54/60/569445460.db2.gz	GFVKRSXEIRIOMO-FQEVSTJZSA-N	-1	0	428.466	3.639	50	5		IHBARM
CCOC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000001037244	521486280	/nfs/dbraw/zinc/48/62/80/521486280.db2.gz	BXQPYUQZOFOYMP-UHFFFAOYSA-N	-1	0	433.486	3.563	50	5		IHBARM
CN(C)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000012605239	522232803	/nfs/dbraw/zinc/23/28/03/522232803.db2.gz	UWJNPZJAZSBVHT-UHFFFAOYSA-N	-1	0	440.481	3.714	50	5		IHBARM
Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1NC(=O)COc1cccc([N+](=O)[O-])c1	ZINC000001141842	524179375	/nfs/dbraw/zinc/17/93/75/524179375.db2.gz	ZKJZCLQHBLMFOZ-UHFFFAOYSA-N	-1	0	449.419	3.871	50	5		IHBARM
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(Br)c([O-])c(Br)c1	ZINC000000838279	557279661	/nfs/dbraw/zinc/27/96/61/557279661.db2.gz	WSIIPXJVSXETTI-UHFFFAOYSA-N	-1	0	442.019	3.626	50	5		IHBARM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1F	ZINC000103623908	557439888	/nfs/dbraw/zinc/43/98/88/557439888.db2.gz	NHZSZGDVBIEKJZ-TZIWHRDSSA-N	-1	0	430.395	3.516	50	5		IHBARM
COc1ccccc1[N-]c1nc([N-]c2ccccc2OC)c([N+](=O)[O-])c(N)c1[N+](=O)[O-]	ZINC000016663576	568931553	/nfs/dbraw/zinc/93/15/53/568931553.db2.gz	SFNBDZMXWRMGPC-UHFFFAOYSA-N	-1	0	426.389	3.985	50	5		IHBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1F	ZINC000079066457	569324292	/nfs/dbraw/zinc/32/42/92/569324292.db2.gz	CRACOADUGWUNAA-CHWSQXEVSA-N	-1	0	441.456	3.596	50	5		IHBARM
Cc1cc([N+](=O)[O-])nn1Cc1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1	ZINC000002731490	569419351	/nfs/dbraw/zinc/41/93/51/569419351.db2.gz	LHRPLDBYSLZDFB-UHFFFAOYSA-N	-1	0	448.871	3.780	50	5		IHBARM
COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000002952684	569432225	/nfs/dbraw/zinc/43/22/25/569432225.db2.gz	YKLQAEQZZJSZBC-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3cccc([N+](=O)[O-])c3)cc2)no1	ZINC000003613294	569455006	/nfs/dbraw/zinc/45/50/06/569455006.db2.gz	ZOBDGICCPFIHNG-UHFFFAOYSA-N	-1	0	433.471	3.501	50	5		IHBARM
COc1cc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc([N+](=O)[O-])c1[O-]	ZINC000069815459	569519845	/nfs/dbraw/zinc/51/98/45/569519845.db2.gz	OGAILCKEADTKPP-WDZFZDKYSA-N	-1	0	433.342	3.982	50	5		IHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1	ZINC000009714605	569562891	/nfs/dbraw/zinc/56/28/91/569562891.db2.gz	PTQIVKPOADYBMV-UHFFFAOYSA-N	-1	0	439.497	3.843	50	5		IHBARM
Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[n-]n(-c1ccc([N+](=O)[O-])cc1)c2=O	ZINC000020677499	525930519	/nfs/dbraw/zinc/93/05/19/525930519.db2.gz	NERYYUNKUGWEMF-UHFFFAOYSA-N	-1	0	429.436	3.785	50	5		IHBARM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000014371977	557336681	/nfs/dbraw/zinc/33/66/81/557336681.db2.gz	OVBIRSBQGFCEOG-UHFFFAOYSA-N	-1	0	435.465	3.909	50	5		IHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000016097090	568870361	/nfs/dbraw/zinc/87/03/61/568870361.db2.gz	LQMFJQHJDFIZJQ-UHFFFAOYSA-N	-1	0	447.494	3.505	50	5		IHBARM
O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCC(Oc2ccccc2)CC1	ZINC000253417981	569266508	/nfs/dbraw/zinc/26/65/08/569266508.db2.gz	JQCLATUFYGAURA-UHFFFAOYSA-N	-1	0	442.859	3.823	50	5		IHBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000002659530	569415800	/nfs/dbraw/zinc/41/58/00/569415800.db2.gz	KHOPUVIENJDIIY-UHFFFAOYSA-N	-1	0	441.465	3.585	50	5		IHBARM
COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000030529950	569443417	/nfs/dbraw/zinc/44/34/17/569443417.db2.gz	AXSDIQXLKPUKDE-UHFFFAOYSA-N	-1	0	434.392	3.748	50	5		IHBARM
CCOC(=O)CNc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]	ZINC000008782227	569475783	/nfs/dbraw/zinc/47/57/83/569475783.db2.gz	SVXMFLYGAAGNPP-UHFFFAOYSA-N	-1	0	448.284	3.677	50	5		IHBARM
Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1	ZINC000245327750	569503387	/nfs/dbraw/zinc/50/33/87/569503387.db2.gz	QCMIGTMWYPLPKM-BHIFYINESA-N	-1	0	429.432	3.954	50	5		IHBARM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000008854835	132296179	/nfs/dbraw/zinc/29/61/79/132296179.db2.gz	QFOCCWHTDQRFNG-UHFFFAOYSA-N	-1	0	440.334	3.547	50	5		IHBARM
CC(C)c1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1	ZINC000012781236	519890323	/nfs/dbraw/zinc/89/03/23/519890323.db2.gz	GZRTZUQWVHWJGR-UHFFFAOYSA-N	-1	0	447.498	3.623	50	5		IHBARM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1C	ZINC000012462241	525051316	/nfs/dbraw/zinc/05/13/16/525051316.db2.gz	HTOOEHWYLAQZLF-RQZCQDPDSA-N	-1	0	427.438	3.592	50	5		IHBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1Cl	ZINC000033248193	556889810	/nfs/dbraw/zinc/88/98/10/556889810.db2.gz	FSHFPFCUUWYLTP-VURMDHGXSA-N	-1	0	429.816	3.795	50	5		IHBARM
Cc1ccc(-n2c(O)c3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccccc4)c3c2O)cc1	ZINC000018213377	557252679	/nfs/dbraw/zinc/25/26/79/557252679.db2.gz	NAITYWUJYVPUTD-UNMCSNQZSA-N	-1	0	426.432	3.686	50	5		IHBARM
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000856219	557830252	/nfs/dbraw/zinc/83/02/52/557830252.db2.gz	AKPGLTWJADVPKE-QGZVFWFLSA-N	-1	0	446.257	3.900	50	5		IHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c(Br)c1	ZINC000084442256	568797852	/nfs/dbraw/zinc/79/78/52/568797852.db2.gz	HNOMLWCQTBIMRT-UHFFFAOYSA-N	-1	0	429.277	3.610	50	5		IHBARM
O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000036073947	568945730	/nfs/dbraw/zinc/94/57/30/568945730.db2.gz	HZLXCGJJQAOSHK-CHHVJCJISA-N	-1	0	433.829	3.629	50	5		IHBARM
Cc1cc([N+](=O)[O-])nn1Cc1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002731020	569419342	/nfs/dbraw/zinc/41/93/42/569419342.db2.gz	CMLTVTAEGQOTFD-UHFFFAOYSA-N	-1	0	430.881	3.641	50	5		IHBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000002736684	569583839	/nfs/dbraw/zinc/58/38/39/569583839.db2.gz	SQSLLXCHEQRUPN-UHFFFAOYSA-N	-1	0	438.874	3.758	50	5		IHBARM
COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1O	ZINC000020492303	521895982	/nfs/dbraw/zinc/89/59/82/521895982.db2.gz	CTHAOARUBGIMGD-UHFFFAOYSA-N	-1	0	436.380	3.621	50	5		IHBARM
Cc1cccc(-n2c3nc(-c4cccc([N+](=O)[O-])c4)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1	ZINC000020605722	524137769	/nfs/dbraw/zinc/13/77/69/524137769.db2.gz	XKSXCDSBDZGTCF-UHFFFAOYSA-N	-1	0	434.433	3.651	50	5		IHBARM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)C(C)(C)C)cc([N+](=O)[O-])c1C	ZINC000012536004	525422841	/nfs/dbraw/zinc/42/28/41/525422841.db2.gz	QRYUQSBIMRXJFR-UHFFFAOYSA-N	-1	0	448.497	3.784	50	5		IHBARM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-]	ZINC000012650984	526235964	/nfs/dbraw/zinc/23/59/64/526235964.db2.gz	ANYBJPKTDINVDI-UHFFFAOYSA-N	-1	0	433.486	3.910	50	5		IHBARM
C[C@H](NC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	ZINC000000819470	557262895	/nfs/dbraw/zinc/26/28/95/557262895.db2.gz	UUMVABGBGYHZKQ-XOBRGWDASA-N	-1	0	439.855	3.711	50	5		IHBARM
O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1	ZINC000009762180	562976664	/nfs/dbraw/zinc/97/66/64/562976664.db2.gz	DHMOUIZZGGLZCU-UHFFFAOYSA-N	-1	0	435.392	3.563	50	5		IHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)c(F)cc1F	ZINC000012942198	568870149	/nfs/dbraw/zinc/87/01/49/568870149.db2.gz	BTOPJNSZPXURRM-UHFFFAOYSA-N	-1	0	449.439	3.659	50	5		IHBARM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Cl)c1OCc1ccccc1	ZINC000009010319	569292969	/nfs/dbraw/zinc/29/29/69/569292969.db2.gz	FUMHEVPPJKXIRE-BQYQJAHWSA-N	-1	0	429.816	3.795	50	5		IHBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000009714697	569297874	/nfs/dbraw/zinc/29/78/74/569297874.db2.gz	KLEVGJHRDQCSOV-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C2=O)c1	ZINC000230005824	569417272	/nfs/dbraw/zinc/41/72/72/569417272.db2.gz	MKCXUVDFACBFDR-GBXCKJPGSA-N	-1	0	448.479	3.682	50	5		IHBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2I)cc1	ZINC000008648613	569469556	/nfs/dbraw/zinc/46/95/56/569469556.db2.gz	IIVDRKNPBAPOAU-UHFFFAOYSA-N	-1	0	438.630	3.654	50	5		IHBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000009714704	569562820	/nfs/dbraw/zinc/56/28/20/569562820.db2.gz	FIWMPBZIKZPLBK-UHFFFAOYSA-N	-1	0	445.428	3.796	50	5		IHBARM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000001884943	569583204	/nfs/dbraw/zinc/58/32/04/569583204.db2.gz	FTGMZDILPXDMNQ-RUDMXATFSA-N	-1	0	430.467	3.504	50	5		IHBARM
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000006229113	569583224	/nfs/dbraw/zinc/58/32/24/569583224.db2.gz	YJFQBRMPAWJHEY-BJMVGYQFSA-N	-1	0	430.467	3.504	50	5		IHBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c1	ZINC000008971764	132299256	/nfs/dbraw/zinc/29/92/56/132299256.db2.gz	QKPDXHQQDFESEK-AUSIDOKSSA-N	-1	0	434.452	3.928	50	5		IHBARM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000096422932	556813722	/nfs/dbraw/zinc/81/37/22/556813722.db2.gz	ZPQJOIKWXDIZMF-MOSHPQCFSA-N	-1	0	447.451	3.532	50	5		IHBARM
O=C(Nc1cccnc1)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000009096976	562967037	/nfs/dbraw/zinc/96/70/37/562967037.db2.gz	VPFCDUVXTZBVDX-UHFFFAOYSA-N	-1	0	432.845	3.696	50	5		IHBARM
O=C([O-])CSc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	ZINC000003888054	568740735	/nfs/dbraw/zinc/74/07/35/568740735.db2.gz	CGJGMHPJCLONAR-UHFFFAOYSA-N	-1	0	436.389	3.591	50	5		IHBARM
CCn1cc([N+](=O)[O-])c(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n1	ZINC000002731099	569419083	/nfs/dbraw/zinc/41/90/83/569419083.db2.gz	XMXDUIYNOSXKCZ-UHFFFAOYSA-N	-1	0	430.881	3.972	50	5		IHBARM
Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1	ZINC000002989760	569433806	/nfs/dbraw/zinc/43/38/06/569433806.db2.gz	VFGFTKWOEQJAER-UHFFFAOYSA-N	-1	0	447.494	3.505	50	5		IHBARM
O=c1[nH]c(C=Cc2ccc(OCc3ccccc3)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009355180	569525205	/nfs/dbraw/zinc/52/52/05/569525205.db2.gz	RHUPUGDGCMCQJK-CLFYSBASSA-N	-1	0	444.241	3.896	50	5		IHBARM
COc1cc2nc3c(Cl)cc(C(=O)c4cc(F)ccc4[O-])cn3c(=O)c2cc1OC	ZINC000009545024	569546106	/nfs/dbraw/zinc/54/61/06/569546106.db2.gz	CWBNTBRQBJRMBQ-UHFFFAOYSA-N	-1	0	428.803	3.594	50	5		IHBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000008994185	132300015	/nfs/dbraw/zinc/30/00/15/132300015.db2.gz	QHIVKBRVVQMSNR-DYESRHJHSA-N	-1	0	440.843	3.883	50	5		IHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3Cl)c2)c1	ZINC000008442284	556177434	/nfs/dbraw/zinc/17/74/34/556177434.db2.gz	BNCWOJJQGYHFCO-UHFFFAOYSA-N	-1	0	427.269	3.947	50	5		IHBARM
O=c1cc(-c2cccc([N+](=O)[O-])c2[O-])nc(-c2cccc(I)c2)o1	ZINC000013801821	556741802	/nfs/dbraw/zinc/74/18/02/556741802.db2.gz	MJJBTXSSDILLAS-UHFFFAOYSA-N	-1	0	436.161	3.587	50	5		IHBARM
COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000001112973	568659370	/nfs/dbraw/zinc/65/93/70/568659370.db2.gz	RSKCAROAAASNIX-SFHVURJKSA-N	-1	0	441.440	3.545	50	5		IHBARM
C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000006268958	568881132	/nfs/dbraw/zinc/88/11/32/568881132.db2.gz	WDTVKWWTTCGXOJ-HNNXBMFYSA-N	-1	0	425.466	3.887	50	5		IHBARM
COc1cccc([N-]c2nc(Nc3cccc(OC)c3)c([N+](=O)[O-])c(N)c2[N+](=O)[O-])c1	ZINC000016663603	568931543	/nfs/dbraw/zinc/93/15/43/568931543.db2.gz	OSVROKOZMPBPFS-UHFFFAOYSA-N	-1	0	426.389	3.985	50	5		IHBARM
O=C([O-])c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1[N+](=O)[O-]	ZINC000003661883	569455931	/nfs/dbraw/zinc/45/59/31/569455931.db2.gz	DOLJMYMGCAPLGE-UHFFFAOYSA-N	-1	0	449.331	3.794	50	5		IHBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1	ZINC000009714699	569562859	/nfs/dbraw/zinc/56/28/59/569562859.db2.gz	LZCPIUGXLYGPGA-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccc(F)cc1	ZINC000008974497	132299149	/nfs/dbraw/zinc/29/91/49/132299149.db2.gz	ZIEYAEJTWWFULE-GCJKJVERSA-N	-1	0	438.415	3.759	50	5		IHBARM
CC(C)C(=O)Nc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000012401205	519526729	/nfs/dbraw/zinc/52/67/29/519526729.db2.gz	NEQHJCYWEBQXBB-KRWDZBQOSA-N	-1	0	433.848	3.789	50	5		IHBARM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000012819606	525464049	/nfs/dbraw/zinc/46/40/49/525464049.db2.gz	SZRQFRPHBUCAKA-UHFFFAOYSA-N	-1	0	446.866	3.766	50	5		IHBARM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-]	ZINC000012561179	525595305	/nfs/dbraw/zinc/59/53/05/525595305.db2.gz	WBZWNIJTKIDNNL-UHFFFAOYSA-N	-1	0	426.376	3.909	50	5		IHBARM
Cc1nnc(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)[n-]c1=O	ZINC000013637685	556705128	/nfs/dbraw/zinc/70/51/28/556705128.db2.gz	CJRABECWDFUGGD-OAHLLOKOSA-N	-1	0	431.861	3.919	50	5		IHBARM
C[C@@H](NC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	ZINC000000819471	557262996	/nfs/dbraw/zinc/26/29/96/557262996.db2.gz	UUMVABGBGYHZKQ-VLIAUNLRSA-N	-1	0	439.855	3.711	50	5		IHBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC000014397081	557336929	/nfs/dbraw/zinc/33/69/29/557336929.db2.gz	JXVGWAAVGQUGKS-UHFFFAOYSA-N	-1	0	447.494	3.505	50	5		IHBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(I)cc2)c1	ZINC000006142763	568845417	/nfs/dbraw/zinc/84/54/17/568845417.db2.gz	WHNHUVWVVPENKB-UHFFFAOYSA-N	-1	0	438.630	3.654	50	5		IHBARM
C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000009630783	569297454	/nfs/dbraw/zinc/29/74/54/569297454.db2.gz	MZFOAPQERVQLIZ-HNNXBMFYSA-N	-1	0	425.466	3.887	50	5		IHBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000009971420	569298731	/nfs/dbraw/zinc/29/87/31/569298731.db2.gz	CEHBBISKWKWUDZ-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
Cc1c([N+](=O)[O-])cnn1CCc1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002730996	569419390	/nfs/dbraw/zinc/41/93/90/569419390.db2.gz	NFXBAEPWACBMCV-UHFFFAOYSA-N	-1	0	444.908	3.836	50	5		IHBARM
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008441399	569464428	/nfs/dbraw/zinc/46/44/28/569464428.db2.gz	AKPGLTWJADVPKE-KRWDZBQOSA-N	-1	0	446.257	3.900	50	5		IHBARM
Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000245325604	569503356	/nfs/dbraw/zinc/50/33/56/569503356.db2.gz	GHOVMVSZIPSWNX-BHIFYINESA-N	-1	0	429.432	3.954	50	5		IHBARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c1)C2=O	ZINC000020740500	526385150	/nfs/dbraw/zinc/38/51/50/526385150.db2.gz	RIEZXZMWZWGOHG-UHFFFAOYSA-N	-1	0	443.415	3.656	50	5		IHBARM
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c([O-])c([N+](=O)[O-])c1	ZINC000015008944	557242863	/nfs/dbraw/zinc/24/28/63/557242863.db2.gz	HUUZXGWGIKWGGM-RQZCQDPDSA-N	-1	0	441.465	3.901	50	5		IHBARM
O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102741834	557376317	/nfs/dbraw/zinc/37/63/17/557376317.db2.gz	TVNKGLFFGUBVSO-PCCBWWKXSA-N	-1	0	433.395	3.785	50	5		IHBARM
Cc1cc(Br)c([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100505066	557411358	/nfs/dbraw/zinc/41/13/58/557411358.db2.gz	FOWWOULNOBUXQC-UHFFFAOYSA-N	-1	0	439.138	3.762	50	5		IHBARM
O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000008816205	569290817	/nfs/dbraw/zinc/29/08/17/569290817.db2.gz	KMTSUFVGHSSFCI-UHFFFAOYSA-N	-1	0	442.409	3.556	50	5		IHBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1F	ZINC000079066464	569324287	/nfs/dbraw/zinc/32/42/87/569324287.db2.gz	CRACOADUGWUNAA-STQMWFEESA-N	-1	0	441.456	3.596	50	5		IHBARM
COC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012858877	522869072	/nfs/dbraw/zinc/86/90/72/522869072.db2.gz	YDSZNGKUUCTFLZ-KRWDZBQOSA-N	-1	0	445.815	3.664	50	5		IHBARM
C[C@@H](c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002731377	569419043	/nfs/dbraw/zinc/41/90/43/569419043.db2.gz	OKPDDASGVSSKJV-NSHDSACASA-N	-1	0	430.881	3.894	50	5		IHBARM
COc1cc(-c2nnc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)cc(OC)c1OC	ZINC000009274723	569518192	/nfs/dbraw/zinc/51/81/92/569518192.db2.gz	LUCKBPFRJRFCIA-UHFFFAOYSA-N	-1	0	434.792	3.576	50	5		IHBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccc(F)cc1	ZINC000008974496	132299263	/nfs/dbraw/zinc/29/92/63/132299263.db2.gz	ZIEYAEJTWWFULE-XMSQKQJNSA-N	-1	0	438.415	3.759	50	5		IHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(O)c2)cc1	ZINC000003104091	556523287	/nfs/dbraw/zinc/52/32/87/556523287.db2.gz	ZBJPCGHADYQLJZ-UHFFFAOYSA-N	-1	0	437.437	3.788	50	5		IHBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1NC[C@H]1CCCO1	ZINC000023743943	557372570	/nfs/dbraw/zinc/37/25/70/557372570.db2.gz	DPDBALVSLIUWLD-GFCCVEGCSA-N	-1	0	443.428	3.588	50	5		IHBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1	ZINC000008684038	562962075	/nfs/dbraw/zinc/96/20/75/562962075.db2.gz	MQSPQRUFWOKPAZ-UHFFFAOYSA-N	-1	0	441.465	3.965	50	5	aggregator	IHBARM
O=C([O-])COc1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1	ZINC000009309969	562969233	/nfs/dbraw/zinc/96/92/33/562969233.db2.gz	XVOFSSVDBVXAGX-UHFFFAOYSA-N	-1	0	434.360	3.651	50	5		IHBARM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001301747	568778959	/nfs/dbraw/zinc/77/89/59/568778959.db2.gz	SKGFYHBUPCKPHJ-MRXNPFEDSA-N	-1	0	447.241	3.820	50	5		IHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)no1	ZINC000002828490	569423142	/nfs/dbraw/zinc/42/31/42/569423142.db2.gz	ROSYYAAUDPWNDJ-UHFFFAOYSA-N	-1	0	436.833	3.598	50	5		IHBARM
O=C(c1ccccc1O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1	ZINC000059402465	569461067	/nfs/dbraw/zinc/46/10/67/569461067.db2.gz	WWXFZFBDZWUAIG-UHFFFAOYSA-N	-1	0	446.507	3.917	50	5		IHBARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C	ZINC000009315597	569522191	/nfs/dbraw/zinc/52/21/91/569522191.db2.gz	PTXOEICKBVYVPN-UHFFFAOYSA-N	-1	0	441.465	3.965	50	5		IHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1	ZINC000009492250	569540562	/nfs/dbraw/zinc/54/05/62/569540562.db2.gz	NXJCLGNTIXYZRZ-UHFFFAOYSA-N	-1	0	447.494	3.505	50	5		IHBARM
O=C(c1ccco1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000009569384	132234805	/nfs/dbraw/zinc/23/48/05/132234805.db2.gz	XTTYABRTGKCSLH-UHFFFAOYSA-N	-1	0	427.438	3.582	50	5		IHBARM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1	ZINC000012630253	525265559	/nfs/dbraw/zinc/26/55/59/525265559.db2.gz	PWLNURZZSIKGEE-UHFFFAOYSA-N	-1	0	447.494	3.543	50	5		IHBARM
O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000035267067	527139918	/nfs/dbraw/zinc/13/99/18/527139918.db2.gz	JYEKFFXJIUKYAR-UHFFFAOYSA-N	-1	0	426.454	3.513	50	5		IHBARM
CCc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)sc1C	ZINC000032936064	556678050	/nfs/dbraw/zinc/67/80/50/556678050.db2.gz	NTFZNHQROHHLAQ-UHFFFAOYSA-N	-1	0	446.510	3.975	50	5		IHBARM
O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])cc1	ZINC000013843248	556745085	/nfs/dbraw/zinc/74/50/85/556745085.db2.gz	LLPYGOJWFOCFQR-UHFFFAOYSA-N	-1	0	435.392	3.563	50	5		IHBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1	ZINC000009714640	562975919	/nfs/dbraw/zinc/97/59/19/562975919.db2.gz	GBDYHUYEHJPRCB-UHFFFAOYSA-N	-1	0	439.497	3.761	50	5		IHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)no1	ZINC000001779628	568906052	/nfs/dbraw/zinc/90/60/52/568906052.db2.gz	BDMQDAQUGREJLG-UHFFFAOYSA-N	-1	0	436.833	3.598	50	5		IHBARM
O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000006445893	568906909	/nfs/dbraw/zinc/90/69/09/568906909.db2.gz	MUEMQCYKSJVROT-UHFFFAOYSA-N	-1	0	431.448	3.922	50	5		IHBARM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000037342275	569160010	/nfs/dbraw/zinc/16/00/10/569160010.db2.gz	DBKCLJXIGNPYIN-CXUHLZMHSA-N	-1	0	445.409	3.844	50	5		IHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)c1	ZINC000017095259	569172407	/nfs/dbraw/zinc/17/24/07/569172407.db2.gz	KGFWLKOSLIVELA-UHFFFAOYSA-N	-1	0	427.269	3.947	50	5		IHBARM
O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	ZINC000009287734	569295107	/nfs/dbraw/zinc/29/51/07/569295107.db2.gz	ALILAWFAPCZQHJ-UHFFFAOYSA-N	-1	0	435.392	3.563	50	5		IHBARM
Cc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002813912	569422852	/nfs/dbraw/zinc/42/28/52/569422852.db2.gz	YBSVDIWATUGJCI-UHFFFAOYSA-N	-1	0	447.494	3.505	50	5		IHBARM
O=C([O-])CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(Br)cc1	ZINC000008660902	569469810	/nfs/dbraw/zinc/46/98/10/569469810.db2.gz	MQTVOMDRBQGWJG-QGZVFWFLSA-N	-1	0	446.257	3.900	50	5		IHBARM
Cc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@H]3C2=O)c1	ZINC000245326502	569503391	/nfs/dbraw/zinc/50/33/91/569503391.db2.gz	KVWRTGLPXOMTMP-YPAWHYETSA-N	-1	0	429.432	3.954	50	5		IHBARM
COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000245328149	569503409	/nfs/dbraw/zinc/50/34/09/569503409.db2.gz	SJZVHCSHLUOAHU-BHIFYINESA-N	-1	0	445.431	3.655	50	5		IHBARM
O=C([O-])c1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)cc1	ZINC000033148350	556877797	/nfs/dbraw/zinc/87/77/97/556877797.db2.gz	NGSCNXKNGBGOTK-XSFVSMFZSA-N	-1	0	431.404	3.703	50	5		IHBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014011041	557277286	/nfs/dbraw/zinc/27/72/86/557277286.db2.gz	BKXJOODUTLPFKU-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)no1	ZINC000001772150	568906045	/nfs/dbraw/zinc/90/60/45/568906045.db2.gz	GGMFTRNQVATVPY-UHFFFAOYSA-N	-1	0	436.833	3.598	50	5		IHBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-]	ZINC000009467416	569538376	/nfs/dbraw/zinc/53/83/76/569538376.db2.gz	JCXKXWZVAAUOBH-UHFFFAOYSA-N	-1	0	441.465	3.965	50	5		IHBARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(OC)ccc3nc4ccccc4nc32)cc1	ZINC000009716598	569563237	/nfs/dbraw/zinc/56/32/37/569563237.db2.gz	QEBXBMSWLMVSEM-UHFFFAOYSA-N	-1	0	437.477	3.769	50	5		IHBARM
C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000035986339	518412547	/nfs/dbraw/zinc/41/25/47/518412547.db2.gz	DYCVHPNIVNFPDL-HHQWOOOKSA-N	-1	0	429.454	3.684	50	5		IHBARM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	ZINC000013897074	556749409	/nfs/dbraw/zinc/74/94/09/556749409.db2.gz	CVGHJUYFIRTXJT-UHFFFAOYSA-N	-1	0	445.387	3.654	50	5		IHBARM
O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	ZINC000009287726	562968954	/nfs/dbraw/zinc/96/89/54/562968954.db2.gz	GIFYOCBETMJDJV-UHFFFAOYSA-N	-1	0	435.392	3.563	50	5		IHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(O)cc2)c1	ZINC000006142084	568845473	/nfs/dbraw/zinc/84/54/73/568845473.db2.gz	JQAQIFFKMBRNFG-UHFFFAOYSA-N	-1	0	437.437	3.788	50	5		IHBARM
C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000037019031	569139606	/nfs/dbraw/zinc/13/96/06/569139606.db2.gz	DYCVHPNIVNFPDL-YLGBQOPLSA-N	-1	0	429.454	3.684	50	5		IHBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1F	ZINC000079066442	569324274	/nfs/dbraw/zinc/32/42/74/569324274.db2.gz	CRACOADUGWUNAA-BETUJISGSA-N	-1	0	441.456	3.596	50	5		IHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)cc1	ZINC000002804511	569422311	/nfs/dbraw/zinc/42/23/11/569422311.db2.gz	BXHXDULWURARBM-UHFFFAOYSA-N	-1	0	427.269	3.947	50	5		IHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnc3n2CCCCC3)c1	ZINC000012734572	527405680	/nfs/dbraw/zinc/40/56/80/527405680.db2.gz	FEYFAEWSUZTHCU-UHFFFAOYSA-N	-1	0	431.449	3.520	50	5		IHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2)c1	ZINC000003569731	556817610	/nfs/dbraw/zinc/81/76/10/556817610.db2.gz	ATTCQRIJWDZNAO-UHFFFAOYSA-N	-1	0	441.465	3.965	50	5		IHBARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)c1	ZINC000001188442	568736417	/nfs/dbraw/zinc/73/64/17/568736417.db2.gz	CLFRROAJRVWTCT-DEDYPNTBSA-N	-1	0	431.404	3.703	50	5		IHBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000016310640	568876696	/nfs/dbraw/zinc/87/66/96/568876696.db2.gz	KHIHOZBCOXWYSJ-UHFFFAOYSA-N	-1	0	441.465	3.965	50	5		IHBARM
COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000089618767	569159969	/nfs/dbraw/zinc/15/99/69/569159969.db2.gz	MGNYIZQGXNUSCJ-UHFFFAOYSA-N	-1	0	441.465	3.965	50	5		IHBARM
CCn1c2ccc(Br)cc2nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000225533748	569403735	/nfs/dbraw/zinc/40/37/35/569403735.db2.gz	LLMFBOLYPQFGLC-UHFFFAOYSA-N	-1	0	439.291	3.836	50	5		IHBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000003569873	569454195	/nfs/dbraw/zinc/45/41/95/569454195.db2.gz	NPNGULVQGUDMDG-UHFFFAOYSA-N	-1	0	445.428	3.796	50	5		IHBARM
CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1	ZINC000040146703	569492304	/nfs/dbraw/zinc/49/23/04/569492304.db2.gz	MOWKQXFGUHJCCH-UHFFFAOYSA-N	-1	0	443.275	3.725	50	5		IHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1	ZINC000009714671	132237170	/nfs/dbraw/zinc/23/71/70/132237170.db2.gz	NZSPNSWVWLFETH-UHFFFAOYSA-N	-1	0	439.497	3.843	50	5		IHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1[N+](=O)[O-]	ZINC000012631098	525615305	/nfs/dbraw/zinc/61/53/05/525615305.db2.gz	HYLCWDNIZDQGRO-UHFFFAOYSA-N	-1	0	425.466	3.634	50	5		IHBARM
O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1	ZINC000012605595	527338232	/nfs/dbraw/zinc/33/82/32/527338232.db2.gz	VZWFXPUWVOXWAZ-UHFFFAOYSA-N	-1	0	430.339	3.739	50	5		IHBARM
O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000102741837	557376411	/nfs/dbraw/zinc/37/64/11/557376411.db2.gz	TVNKGLFFGUBVSO-QHAWAJNXSA-N	-1	0	433.395	3.785	50	5		IHBARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000000888072	557851625	/nfs/dbraw/zinc/85/16/25/557851625.db2.gz	AVCGXLUUTFKNMR-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1	ZINC000009234661	569294475	/nfs/dbraw/zinc/29/44/75/569294475.db2.gz	BWHHGGSGDPELIC-CMDGGOBGSA-N	-1	0	443.843	3.773	50	5		IHBARM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1	ZINC000020029626	569332439	/nfs/dbraw/zinc/33/24/39/569332439.db2.gz	CKGHQDIONKMHTB-MRXNPFEDSA-N	-1	0	447.241	3.820	50	5		IHBARM
COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000008862404	569480152	/nfs/dbraw/zinc/48/01/52/569480152.db2.gz	CVHWUXFFEKPCNY-UHFFFAOYSA-N	-1	0	441.465	3.965	50	5		IHBARM
O=c1[nH]c(C=Cc2ccc(OCc3ccccc3)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009295549	569520361	/nfs/dbraw/zinc/52/03/61/569520361.db2.gz	RHUPUGDGCMCQJK-VQHVLOKHSA-N	-1	0	444.241	3.896	50	5		IHBARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000009511935	569542888	/nfs/dbraw/zinc/54/28/88/569542888.db2.gz	JOHROTXBLQPDTG-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1	ZINC000009714601	569562847	/nfs/dbraw/zinc/56/28/47/569562847.db2.gz	WECQZBZNFGZRFK-UHFFFAOYSA-N	-1	0	439.497	3.843	50	5		IHBARM
O=C([O-])/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCC2)s1	ZINC000013113380	527543487	/nfs/dbraw/zinc/54/34/87/527543487.db2.gz	MOKFIOJEBACJGW-XFXZXTDPSA-N	-1	0	442.902	3.719	50	5		IHBARM
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Cl	ZINC000001193024	562920848	/nfs/dbraw/zinc/92/08/48/562920848.db2.gz	ZCGYUBHGMNZAFT-UHFFFAOYSA-N	-1	0	432.845	3.696	50	5		IHBARM
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Cl	ZINC000008927109	562966122	/nfs/dbraw/zinc/96/61/22/562966122.db2.gz	PEIVIQFUEZBURT-UHFFFAOYSA-N	-1	0	432.845	3.696	50	5		IHBARM
COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000001112971	568659321	/nfs/dbraw/zinc/65/93/21/568659321.db2.gz	RSKCAROAAASNIX-GOSISDBHSA-N	-1	0	441.440	3.545	50	5		IHBARM
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000016382750	568886166	/nfs/dbraw/zinc/88/61/66/568886166.db2.gz	PLEBKAZWOQKIPS-INIZCTEOSA-N	-1	0	436.346	3.586	50	5		IHBARM
C[C@H](c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002731378	569418995	/nfs/dbraw/zinc/41/89/95/569418995.db2.gz	OKPDDASGVSSKJV-LLVKDONJSA-N	-1	0	430.881	3.894	50	5		IHBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000230054232	569419521	/nfs/dbraw/zinc/41/95/21/569419521.db2.gz	QHIVKBRVVQMSNR-LAUBAEHRSA-N	-1	0	440.843	3.883	50	5		IHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1	ZINC000002804762	569422280	/nfs/dbraw/zinc/42/22/80/569422280.db2.gz	YQAJQJJJROOHMK-UHFFFAOYSA-N	-1	0	426.376	3.659	50	5		IHBARM
COc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000002827271	569423025	/nfs/dbraw/zinc/42/30/25/569423025.db2.gz	BCRKBDXYELLJDJ-UHFFFAOYSA-N	-1	0	444.252	3.735	50	5		IHBARM
COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000009546291	569546265	/nfs/dbraw/zinc/54/62/65/569546265.db2.gz	AQALZKGNKCXMOH-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-]	ZINC000012552597	525077485	/nfs/dbraw/zinc/07/74/85/525077485.db2.gz	YHJJKKJFVNRFFW-UHFFFAOYSA-N	-1	0	442.375	3.609	50	5		IHBARM
CC(C)Cn1nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc3ccccc3nc21	ZINC000016976166	556651818	/nfs/dbraw/zinc/65/18/18/556651818.db2.gz	UGYVOWHHUSKEFN-UHFFFAOYSA-N	-1	0	425.470	3.950	50	5		IHBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000023043318	556986357	/nfs/dbraw/zinc/98/63/57/556986357.db2.gz	JGSKFJMMPRKJIA-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(COc3cc([N+](=O)[O-])ccc3Cl)o2)N1	ZINC000013959734	557008623	/nfs/dbraw/zinc/00/86/23/557008623.db2.gz	HIGSUTUCQKIYNK-INIZCTEOSA-N	-1	0	447.753	3.893	50	5		IHBARM
COC(=O)c1cc([N+](=O)[O-])c([N-]c2ccc([N+](=O)[O-])cc2Br)c([N+](=O)[O-])c1	ZINC000033353057	557128352	/nfs/dbraw/zinc/12/83/52/557128352.db2.gz	JUUMQNXBAIGWCC-UHFFFAOYSA-N	-1	0	441.150	3.704	50	5		IHBARM
O=C([O-])c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1	ZINC000000811363	557251966	/nfs/dbraw/zinc/25/19/66/557251966.db2.gz	JNGBRYGJVZPDFI-XSFVSMFZSA-N	-1	0	431.404	3.703	50	5		IHBARM
C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000006269057	568881076	/nfs/dbraw/zinc/88/10/76/568881076.db2.gz	WDTVKWWTTCGXOJ-OAHLLOKOSA-N	-1	0	425.466	3.887	50	5		IHBARM
Cc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000009096312	569293626	/nfs/dbraw/zinc/29/36/26/569293626.db2.gz	FRDCNDPTQSLRIU-UHFFFAOYSA-N	-1	0	425.466	3.634	50	5		IHBARM
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccccc2)c1	ZINC000001197027	568736556	/nfs/dbraw/zinc/73/65/56/568736556.db2.gz	JUWKUKCVGVDZIW-UHFFFAOYSA-N	-1	0	446.506	3.845	50	5		IHBARM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)c1	ZINC000089404500	568922908	/nfs/dbraw/zinc/92/29/08/568922908.db2.gz	KIDVLGVQZFKSOB-UHFFFAOYSA-N	-1	0	449.666	3.598	50	5		IHBARM
O=[N+]([O-])c1cnn(CCc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c1	ZINC000002731316	569419344	/nfs/dbraw/zinc/41/93/44/569419344.db2.gz	PRIWYCMYASKJID-UHFFFAOYSA-N	-1	0	430.881	3.527	50	5		IHBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000230078184	569433361	/nfs/dbraw/zinc/43/33/61/569433361.db2.gz	ZIPJFMVKSGJOAC-LAUBAEHRSA-N	-1	0	440.843	3.883	50	5		IHBARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000009511938	569542877	/nfs/dbraw/zinc/54/28/77/569542877.db2.gz	HKEYLGLREALGQQ-UHFFFAOYSA-N	-1	0	427.438	3.657	50	5		IHBARM
Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1	ZINC000009546083	569546214	/nfs/dbraw/zinc/54/62/14/569546214.db2.gz	VIVJNIGGHGOZKS-UHFFFAOYSA-N	-1	0	443.481	3.878	50	5		IHBARM
Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1	ZINC000102734799	557372542	/nfs/dbraw/zinc/37/25/42/557372542.db2.gz	QCMIGTMWYPLPKM-YPAWHYETSA-N	-1	0	429.432	3.954	50	5		IHBARM
O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1	ZINC000009287729	562968965	/nfs/dbraw/zinc/96/89/65/562968965.db2.gz	OUEURLCXHDZUSM-UHFFFAOYSA-N	-1	0	435.392	3.563	50	5		IHBARM
CCOc1cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc(OCC)c1OCC	ZINC000037089067	569139987	/nfs/dbraw/zinc/13/99/87/569139987.db2.gz	FRNPVFUHPPVMOV-UHFFFAOYSA-N	-1	0	449.485	3.623	50	5		IHBARM
Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000328594261	569317644	/nfs/dbraw/zinc/31/76/44/569317644.db2.gz	KTKJNCUFTMJBLF-UHFFFAOYSA-N	-1	0	446.312	3.847	50	5		IHBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000030840482	569449424	/nfs/dbraw/zinc/44/94/24/569449424.db2.gz	JGDDRCWCRIXZJK-LUAWRHEFSA-N	-1	0	445.431	3.883	50	5		IHBARM