smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)c1	ZINC000009429275	132316916	/nfs/dbraw/zinc/31/69/16/132316916.db2.gz	MKCXUVDFACBFDR-YKSBVNFPSA-N	-1	0	448.479	3.478	50	5		IGBARM
COc1cc(C(CC(=O)[O-])c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000012418224	522179227	/nfs/dbraw/zinc/17/92/27/522179227.db2.gz	RLJRQLXQVUWUQJ-UHFFFAOYSA-N	-1	0	436.373	3.144	50	5		IGBARM
O=C(Nc1nnc(C2CC2)s1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012741951	527534905	/nfs/dbraw/zinc/53/49/05/527534905.db2.gz	ZYJDERNCPKKVRQ-UHFFFAOYSA-N	-1	0	445.482	3.377	50	5		IGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000001766768	562924554	/nfs/dbraw/zinc/92/45/54/562924554.db2.gz	RQUHRERZFZGIQO-UHFFFAOYSA-N	-1	0	433.833	3.091	50	5		IGBARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)c1C	ZINC000002751690	562930132	/nfs/dbraw/zinc/93/01/32/562930132.db2.gz	HEXUKBYPKYJRJI-UHFFFAOYSA-N	-1	0	430.442	3.182	50	5		IGBARM
CCCN(CCC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000001116332	568659544	/nfs/dbraw/zinc/65/95/44/568659544.db2.gz	CFRSYQJWTZESFG-UHFFFAOYSA-N	-1	0	441.531	3.206	50	5		IGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3ccc4nonc4c3[N+](=O)[O-])cc2)n1	ZINC000008817817	569476987	/nfs/dbraw/zinc/47/69/87/569476987.db2.gz	KAGWZJLAVCETBE-UHFFFAOYSA-N	-1	0	441.429	3.082	50	5		IGBARM
O=C([O-])CCc1nc2ccc(Br)cc2c2nc(=O)c(-c3ccc(F)cc3)nn12	ZINC000071924132	556340304	/nfs/dbraw/zinc/34/03/04/556340304.db2.gz	JIJFOOCEWHSNSG-UHFFFAOYSA-N	-1	0	443.232	3.224	50	5		IGBARM
CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000013305494	569312801	/nfs/dbraw/zinc/31/28/01/569312801.db2.gz	OGZZUZJQCUFIAQ-JJRVBVJISA-N	-1	0	443.403	3.493	50	5		IGBARM
O=C([O-])c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1O	ZINC000003146428	569440826	/nfs/dbraw/zinc/44/08/26/569440826.db2.gz	OQJXKWWOEIKACT-UHFFFAOYSA-N	-1	0	432.344	3.030	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)n1	ZINC000003991748	569457492	/nfs/dbraw/zinc/45/74/92/569457492.db2.gz	BGCZGDQTTXZWJT-UHFFFAOYSA-N	-1	0	427.442	3.055	50	5		IGBARM
O=C([O-])c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21	ZINC000004486594	556333950	/nfs/dbraw/zinc/33/39/50/556333950.db2.gz	XOUJQSVPKZBDHB-IYZJKTGWSA-N	-1	0	440.411	3.170	50	5		IGBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000060088652	556511743	/nfs/dbraw/zinc/51/17/43/556511743.db2.gz	PHCICBHXDXBFRM-UHFFFAOYSA-N	-1	0	428.426	3.052	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)n1	ZINC000006229112	568880548	/nfs/dbraw/zinc/88/05/48/568880548.db2.gz	AEYDYHKPOBIKGO-IZZDOVSWSA-N	-1	0	439.453	3.146	50	5		IGBARM
O=C([O-])[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1	ZINC000170672766	569195271	/nfs/dbraw/zinc/19/52/71/569195271.db2.gz	BDXLODMDQAHJON-AWEZNQCLSA-N	-1	0	425.363	3.400	50	5		IGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc3ccc(Br)cn3n2)c2ncccc12	ZINC000225693711	569407068	/nfs/dbraw/zinc/40/70/68/569407068.db2.gz	HDQGKJFCLJQTEX-UHFFFAOYSA-N	-1	0	448.258	3.354	50	5		IGBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)nc(C)n1	ZINC000002738641	569419237	/nfs/dbraw/zinc/41/92/37/569419237.db2.gz	DVWFROVHGFGHAL-UHFFFAOYSA-N	-1	0	441.469	3.363	50	5		IGBARM
COc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c(OC)c1	ZINC000003227466	569442182	/nfs/dbraw/zinc/44/21/82/569442182.db2.gz	CNIUFZBFZSKRDJ-UHFFFAOYSA-N	-1	0	431.386	3.291	50	5		IGBARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(Br)c1	ZINC000012914804	521528801	/nfs/dbraw/zinc/52/88/01/521528801.db2.gz	XZMNDXJZZSXDLD-UHFFFAOYSA-N	-1	0	447.238	3.474	50	5		IGBARM
Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1	ZINC000002978957	526078413	/nfs/dbraw/zinc/07/84/13/526078413.db2.gz	ALWSDRQHLOWUGO-ACSPXDACSA-N	-1	0	439.468	3.290	50	5		IGBARM
O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1	ZINC000000828935	557266684	/nfs/dbraw/zinc/26/66/84/557266684.db2.gz	LZVLATDDPLKDJU-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
CCCCn1c(=O)c(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)c([O-])[nH]c1=S	ZINC000101455832	557286113	/nfs/dbraw/zinc/28/61/13/557286113.db2.gz	QEYTYXXTLZUJKV-HNNXBMFYSA-N	-1	0	431.474	3.017	50	5		IGBARM
O=C([O-])c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)c1	ZINC000013154494	562985603	/nfs/dbraw/zinc/98/56/03/562985603.db2.gz	JHCCOKLWHJPOOK-UHFFFAOYSA-N	-1	0	441.421	3.346	50	5		IGBARM
O=C([O-])c1ccccc1NC(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	ZINC000008993699	569292688	/nfs/dbraw/zinc/29/26/88/569292688.db2.gz	XWNXMCLAUCXSRM-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	ZINC000002866469	569423582	/nfs/dbraw/zinc/42/35/82/569423582.db2.gz	GIMLLBSTAKCIQL-UHFFFAOYSA-N	-1	0	433.467	3.196	50	5		IGBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccccc3)c(Br)c2)[nH]1	ZINC000030840448	569449435	/nfs/dbraw/zinc/44/94/35/569449435.db2.gz	PGHZLOLSSYIAHA-VURMDHGXSA-N	-1	0	444.241	3.483	50	5		IGBARM
Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccncc4)[C@H]3C2=O)cc1	ZINC000245246102	569501041	/nfs/dbraw/zinc/50/10/41/569501041.db2.gz	IKDDKLDLWXZRND-NJDAHSKKSA-N	-1	0	430.420	3.349	50	5		IGBARM
CN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009808357	569569001	/nfs/dbraw/zinc/56/90/01/569569001.db2.gz	UNHKIQDXVIWFMP-MRXNPFEDSA-N	-1	0	440.485	3.001	50	5		IGBARM
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000012139915	523719939	/nfs/dbraw/zinc/71/99/39/523719939.db2.gz	VBOPKTYHIIMLBP-WOSRLPQWSA-N	-1	0	429.376	3.102	50	5		IGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1	ZINC000009714636	562975892	/nfs/dbraw/zinc/97/58/92/562975892.db2.gz	GMBXFNJPKBCDCC-UHFFFAOYSA-N	-1	0	425.470	3.453	50	5		IGBARM
O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	ZINC000015987845	563020678	/nfs/dbraw/zinc/02/06/78/563020678.db2.gz	CSEHHHAUVSWWAV-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
O=[N+]([O-])c1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC(O)CC2)cc1	ZINC000037363721	569181680	/nfs/dbraw/zinc/18/16/80/569181680.db2.gz	BPYVDZQVLNCZQD-MRXNPFEDSA-N	-1	0	441.469	3.211	50	5		IGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002659962	569583854	/nfs/dbraw/zinc/58/38/54/569583854.db2.gz	SJLGIMHFFMYILQ-UHFFFAOYSA-N	-1	0	449.426	3.013	50	5		IGBARM
Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[n-]n(-c1ccc([N+](=O)[O-])cc1)c2=O	ZINC000012390584	525932659	/nfs/dbraw/zinc/93/26/59/525932659.db2.gz	MXIADIHGKFMNHV-UHFFFAOYSA-N	-1	0	429.436	3.421	50	5		IGBARM
O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000012137374	526414709	/nfs/dbraw/zinc/41/47/09/526414709.db2.gz	GRWGSWVLTXSHAV-UHFFFAOYSA-N	-1	0	445.497	3.460	50	5		IGBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(Nc3ccc([N+](=O)[O-])c4nonc43)cc2)s1	ZINC000009010236	562966599	/nfs/dbraw/zinc/96/65/99/562966599.db2.gz	WJXBOIFGMCKVJZ-UHFFFAOYSA-N	-1	0	447.458	3.089	50	5		IGBARM
COc1ccc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2)nn1	ZINC000009715020	562975904	/nfs/dbraw/zinc/97/59/04/562975904.db2.gz	KMASFUNHMSGLDH-UHFFFAOYSA-N	-1	0	445.413	3.078	50	5		IGBARM
O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000001221359	568741755	/nfs/dbraw/zinc/74/17/55/568741755.db2.gz	YENHTYPOZRMSEV-IYZJKTGWSA-N	-1	0	440.411	3.230	50	5		IGBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)s1	ZINC000016448553	568903125	/nfs/dbraw/zinc/90/31/25/568903125.db2.gz	PBQIQWHJZKEOML-UHFFFAOYSA-N	-1	0	448.486	3.454	50	5		IGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Nc3ccccc3)o2)cc1Br	ZINC000240225379	569140999	/nfs/dbraw/zinc/14/09/99/569140999.db2.gz	DHNOBQFITNHYKX-UHFFFAOYSA-N	-1	0	440.235	3.285	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1	ZINC000002368447	569286307	/nfs/dbraw/zinc/28/63/07/569286307.db2.gz	FFGNQDCEVOTPSF-UHFFFAOYSA-N	-1	0	447.860	3.400	50	5		IGBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000003269167	569443449	/nfs/dbraw/zinc/44/34/49/569443449.db2.gz	FDQJVDJHVICZKS-UHFFFAOYSA-N	-1	0	446.462	3.497	50	5		IGBARM
COc1ccc(C([O-])=C(C(=O)N2CCC(C)CC2)n2cc(Cl)ccc2=O)cc1[N+](=O)[O-]	ZINC000009601545	569551596	/nfs/dbraw/zinc/55/15/96/569551596.db2.gz	LMLKHNVWHOUCKT-LJQANCHMSA-N	-1	0	447.875	3.101	50	5		IGBARM
Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000009707393	569561457	/nfs/dbraw/zinc/56/14/57/569561457.db2.gz	RUKFJLAWMDWYFZ-UHFFFAOYSA-N	-1	0	436.449	3.403	50	5		IGBARM
O=C([O-])c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1	ZINC000016247919	526390647	/nfs/dbraw/zinc/39/06/47/526390647.db2.gz	MJGGCGYBUPPFMU-CCQQUTMYSA-N	-1	0	440.411	3.170	50	5		IGBARM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000096422933	556813727	/nfs/dbraw/zinc/81/37/27/556813727.db2.gz	VYPAFOYOQBWLPI-ZDLGFXPLSA-N	-1	0	437.387	3.027	50	5		IGBARM
O=C([O-])c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000004005960	556818381	/nfs/dbraw/zinc/81/83/81/556818381.db2.gz	QHAOVPUWFQXRDO-UHFFFAOYSA-N	-1	0	441.421	3.346	50	5		IGBARM
Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c(=O)n1-c1ccccc1	ZINC000023143941	557025866	/nfs/dbraw/zinc/02/58/66/557025866.db2.gz	WNKLGOWKHXLFTC-UHFFFAOYSA-N	-1	0	436.449	3.403	50	5		IGBARM
COc1ccc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c2)nn1	ZINC000009715012	562975856	/nfs/dbraw/zinc/97/58/56/562975856.db2.gz	JLFFXSPEBJOSHX-UHFFFAOYSA-N	-1	0	445.413	3.078	50	5		IGBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2OS(=O)(=O)c2ccccc2)cc1	ZINC000005941817	568738926	/nfs/dbraw/zinc/73/89/26/568738926.db2.gz	QJUIBIVNWDISAH-UHFFFAOYSA-N	-1	0	448.478	3.472	50	5		IGBARM
O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000001221360	568741811	/nfs/dbraw/zinc/74/18/11/568741811.db2.gz	YENHTYPOZRMSEV-YRSZXAOTSA-N	-1	0	440.411	3.230	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1	ZINC000002370274	569288892	/nfs/dbraw/zinc/28/88/92/569288892.db2.gz	RGZYNMSKNULXHR-UHFFFAOYSA-N	-1	0	427.442	3.055	50	5		IGBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1Cl	ZINC000008445173	569464510	/nfs/dbraw/zinc/46/45/10/569464510.db2.gz	FSHFPFCUUWYLTP-SOFGYWHQSA-N	-1	0	429.816	3.383	50	5		IGBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1	ZINC000009562869	569547310	/nfs/dbraw/zinc/54/73/10/569547310.db2.gz	RKYBFUGMWIRXNF-UHFFFAOYSA-N	-1	0	446.462	3.497	50	5		IGBARM
COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC	ZINC000012418521	522134386	/nfs/dbraw/zinc/13/43/86/522134386.db2.gz	IHUXIFPXLCDRHE-AWEZNQCLSA-N	-1	0	438.820	3.220	50	5		IGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)c(Br)c1	ZINC000097379296	556143942	/nfs/dbraw/zinc/14/39/42/556143942.db2.gz	TYHGHNVLJOOUKD-UHFFFAOYSA-N	-1	0	425.220	3.208	50	5		IGBARM
Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)n(C)c1=O	ZINC000101494866	557288647	/nfs/dbraw/zinc/28/86/47/557288647.db2.gz	FTISLHYCKRWTHS-QGZVFWFLSA-N	-1	0	438.465	3.056	50	5		IGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1	ZINC000009714626	562975772	/nfs/dbraw/zinc/97/57/72/562975772.db2.gz	QFLWDYMRLXXURS-UHFFFAOYSA-N	-1	0	425.470	3.453	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)n1	ZINC000002312364	569272175	/nfs/dbraw/zinc/27/21/75/569272175.db2.gz	LTXXBLTZTFOMAX-UHFFFAOYSA-N	-1	0	427.442	3.055	50	5		IGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC000002990751	569434771	/nfs/dbraw/zinc/43/47/71/569434771.db2.gz	ZPCBGWIYNBZPSB-UHFFFAOYSA-N	-1	0	433.467	3.196	50	5		IGBARM
CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003672088	569456084	/nfs/dbraw/zinc/45/60/84/569456084.db2.gz	WNLAQWLQGDAFBH-PXAZEXFGSA-N	-1	0	435.414	3.482	50	5		IGBARM
COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	ZINC000004130715	569460336	/nfs/dbraw/zinc/46/03/36/569460336.db2.gz	RSYXAVWGPLQNAR-UHFFFAOYSA-N	-1	0	434.426	3.253	50	5		IGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002790633	569583882	/nfs/dbraw/zinc/58/38/82/569583882.db2.gz	NUWWWIZJFLMHMP-UHFFFAOYSA-N	-1	0	449.426	3.013	50	5		IGBARM
COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000012541172	523308719	/nfs/dbraw/zinc/30/87/19/523308719.db2.gz	HICJLEWPFQHSMX-UHFFFAOYSA-N	-1	0	425.426	3.024	50	5		IGBARM
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000003565437	556817743	/nfs/dbraw/zinc/81/77/43/556817743.db2.gz	LXTFFHUTAGDHLP-UHFFFAOYSA-N	-1	0	447.922	3.080	50	5		IGBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)s1	ZINC000002029756	562925589	/nfs/dbraw/zinc/92/55/89/562925589.db2.gz	RFTBPUSKXJQOCC-UHFFFAOYSA-N	-1	0	433.471	3.062	50	5		IGBARM
O=C([O-])c1ccc(NC(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1	ZINC000001234962	568758522	/nfs/dbraw/zinc/75/85/22/568758522.db2.gz	UYMYHEYFVDFECY-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)n1	ZINC000006142121	568845444	/nfs/dbraw/zinc/84/54/44/568845444.db2.gz	MVROGZGSQOFUFS-UHFFFAOYSA-N	-1	0	433.471	3.116	50	5		IGBARM
CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000013305483	569312781	/nfs/dbraw/zinc/31/27/81/569312781.db2.gz	MWGHXSNGAOJDSH-CKEIUWERSA-N	-1	0	443.403	3.493	50	5		IGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000002773618	569420781	/nfs/dbraw/zinc/42/07/81/569420781.db2.gz	JZAMGSJBFPHGCY-UHFFFAOYSA-N	-1	0	433.833	3.091	50	5		IGBARM
O=C([O-])c1cccc(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)c1	ZINC000003146598	569440829	/nfs/dbraw/zinc/44/08/29/569440829.db2.gz	ZCFMGCXPTOYCQQ-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000009762006	569566432	/nfs/dbraw/zinc/56/64/32/569566432.db2.gz	WXYYFTKILTXMQY-UHFFFAOYSA-N	-1	0	426.863	3.090	50	5		IGBARM
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)c2)on1	ZINC000020985137	521424986	/nfs/dbraw/zinc/42/49/86/521424986.db2.gz	IVFKNCQJOKTMRH-UHFFFAOYSA-N	-1	0	447.425	3.236	50	5		IGBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c1	ZINC000229901354	556406971	/nfs/dbraw/zinc/40/69/71/556406971.db2.gz	QKPDXHQQDFESEK-CVDCTZTESA-N	-1	0	434.452	3.088	50	5		IGBARM
Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000032895566	556515159	/nfs/dbraw/zinc/51/51/59/556515159.db2.gz	QZMWCRPMPGZYAC-UHFFFAOYSA-N	-1	0	444.469	3.359	50	5		IGBARM
O=C([O-])COc1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1	ZINC000013897122	556749026	/nfs/dbraw/zinc/74/90/26/556749026.db2.gz	NOUMKFXBYKRZKA-UHFFFAOYSA-N	-1	0	446.371	3.090	50	5		IGBARM
O=C([O-])c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21	ZINC000016267125	568875035	/nfs/dbraw/zinc/87/50/35/568875035.db2.gz	XOUJQSVPKZBDHB-YRSZXAOTSA-N	-1	0	440.411	3.170	50	5		IGBARM
CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000004162495	569460546	/nfs/dbraw/zinc/46/05/46/569460546.db2.gz	MDFXIAAFEUNZRD-IOASZLSFSA-N	-1	0	429.376	3.102	50	5		IGBARM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C4CCCCC4)C3=O)[C@H]2C1	ZINC000245328594	569503449	/nfs/dbraw/zinc/50/34/49/569503449.db2.gz	VNMMVXQCNDNNJB-FOZYCNAUSA-N	-1	0	440.500	3.358	50	5		IGBARM
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c2=O)cc1	ZINC000009518177	569543972	/nfs/dbraw/zinc/54/39/72/569543972.db2.gz	VDMWKEPHVYQCDK-UHFFFAOYSA-N	-1	0	441.469	3.204	50	5		IGBARM
COc1ccc(C([O-])=C(C(=O)N2CCC(C)CC2)n2cc(Cl)ccc2=O)cc1[N+](=O)[O-]	ZINC000009601547	569551586	/nfs/dbraw/zinc/55/15/86/569551586.db2.gz	LMLKHNVWHOUCKT-IBGZPJMESA-N	-1	0	447.875	3.101	50	5		IGBARM
CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000012139921	523720237	/nfs/dbraw/zinc/72/02/37/523720237.db2.gz	MDFXIAAFEUNZRD-XJKCOSOUSA-N	-1	0	429.376	3.102	50	5		IGBARM
CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000033773421	556632312	/nfs/dbraw/zinc/63/23/12/556632312.db2.gz	MWGHXSNGAOJDSH-VBQJREDUSA-N	-1	0	443.403	3.493	50	5		IGBARM
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)cc1[N+](=O)[O-]	ZINC000072313748	556694139	/nfs/dbraw/zinc/69/41/39/556694139.db2.gz	HVDPROKKLCXHBT-UHFFFAOYSA-N	-1	0	434.455	3.113	50	5		IGBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(Nc3ccc4nonc4c3[N+](=O)[O-])cc2)s1	ZINC000008816206	562964416	/nfs/dbraw/zinc/96/44/16/562964416.db2.gz	FOJWRYINWRLRHY-UHFFFAOYSA-N	-1	0	447.458	3.089	50	5		IGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1	ZINC000009714638	562975913	/nfs/dbraw/zinc/97/59/13/562975913.db2.gz	NIDJTLXHMGDLBE-UHFFFAOYSA-N	-1	0	425.470	3.453	50	5		IGBARM
CCCN(CCC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001117209	568659448	/nfs/dbraw/zinc/65/94/48/568659448.db2.gz	FGFIHNPOALXBGH-UHFFFAOYSA-N	-1	0	441.531	3.206	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)n1	ZINC000001779625	568906079	/nfs/dbraw/zinc/90/60/79/568906079.db2.gz	AZMAITOPJQJZDO-UHFFFAOYSA-N	-1	0	447.860	3.400	50	5		IGBARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)c1C	ZINC000001817578	568909746	/nfs/dbraw/zinc/90/97/46/568909746.db2.gz	XFLLUZDXOQIYGJ-UHFFFAOYSA-N	-1	0	446.441	3.018	50	5		IGBARM
O=C([O-])c1ccccc1NC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000016677498	568937255	/nfs/dbraw/zinc/93/72/55/568937255.db2.gz	VLUPUAKKLJALSM-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036129170	568956472	/nfs/dbraw/zinc/95/64/72/568956472.db2.gz	XHJDGTUDIJAKDT-NVNXTCNLSA-N	-1	0	447.400	3.123	50	5		IGBARM
CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003672091	569456075	/nfs/dbraw/zinc/45/60/75/569456075.db2.gz	WNLAQWLQGDAFBH-YVEFUNNKSA-N	-1	0	435.414	3.482	50	5		IGBARM
CCOc1ccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])cc(OCC)c3[O-])NC2=S)cc1	ZINC000104549775	557456533	/nfs/dbraw/zinc/45/65/33/557456533.db2.gz	MALKAAZDGQODCF-MHWRWJLKSA-N	-1	0	429.454	3.360	50	5		IGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1	ZINC000009288337	569295065	/nfs/dbraw/zinc/29/50/65/569295065.db2.gz	JLGKCUDUHLCPBD-UHFFFAOYSA-N	-1	0	439.515	3.007	50	5		IGBARM
O=C([O-])c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1	ZINC000003100798	569440130	/nfs/dbraw/zinc/44/01/30/569440130.db2.gz	IPEYYTVGQLLAGL-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000004009103	569458034	/nfs/dbraw/zinc/45/80/34/569458034.db2.gz	VBOPKTYHIIMLBP-IOASZLSFSA-N	-1	0	429.376	3.102	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000009354763	569525122	/nfs/dbraw/zinc/52/51/22/569525122.db2.gz	URGWDTGXDOXMOY-NYYWCZLTSA-N	-1	0	439.453	3.146	50	5		IGBARM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2C1	ZINC000009123004	132305035	/nfs/dbraw/zinc/30/50/35/132305035.db2.gz	DNKZQXNZKRSEHO-NTDBCUBYSA-N	-1	0	434.452	3.025	50	5		IGBARM
O=C([O-])c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21	ZINC000016267118	526396810	/nfs/dbraw/zinc/39/68/10/526396810.db2.gz	XOUJQSVPKZBDHB-HRZAVBMWSA-N	-1	0	440.411	3.170	50	5		IGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1	ZINC000009714635	562975862	/nfs/dbraw/zinc/97/58/62/562975862.db2.gz	FCGJYSVIULRVTI-UHFFFAOYSA-N	-1	0	425.470	3.453	50	5		IGBARM
O=C([O-])c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21	ZINC000016267122	568875097	/nfs/dbraw/zinc/87/50/97/568875097.db2.gz	XOUJQSVPKZBDHB-CCQQUTMYSA-N	-1	0	440.411	3.170	50	5		IGBARM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036386159	569091432	/nfs/dbraw/zinc/09/14/32/569091432.db2.gz	ZHNYUYOPWLJLBZ-SXGWCWSVSA-N	-1	0	443.437	3.292	50	5		IGBARM
O=C([O-])c1cc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)ccc1O	ZINC000002981398	569433714	/nfs/dbraw/zinc/43/37/14/569433714.db2.gz	NLTLNPYZHDWVTH-UHFFFAOYSA-N	-1	0	432.344	3.030	50	5		IGBARM
O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1cccc([N+](=O)[O-])c1	ZINC000009762004	569566452	/nfs/dbraw/zinc/56/64/52/569566452.db2.gz	DXRCWXZFAXKRRG-UHFFFAOYSA-N	-1	0	426.863	3.090	50	5		IGBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000009430439	132317071	/nfs/dbraw/zinc/31/70/71/132317071.db2.gz	ZIPJFMVKSGJOAC-UTKZUKDTSA-N	-1	0	440.843	3.043	50	5		IGBARM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1[O-]	ZINC000012561027	527340014	/nfs/dbraw/zinc/34/00/14/527340014.db2.gz	WZNPERVMXSWISU-UHFFFAOYSA-N	-1	0	428.348	3.306	50	5		IGBARM
CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2)C1=O	ZINC000096422948	556813740	/nfs/dbraw/zinc/81/37/40/556813740.db2.gz	DXLDKANAYPMDBW-UNOMPAQXSA-N	-1	0	433.424	3.141	50	5		IGBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)nc(C)n1	ZINC000001770345	562924620	/nfs/dbraw/zinc/92/46/20/562924620.db2.gz	UTTFFGLHWOZDSX-UHFFFAOYSA-N	-1	0	427.442	3.055	50	5		IGBARM
Cc1cc2nc3s/c(=C\c4cc(Br)cc([N+](=O)[O-])c4[O-])c(=O)n3c2cc1C	ZINC000016675971	568937264	/nfs/dbraw/zinc/93/72/64/568937264.db2.gz	FRGPQJJGHPQAJO-UUASQNMZSA-N	-1	0	446.282	3.450	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)n1	ZINC000009015557	569292960	/nfs/dbraw/zinc/29/29/60/569292960.db2.gz	FLVZTNAMLNMCIA-UHFFFAOYSA-N	-1	0	447.860	3.400	50	5		IGBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1	ZINC000019645801	569324825	/nfs/dbraw/zinc/32/48/25/569324825.db2.gz	WQDJHTXLCBVXMN-UHFFFAOYSA-N	-1	0	447.429	3.345	50	5		IGBARM
CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000002502276	569406112	/nfs/dbraw/zinc/40/61/12/569406112.db2.gz	MDFXIAAFEUNZRD-ZENOOKHLSA-N	-1	0	429.376	3.102	50	5		IGBARM
Cc1cc(I)ccc1NC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000003147704	569440840	/nfs/dbraw/zinc/44/08/40/569440840.db2.gz	GSGKRYSWEMUMBO-UHFFFAOYSA-N	-1	0	426.166	3.458	50	5		IGBARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2OC)cc1	ZINC000009539693	569545696	/nfs/dbraw/zinc/54/56/96/569545696.db2.gz	AXNVVNSDZCRPLS-UHFFFAOYSA-N	-1	0	447.425	3.258	50	5		IGBARM
COc1cc(C(=O)N[C@H](CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC	ZINC000012418524	522142994	/nfs/dbraw/zinc/14/29/94/522142994.db2.gz	IHUXIFPXLCDRHE-CQSZACIVSA-N	-1	0	438.820	3.220	50	5		IGBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c2cc([N+](=O)[O-])ccc21	ZINC000020558026	523400660	/nfs/dbraw/zinc/40/06/60/523400660.db2.gz	YLYSGXFKGVVKCB-UHFFFAOYSA-N	-1	0	437.861	3.485	50	5		IGBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c(C)c1	ZINC000229906005	556406920	/nfs/dbraw/zinc/40/69/20/556406920.db2.gz	FBUZACFTWAVIGW-GBXCKJPGSA-N	-1	0	448.479	3.396	50	5		IGBARM
O=C(c1cnn(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1cc(Cl)ccc1[O-]	ZINC000014197580	557316761	/nfs/dbraw/zinc/31/67/61/557316761.db2.gz	HVIRKBTXLVLZCA-UHFFFAOYSA-N	-1	0	442.236	3.272	50	5		IGBARM
O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000001221361	568741818	/nfs/dbraw/zinc/74/18/18/568741818.db2.gz	YENHTYPOZRMSEV-CCQQUTMYSA-N	-1	0	440.411	3.230	50	5		IGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000001748732	568904373	/nfs/dbraw/zinc/90/43/73/568904373.db2.gz	NYFITVVEDVQCQD-UHFFFAOYSA-N	-1	0	427.442	3.055	50	5		IGBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1F	ZINC000006600657	568935630	/nfs/dbraw/zinc/93/56/30/568935630.db2.gz	IXWXROPKLXCRBQ-VQHVLOKHSA-N	-1	0	427.388	3.259	50	5		IGBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1I	ZINC000170617417	569147373	/nfs/dbraw/zinc/14/73/73/569147373.db2.gz	MMHPOTBLCNDHFF-UHFFFAOYSA-N	-1	0	440.165	3.278	50	5		IGBARM
O=[N+]([O-])c1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC(O)CC2)cc1	ZINC000037363724	569181699	/nfs/dbraw/zinc/18/16/99/569181699.db2.gz	BPYVDZQVLNCZQD-INIZCTEOSA-N	-1	0	441.469	3.211	50	5		IGBARM
O=C([O-])CCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl	ZINC000002980988	569434008	/nfs/dbraw/zinc/43/40/08/569434008.db2.gz	MVFGPPNHDKXDKC-SFQUDFHCSA-N	-1	0	431.832	3.000	50	5		IGBARM
CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003672090	569456053	/nfs/dbraw/zinc/45/60/53/569456053.db2.gz	WNLAQWLQGDAFBH-SJCJKPOMSA-N	-1	0	435.414	3.482	50	5		IGBARM
Cc1ccc(I)cc1NC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000008398125	569463199	/nfs/dbraw/zinc/46/31/99/569463199.db2.gz	NXXPGEVDKXMIDF-UHFFFAOYSA-N	-1	0	426.166	3.458	50	5		IGBARM
CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000009090458	569501074	/nfs/dbraw/zinc/50/10/74/569501074.db2.gz	YGBSZBCWOIIVII-CPUCHLNUSA-N	-1	0	443.403	3.493	50	5		IGBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000009430435	132317094	/nfs/dbraw/zinc/31/70/94/132317094.db2.gz	ZIPJFMVKSGJOAC-DYESRHJHSA-N	-1	0	440.843	3.043	50	5		IGBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccn2)cc1	ZINC000012526026	526087000	/nfs/dbraw/zinc/08/70/00/526087000.db2.gz	UETUPLJDZNGWFH-UHFFFAOYSA-N	-1	0	426.454	3.029	50	5		IGBARM
O=C([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2	ZINC000089773082	569162455	/nfs/dbraw/zinc/16/24/55/569162455.db2.gz	DGEZALCCBGQHCG-UHFFFAOYSA-N	-1	0	443.319	3.379	50	5		IGBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000030840528	569449419	/nfs/dbraw/zinc/44/94/19/569449419.db2.gz	KCINRYSZUIFVEG-YWEYNIOJSA-N	-1	0	429.816	3.383	50	5		IGBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1F	ZINC000030840513	569449455	/nfs/dbraw/zinc/44/94/55/569449455.db2.gz	IXWXROPKLXCRBQ-CLFYSBASSA-N	-1	0	427.388	3.259	50	5		IGBARM
Cc1nccn1-c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cn1	ZINC000089735882	527377238	/nfs/dbraw/zinc/37/72/38/527377238.db2.gz	FNGMMHPDCQVXAP-UHFFFAOYSA-N	-1	0	438.263	3.047	50	5		IGBARM
Cc1ccc(-c2nn3c(CCC(=O)[O-])nc4ccc(Br)cc4c3nc2=O)cc1	ZINC000071924140	556340159	/nfs/dbraw/zinc/34/01/59/556340159.db2.gz	UVGDJJQRWMIUDN-UHFFFAOYSA-N	-1	0	439.269	3.393	50	5		IGBARM
COc1ccccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc([N+](=O)[O-])cc3)c-2c1=O	ZINC000100943219	557203107	/nfs/dbraw/zinc/20/31/07/557203107.db2.gz	DLMALLWDACOCFI-RBBKRZOGSA-N	-1	0	442.431	3.386	50	5		IGBARM
CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c([O-])[nH]c1=S	ZINC000101765869	557295527	/nfs/dbraw/zinc/29/55/27/557295527.db2.gz	BPQUPNVPVKEIRL-OAHLLOKOSA-N	-1	0	445.501	3.407	50	5		IGBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)s1	ZINC000001747055	562924558	/nfs/dbraw/zinc/92/45/58/562924558.db2.gz	QUWQKTVQYYQGTB-UHFFFAOYSA-N	-1	0	439.500	3.123	50	5		IGBARM
CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000015906645	568858281	/nfs/dbraw/zinc/85/82/81/568858281.db2.gz	YGBSZBCWOIIVII-JJRVBVJISA-N	-1	0	443.403	3.493	50	5		IGBARM
O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1	ZINC000016247920	568874890	/nfs/dbraw/zinc/87/48/90/568874890.db2.gz	MJGGCGYBUPPFMU-YRSZXAOTSA-N	-1	0	440.411	3.170	50	5		IGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000002074719	569171817	/nfs/dbraw/zinc/17/18/17/569171817.db2.gz	MSVHWCACAVGLMX-UHFFFAOYSA-N	-1	0	427.442	3.055	50	5		IGBARM
O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)cc1	ZINC000004113437	569459409	/nfs/dbraw/zinc/45/94/09/569459409.db2.gz	BSNCNYXSMRSBKP-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
Cc1cc(C(=O)Nc2ccc(I)cc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000013437688	555510740	/nfs/dbraw/zinc/51/07/40/555510740.db2.gz	YUOTWEHZWGUTCC-UHFFFAOYSA-N	-1	0	426.166	3.458	50	5		IGBARM
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000016383031	568886067	/nfs/dbraw/zinc/88/60/67/568886067.db2.gz	VEVHJLOBJUDEEQ-UHFFFAOYSA-N	-1	0	425.466	3.368	50	5		IGBARM
COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000016474186	568906511	/nfs/dbraw/zinc/90/65/11/568906511.db2.gz	KZDRHHCKIQXDCE-KRWDZBQOSA-N	-1	0	428.470	3.049	50	5		IGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2	ZINC000064952096	568997372	/nfs/dbraw/zinc/99/73/72/568997372.db2.gz	FHZYOJDJXNRUTM-UHFFFAOYSA-N	-1	0	437.499	3.253	50	5		IGBARM
COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000037342271	569160015	/nfs/dbraw/zinc/16/00/15/569160015.db2.gz	DBAOPGDKQJDBMT-OVCLIPMQSA-N	-1	0	431.382	3.454	50	5		IGBARM
CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000013305479	569312823	/nfs/dbraw/zinc/31/28/23/569312823.db2.gz	MWGHXSNGAOJDSH-JJRVBVJISA-N	-1	0	443.403	3.493	50	5		IGBARM
O=C([O-])CCCCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	ZINC000009065103	569499650	/nfs/dbraw/zinc/49/96/50/569499650.db2.gz	AVIHGLLYWABOFS-CYVLTUHYSA-N	-1	0	425.441	3.127	50	5		IGBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(N3CCOCC3)sc2c1	ZINC000020629236	526088415	/nfs/dbraw/zinc/08/84/15/526088415.db2.gz	CFPYWGSGWWASHE-UHFFFAOYSA-N	-1	0	434.499	3.150	50	5		IGBARM
O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000021216879	527351655	/nfs/dbraw/zinc/35/16/55/527351655.db2.gz	LKOFNYYULBFCTD-UHFFFAOYSA-N	-1	0	431.401	3.493	50	5		IGBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)nc(C)n1	ZINC000003277417	562933621	/nfs/dbraw/zinc/93/36/21/562933621.db2.gz	HEUPJLHGYWGTAY-UHFFFAOYSA-N	-1	0	433.471	3.116	50	5		IGBARM
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001072876	568654724	/nfs/dbraw/zinc/65/47/24/568654724.db2.gz	OWIXKSJSZUBLLB-UHFFFAOYSA-N	-1	0	425.466	3.368	50	5		IGBARM
O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000001221362	568741753	/nfs/dbraw/zinc/74/17/53/568741753.db2.gz	YENHTYPOZRMSEV-HRZAVBMWSA-N	-1	0	440.411	3.230	50	5		IGBARM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2C1	ZINC000016956648	569167213	/nfs/dbraw/zinc/16/72/13/569167213.db2.gz	DNKZQXNZKRSEHO-OTURYTIQSA-N	-1	0	434.452	3.230	50	5		IGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1	ZINC000009434430	569296171	/nfs/dbraw/zinc/29/61/71/569296171.db2.gz	MXOCOFJBJDPRGC-UHFFFAOYSA-N	-1	0	444.429	3.454	50	5		IGBARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1	ZINC000078902620	569320138	/nfs/dbraw/zinc/32/01/38/569320138.db2.gz	UEJRSWVXUCNPRW-UHFFFAOYSA-N	-1	0	429.248	3.335	50	5		IGBARM
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1CCc1ccccc1	ZINC000230037864	569418323	/nfs/dbraw/zinc/41/83/23/569418323.db2.gz	REDKVHYIYJYLFH-WMZHIEFXSA-N	-1	0	434.452	3.268	50	5		IGBARM
CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003672089	569456097	/nfs/dbraw/zinc/45/60/97/569456097.db2.gz	WNLAQWLQGDAFBH-SJKOYZFVSA-N	-1	0	435.414	3.482	50	5		IGBARM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020368308	525580856	/nfs/dbraw/zinc/58/08/56/525580856.db2.gz	XPCXRQNGFIWUFG-FQEVSTJZSA-N	-1	0	438.465	3.363	50	5		IGBARM
O=C([O-])c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1	ZINC000003995580	556818117	/nfs/dbraw/zinc/81/81/17/556818117.db2.gz	BKAKEBKEBJCSOP-UHFFFAOYSA-N	-1	0	441.421	3.346	50	5		IGBARM
COc1ccccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc([N+](=O)[O-])cc3)c-2c1=O	ZINC000100943222	557203430	/nfs/dbraw/zinc/20/34/30/557203430.db2.gz	DLMALLWDACOCFI-IFMALSPDSA-N	-1	0	442.431	3.386	50	5		IGBARM
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000013154030	562985556	/nfs/dbraw/zinc/98/55/56/562985556.db2.gz	HQNDPERTIHRBAF-GOSISDBHSA-N	-1	0	427.413	3.027	50	5		IGBARM
CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000015906646	568858347	/nfs/dbraw/zinc/85/83/47/568858347.db2.gz	YGBSZBCWOIIVII-CKEIUWERSA-N	-1	0	443.403	3.493	50	5		IGBARM
COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2	ZINC000064952052	568997265	/nfs/dbraw/zinc/99/72/65/568997265.db2.gz	MUAFSIBTKFBLPY-UHFFFAOYSA-N	-1	0	437.499	3.253	50	5		IGBARM
CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000042783159	569154309	/nfs/dbraw/zinc/15/43/09/569154309.db2.gz	JHWMQXSEWGOPNW-JQWIXIFHSA-N	-1	0	431.239	3.199	50	5		IGBARM
COc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccccc2[N+](=O)[O-])cc1OC	ZINC000027530999	569265545	/nfs/dbraw/zinc/26/55/45/569265545.db2.gz	COHLZZNYIDCXMD-UHFFFAOYSA-N	-1	0	446.419	3.373	50	5		IGBARM
COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1	ZINC000078902688	569320148	/nfs/dbraw/zinc/32/01/48/569320148.db2.gz	SWYMUFNFYTYJAP-UHFFFAOYSA-N	-1	0	444.263	3.125	50	5		IGBARM
C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000002891940	569424338	/nfs/dbraw/zinc/42/43/38/569424338.db2.gz	GAXKUUHNTKDJGS-QIQQCEGHSA-N	-1	0	439.468	3.253	50	5		IGBARM
O=C([O-])CCCCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000009045595	569498042	/nfs/dbraw/zinc/49/80/42/569498042.db2.gz	GETMQRWUSJLDSL-XDJHFCHBSA-N	-1	0	425.441	3.127	50	5		IGBARM
Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c3=O)cc1C	ZINC000010252073	569579846	/nfs/dbraw/zinc/57/98/46/569579846.db2.gz	RUCRYGQBOCBRLO-UHFFFAOYSA-N	-1	0	438.831	3.145	50	5		IGBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1ccc(F)cc1)C2=O	ZINC000013591418	535496075	/nfs/dbraw/zinc/49/60/75/535496075.db2.gz	GTAWYQXMOVFEOI-AVRDEDQJSA-N	-1	0	440.431	3.164	50	5		IGBARM
O=C([O-])CCc1nc2ccc(Br)cc2c2nc(=O)c(-c3ccccc3)nn12	ZINC000071924133	556340128	/nfs/dbraw/zinc/34/01/28/556340128.db2.gz	REOZMLFKGVXPDD-UHFFFAOYSA-N	-1	0	425.242	3.084	50	5		IGBARM
C[C@H](c1ccccc1)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	ZINC000229903605	556406683	/nfs/dbraw/zinc/40/66/83/556406683.db2.gz	RMCDXTYIXGQFFN-ZNSVGSLASA-N	-1	0	448.479	3.336	50	5		IGBARM
COc1ccccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc([N+](=O)[O-])cc3)c-2c1=O	ZINC000100943216	557203137	/nfs/dbraw/zinc/20/31/37/557203137.db2.gz	DLMALLWDACOCFI-IRLDBZIGSA-N	-1	0	442.431	3.386	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)n1	ZINC000002950493	562931109	/nfs/dbraw/zinc/93/11/09/562931109.db2.gz	KTOHTZWJQIMMPN-UHFFFAOYSA-N	-1	0	447.860	3.400	50	5		IGBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ncccc3O)cc2)cc1[N+](=O)[O-]	ZINC000036619910	569125791	/nfs/dbraw/zinc/12/57/91/569125791.db2.gz	PWBTYRSWNTWKGP-UHFFFAOYSA-N	-1	0	428.426	3.057	50	5		IGBARM
O=C([O-])[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1	ZINC000170672764	569195239	/nfs/dbraw/zinc/19/52/39/569195239.db2.gz	BDXLODMDQAHJON-CQSZACIVSA-N	-1	0	425.363	3.400	50	5		IGBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000009234594	569294495	/nfs/dbraw/zinc/29/44/95/569294495.db2.gz	PSFFETLGKAMQBE-WEVVVXLNSA-N	-1	0	427.388	3.259	50	5		IGBARM
COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2[O-])cc1Br	ZINC000009805660	569297993	/nfs/dbraw/zinc/29/79/93/569297993.db2.gz	QEWYOVOCJHXFKF-UHFFFAOYSA-N	-1	0	426.248	3.198	50	5		IGBARM
Cc1cc2nnc(Sc3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])n2c2ccccc12	ZINC000013036638	569307380	/nfs/dbraw/zinc/30/73/80/569307380.db2.gz	MCXJUMDETRSZFR-UHFFFAOYSA-N	-1	0	437.437	3.065	50	5		IGBARM
O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1	ZINC000078902652	569320097	/nfs/dbraw/zinc/32/00/97/569320097.db2.gz	RCQDQKNDOJQJFC-UHFFFAOYSA-N	-1	0	440.275	3.050	50	5		IGBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccncc2)cc1[N+](=O)[O-]	ZINC000040139099	569490832	/nfs/dbraw/zinc/49/08/32/569490832.db2.gz	PFLMWMYPYMXKEU-UHFFFAOYSA-N	-1	0	428.426	3.052	50	5		IGBARM
O=C(CSc1nnc(Cc2ccc(Cl)cc2)c(=O)[n-]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000012348475	527085274	/nfs/dbraw/zinc/08/52/74/527085274.db2.gz	ZTUSEFCUULOYMH-UHFFFAOYSA-N	-1	0	431.861	3.048	50	5		IGBARM
Cc1nn(-c2ccc(Cl)cc2)c2[nH]c3nc(=O)[n-]c(=O)c-3c(-c3ccc([N+](=O)[O-])cc3)c12	ZINC000072332963	556751493	/nfs/dbraw/zinc/75/14/93/556751493.db2.gz	JLIVQUJUIZLLDK-UHFFFAOYSA-N	-1	0	448.826	3.487	50	5		IGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)c(Cl)c3)n2)c1	ZINC000014251008	557329811	/nfs/dbraw/zinc/32/98/11/557329811.db2.gz	WVYVOHJQIRUBIV-UHFFFAOYSA-N	-1	0	428.257	3.342	50	5		IGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)c1	ZINC000009714625	562975766	/nfs/dbraw/zinc/97/57/66/562975766.db2.gz	AQJHBPCBXBIJCN-UHFFFAOYSA-N	-1	0	425.470	3.453	50	5		IGBARM
CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000009090460	569501024	/nfs/dbraw/zinc/50/10/24/569501024.db2.gz	YGBSZBCWOIIVII-VBQJREDUSA-N	-1	0	443.403	3.493	50	5		IGBARM
CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000012139919	523720304	/nfs/dbraw/zinc/72/03/04/523720304.db2.gz	MDFXIAAFEUNZRD-WOSRLPQWSA-N	-1	0	429.376	3.102	50	5		IGBARM
Cc1c(OCC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)ccc2c3ccccc3c(=O)oc12	ZINC000030822681	556506879	/nfs/dbraw/zinc/50/68/79/556506879.db2.gz	OCSAZPWLSIPMCZ-NRFANRHFSA-N	-1	0	433.416	3.281	50	5		IGBARM
Cc1c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002159944	562926096	/nfs/dbraw/zinc/92/60/96/562926096.db2.gz	VCXROLZIPAFETE-FQEVSTJZSA-N	-1	0	431.444	3.446	50	5		IGBARM
O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)c1	ZINC000004113440	562942116	/nfs/dbraw/zinc/94/21/16/562942116.db2.gz	YDRPTMITLOHSBP-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccccc3)c(Br)c2)[nH]1	ZINC000009234655	569294595	/nfs/dbraw/zinc/29/45/95/569294595.db2.gz	PGHZLOLSSYIAHA-SOFGYWHQSA-N	-1	0	444.241	3.483	50	5		IGBARM
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1[N+](=O)[O-]	ZINC000003306517	569445225	/nfs/dbraw/zinc/44/52/25/569445225.db2.gz	UAHDQUALKJTIPD-UHFFFAOYSA-N	-1	0	446.441	3.261	50	5		IGBARM
O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)c1	ZINC000004113438	569459497	/nfs/dbraw/zinc/45/94/97/569459497.db2.gz	ZRTRZZICHLQHEJ-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)c([O-])c([N+](=O)[O-])c2)N3)C1	ZINC000033890711	520970002	/nfs/dbraw/zinc/97/00/02/520970002.db2.gz	VCGRZUMRDRDWSA-MRXNPFEDSA-N	-1	0	448.457	3.314	50	5		IGBARM
Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000032895495	556515201	/nfs/dbraw/zinc/51/52/01/556515201.db2.gz	BACLNCYTYHOGFQ-UHFFFAOYSA-N	-1	0	433.486	3.466	50	5		IGBARM
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1[O-]	ZINC000016361320	568878704	/nfs/dbraw/zinc/87/87/04/568878704.db2.gz	BMADEUSFNLZGCW-MRXNPFEDSA-N	-1	0	432.820	3.229	50	5		IGBARM
CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000013305502	569312817	/nfs/dbraw/zinc/31/28/17/569312817.db2.gz	OGZZUZJQCUFIAQ-CKEIUWERSA-N	-1	0	443.403	3.493	50	5		IGBARM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1-c1ccc2c(c1)OCO2	ZINC000095466378	569370949	/nfs/dbraw/zinc/37/09/49/569370949.db2.gz	OXMGSERXFCKPKQ-UHFFFAOYSA-N	-1	0	436.833	3.476	50	5		IGBARM
O=[N+]([O-])c1cnn(Cc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c1	ZINC000002731344	569419397	/nfs/dbraw/zinc/41/93/97/569419397.db2.gz	AVDSNIQODCCSJS-UHFFFAOYSA-N	-1	0	434.844	3.472	50	5		IGBARM
C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000002891942	569424423	/nfs/dbraw/zinc/42/44/23/569424423.db2.gz	GAXKUUHNTKDJGS-RMENWYJGSA-N	-1	0	439.468	3.253	50	5		IGBARM
O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1	ZINC000009097220	569501538	/nfs/dbraw/zinc/50/15/38/569501538.db2.gz	MDXYOLTVBKGALG-UHFFFAOYSA-N	-1	0	445.482	3.377	50	5		IGBARM
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3cccc([N+](=O)[O-])c3)[n-]c2=O)cc1	ZINC000009518180	569543894	/nfs/dbraw/zinc/54/38/94/569543894.db2.gz	MZYXEOZLBFZINJ-UHFFFAOYSA-N	-1	0	441.469	3.204	50	5		IGBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)c1	ZINC000009429273	132316867	/nfs/dbraw/zinc/31/68/67/132316867.db2.gz	MKCXUVDFACBFDR-HYBUGGRVSA-N	-1	0	448.479	3.478	50	5		IGBARM
COC(=O)c1ccc2c(c1)nc1c(Cl)cc(C(=O)c3cc(F)ccc3[O-])cn1c2=O	ZINC000012697443	522186404	/nfs/dbraw/zinc/18/64/04/522186404.db2.gz	AGCUIIIROLZVCI-UHFFFAOYSA-N	-1	0	426.787	3.363	50	5		IGBARM
Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000012659218	525580257	/nfs/dbraw/zinc/58/02/57/525580257.db2.gz	DPEQFBVIKOUCFG-UHFFFAOYSA-N	-1	0	435.314	3.390	50	5		IGBARM
Cc1cccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(I)cc3)[n+]2[O-])c1	ZINC000016349914	556601981	/nfs/dbraw/zinc/60/19/81/556601981.db2.gz	RMZWETCJMVLJBG-UHFFFAOYSA-N	-1	0	437.197	3.071	50	5		IGBARM
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)c([O-])c([N+](=O)[O-])c2)N3)C1	ZINC000033890709	556721997	/nfs/dbraw/zinc/72/19/97/556721997.db2.gz	VCGRZUMRDRDWSA-INIZCTEOSA-N	-1	0	448.457	3.314	50	5		IGBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000009234638	569294511	/nfs/dbraw/zinc/29/45/11/569294511.db2.gz	KCINRYSZUIFVEG-XBXARRHUSA-N	-1	0	429.816	3.383	50	5		IGBARM
O=C([O-])c1cc(N2C(=O)c3ccc(C(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)ccc1O	ZINC000003146422	569440873	/nfs/dbraw/zinc/44/08/73/569440873.db2.gz	AYQRSQVWQKCNMO-UHFFFAOYSA-N	-1	0	432.344	3.030	50	5		IGBARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000003346605	569447151	/nfs/dbraw/zinc/44/71/51/569447151.db2.gz	RRQOGKVDHQRGLO-UHFFFAOYSA-N	-1	0	446.462	3.497	50	5		IGBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1[N+](=O)[O-]	ZINC000009356027	569525371	/nfs/dbraw/zinc/52/53/71/569525371.db2.gz	VXMGREOLKUJJMU-UHFFFAOYSA-N	-1	0	426.454	3.029	50	5		IGBARM
CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O	ZINC000096422947	556813666	/nfs/dbraw/zinc/81/36/66/556813666.db2.gz	HVWXDCVAUUQMOH-NDENLUEZSA-N	-1	0	447.451	3.450	50	5		IGBARM
O=C([O-])c1ccccc1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	ZINC000000707340	557140277	/nfs/dbraw/zinc/14/02/77/557140277.db2.gz	TZZIMTGTYOGXIP-UHFFFAOYSA-N	-1	0	431.360	3.346	50	5		IGBARM
CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c([O-])[nH]c1=S	ZINC000101455834	557286283	/nfs/dbraw/zinc/28/62/83/557286283.db2.gz	QEYTYXXTLZUJKV-OAHLLOKOSA-N	-1	0	431.474	3.017	50	5		IGBARM
CCCCn1c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)C2)c([O-])[nH]c1=S	ZINC000101456394	557287201	/nfs/dbraw/zinc/28/72/01/557287201.db2.gz	BHICUTPCROIUEU-HNNXBMFYSA-N	-1	0	431.474	3.017	50	5		IGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1	ZINC000002074718	562925685	/nfs/dbraw/zinc/92/56/85/562925685.db2.gz	AGHRYYKCIBSXOG-UHFFFAOYSA-N	-1	0	427.442	3.055	50	5		IGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1	ZINC000009714623	562975811	/nfs/dbraw/zinc/97/58/11/562975811.db2.gz	RTPYDJQLYKNQNH-UHFFFAOYSA-N	-1	0	425.470	3.453	50	5		IGBARM
O=C([O-])c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1	ZINC000016247922	568874976	/nfs/dbraw/zinc/87/49/76/568874976.db2.gz	MJGGCGYBUPPFMU-IYZJKTGWSA-N	-1	0	440.411	3.170	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000002312337	569272186	/nfs/dbraw/zinc/27/21/86/569272186.db2.gz	KWPZWTYFPWXERH-BJMVGYQFSA-N	-1	0	439.453	3.146	50	5		IGBARM
O=C([O-])CCCC(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1	ZINC000019630680	569324052	/nfs/dbraw/zinc/32/40/52/569324052.db2.gz	XKYZVOWOAWNBEY-UHFFFAOYSA-N	-1	0	439.877	3.002	50	5		IGBARM
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000002481070	569404954	/nfs/dbraw/zinc/40/49/54/569404954.db2.gz	VBOPKTYHIIMLBP-ZENOOKHLSA-N	-1	0	429.376	3.102	50	5		IGBARM
O=[N+]([O-])c1ccn(Cc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)n1	ZINC000002731042	569418827	/nfs/dbraw/zinc/41/88/27/569418827.db2.gz	RYPQBNREZPHHSQ-UHFFFAOYSA-N	-1	0	434.844	3.472	50	5		IGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)C2)c1	ZINC000009715841	569563160	/nfs/dbraw/zinc/56/31/60/569563160.db2.gz	SOFABPCHYLDTEM-CQSZACIVSA-N	-1	0	433.486	3.276	50	5		IGBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)s1	ZINC000001748753	568904389	/nfs/dbraw/zinc/90/43/89/568904389.db2.gz	NJVSQXJQMHECJN-UHFFFAOYSA-N	-1	0	433.471	3.062	50	5		IGBARM
O=C1NCCN1c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1	ZINC000328595917	569317869	/nfs/dbraw/zinc/31/78/69/569317869.db2.gz	KGWCANXXLPGFOJ-UHFFFAOYSA-N	-1	0	431.257	3.436	50	5		IGBARM
COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1noc(C)n1	ZINC000078808811	569319137	/nfs/dbraw/zinc/31/91/37/569319137.db2.gz	ZBUOFIQPLOCUGD-MRXNPFEDSA-N	-1	0	438.849	3.016	50	5		IGBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1ccc(F)cc1)C2=O	ZINC000013591420	132351277	/nfs/dbraw/zinc/35/12/77/132351277.db2.gz	GTAWYQXMOVFEOI-GCJKJVERSA-N	-1	0	440.431	3.164	50	5		IGBARM
CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCC(=O)[O-])cc1	ZINC000012381667	519014940	/nfs/dbraw/zinc/01/49/40/519014940.db2.gz	FOBCKHUBSQCUJZ-RGEXLXHISA-N	-1	0	439.468	3.254	50	5		IGBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1c1ccccc1	ZINC000247413038	557091628	/nfs/dbraw/zinc/09/16/28/557091628.db2.gz	PQZSVUDTJJTAAD-WMZHIEFXSA-N	-1	0	434.452	3.169	50	5		IGBARM
Cc1cc(S(=O)(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(Cl)cc1Cl	ZINC000001035969	562920127	/nfs/dbraw/zinc/92/01/27/562920127.db2.gz	WAVZGLHNBIGPRK-CQSZACIVSA-N	-1	0	433.269	3.184	50	5		IGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000001766770	562924551	/nfs/dbraw/zinc/92/45/51/562924551.db2.gz	AHQMGKKYIKRNKH-UHFFFAOYSA-N	-1	0	433.833	3.091	50	5		IGBARM
O=C(Cn1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c2ccccc21)Nc1ccc(F)cc1	ZINC000008741119	562963900	/nfs/dbraw/zinc/96/39/00/562963900.db2.gz	PSDSNDLFWBHJAH-BJMVGYQFSA-N	-1	0	449.398	3.287	50	5		IGBARM
Cc1cc(I)ccc1[N-]c1c([N+](=O)[O-])nn(-c2ccccc2)[n+]1[O-]	ZINC000016282768	568875273	/nfs/dbraw/zinc/87/52/73/568875273.db2.gz	DGYJHVVMYICDOO-UHFFFAOYSA-N	-1	0	437.197	3.071	50	5		IGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1	ZINC000002821388	569422982	/nfs/dbraw/zinc/42/29/82/569422982.db2.gz	KMNNEFWYXQWGPI-UHFFFAOYSA-N	-1	0	441.469	3.363	50	5		IGBARM
Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1	ZINC000002978959	569433348	/nfs/dbraw/zinc/43/33/48/569433348.db2.gz	ALWSDRQHLOWUGO-UMSHPIDHSA-N	-1	0	439.468	3.290	50	5		IGBARM
Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000009707392	569561478	/nfs/dbraw/zinc/56/14/78/569561478.db2.gz	CANDOUJXFGEDKO-UHFFFAOYSA-N	-1	0	436.449	3.403	50	5		IGBARM
Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c3=O)cc1C	ZINC000010252074	569579878	/nfs/dbraw/zinc/57/98/78/569579878.db2.gz	CRSRLFVREFIJHT-UHFFFAOYSA-N	-1	0	438.831	3.145	50	5		IGBARM
O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1	ZINC000016247917	526391200	/nfs/dbraw/zinc/39/12/00/526391200.db2.gz	MJGGCGYBUPPFMU-HRZAVBMWSA-N	-1	0	440.411	3.170	50	5		IGBARM
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000013154031	562985542	/nfs/dbraw/zinc/98/55/42/562985542.db2.gz	HQNDPERTIHRBAF-SFHVURJKSA-N	-1	0	427.413	3.027	50	5		IGBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)n1	ZINC000006156088	568848158	/nfs/dbraw/zinc/84/81/58/568848158.db2.gz	XTCFYUHKBHMFAG-XBXARRHUSA-N	-1	0	445.482	3.207	50	5		IGBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)s1	ZINC000002131812	569184917	/nfs/dbraw/zinc/18/49/17/569184917.db2.gz	JNSYJYGIAYLTMP-UHFFFAOYSA-N	-1	0	433.471	3.062	50	5		IGBARM
COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1noc(C)n1	ZINC000078808813	569319170	/nfs/dbraw/zinc/31/91/70/569319170.db2.gz	ZBUOFIQPLOCUGD-INIZCTEOSA-N	-1	0	438.849	3.016	50	5		IGBARM
CN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009808355	569569013	/nfs/dbraw/zinc/56/90/13/569569013.db2.gz	UNHKIQDXVIWFMP-INIZCTEOSA-N	-1	0	440.485	3.001	50	5		IGBARM
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000012139917	523722485	/nfs/dbraw/zinc/72/24/85/523722485.db2.gz	VBOPKTYHIIMLBP-XJKCOSOUSA-N	-1	0	429.376	3.102	50	5		IGBARM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020368310	525579657	/nfs/dbraw/zinc/57/96/57/525579657.db2.gz	XPCXRQNGFIWUFG-HXUWFJFHSA-N	-1	0	438.465	3.363	50	5		IGBARM
Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000012520871	527531561	/nfs/dbraw/zinc/53/15/61/527531561.db2.gz	ALZJFQNZSYIXEV-UHFFFAOYSA-N	-1	0	425.879	3.329	50	5		IGBARM
CCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000096422936	556813709	/nfs/dbraw/zinc/81/37/09/556813709.db2.gz	KJGFYMSVHWJEJK-UNOMPAQXSA-N	-1	0	433.424	3.141	50	5		IGBARM
COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2C1=O	ZINC000013957527	557007231	/nfs/dbraw/zinc/00/72/31/557007231.db2.gz	HWKMLFVGIQGGSG-UHFFFAOYSA-N	-1	0	433.376	3.362	50	5		IGBARM
CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccc([N+](=O)[O-])cc3)C2)c([O-])[nH]c1=S	ZINC000101765864	557295399	/nfs/dbraw/zinc/29/53/99/557295399.db2.gz	BPQUPNVPVKEIRL-HNNXBMFYSA-N	-1	0	445.501	3.407	50	5		IGBARM
Cc1cc(S(=O)(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(Cl)cc1Cl	ZINC000001035968	562920093	/nfs/dbraw/zinc/92/00/93/562920093.db2.gz	WAVZGLHNBIGPRK-AWEZNQCLSA-N	-1	0	433.269	3.184	50	5		IGBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nc(C)n1	ZINC000001770354	568906085	/nfs/dbraw/zinc/90/60/85/568906085.db2.gz	HJVUEIZYKKLWKN-UHFFFAOYSA-N	-1	0	427.442	3.055	50	5		IGBARM
O=C([O-])c1cc(NC(=O)CSc2n[nH]c(C=Cc3ccc(F)cc3)n2)cc([N+](=O)[O-])c1	ZINC000016474593	568906771	/nfs/dbraw/zinc/90/67/71/568906771.db2.gz	HYYQBYZAPRLMGR-ZZXKWVIFSA-N	-1	0	443.416	3.451	50	5		IGBARM
COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000016474188	568906922	/nfs/dbraw/zinc/90/69/22/568906922.db2.gz	KZDRHHCKIQXDCE-QGZVFWFLSA-N	-1	0	428.470	3.049	50	5		IGBARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)c1C	ZINC000001787732	568907126	/nfs/dbraw/zinc/90/71/26/568907126.db2.gz	JNFMQGYNKVNDAR-UHFFFAOYSA-N	-1	0	446.441	3.018	50	5		IGBARM
CC(C)(C)c1ccc(Cn2nnnc2[N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000068563088	569303819	/nfs/dbraw/zinc/30/38/19/569303819.db2.gz	NVRQJSVDRDNUHH-UHFFFAOYSA-N	-1	0	442.392	3.487	50	5		IGBARM
CCOc1ccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])cc(OCC)c3[O-])NC2=S)cc1	ZINC000002828349	569423084	/nfs/dbraw/zinc/42/30/84/569423084.db2.gz	MALKAAZDGQODCF-YBEGLDIGSA-N	-1	0	429.454	3.360	50	5		IGBARM
CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000009086866	569500652	/nfs/dbraw/zinc/50/06/52/569500652.db2.gz	MWGHXSNGAOJDSH-CPUCHLNUSA-N	-1	0	443.403	3.493	50	5		IGBARM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000013546496	556695835	/nfs/dbraw/zinc/69/58/35/556695835.db2.gz	ZHNYUYOPWLJLBZ-CXUHLZMHSA-N	-1	0	443.437	3.292	50	5		IGBARM
CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c([O-])[nH]c1=S	ZINC000101456397	557287262	/nfs/dbraw/zinc/28/72/62/557287262.db2.gz	BHICUTPCROIUEU-OAHLLOKOSA-N	-1	0	431.474	3.017	50	5		IGBARM
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1[O-]	ZINC000016361318	568878602	/nfs/dbraw/zinc/87/86/02/568878602.db2.gz	BMADEUSFNLZGCW-INIZCTEOSA-N	-1	0	432.820	3.229	50	5		IGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncn(Cc3cccc(C(F)(F)F)c3)n2)c1	ZINC000017095329	569172710	/nfs/dbraw/zinc/17/27/10/569172710.db2.gz	NHXLGHIHDBMFJK-UHFFFAOYSA-N	-1	0	427.364	3.054	50	5		IGBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)no1	ZINC000027520332	569218211	/nfs/dbraw/zinc/21/82/11/569218211.db2.gz	MPMUQPDJQXVUJH-WCIBSUBMSA-N	-1	0	428.426	3.344	50	5		IGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1	ZINC000010059729	569299148	/nfs/dbraw/zinc/29/91/48/569299148.db2.gz	KYUHMXKOSNOFGT-UHFFFAOYSA-N	-1	0	439.515	3.007	50	5		IGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1	ZINC000002644959	569414019	/nfs/dbraw/zinc/41/40/19/569414019.db2.gz	QRWGAGGESAJWON-UHFFFAOYSA-N	-1	0	431.392	3.251	50	5		IGBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1c1ccccc1	ZINC000230061614	569419816	/nfs/dbraw/zinc/41/98/16/569419816.db2.gz	PQZSVUDTJJTAAD-CVDCTZTESA-N	-1	0	434.452	3.169	50	5		IGBARM
O=C(Nc1nncs1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009136952	569507176	/nfs/dbraw/zinc/50/71/76/569507176.db2.gz	DBSPBSRTRBWGKV-UHFFFAOYSA-N	-1	0	439.862	3.153	50	5		IGBARM
COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000009233137	569513844	/nfs/dbraw/zinc/51/38/44/569513844.db2.gz	SYGCXLMFHKMQQO-RQZCQDPDSA-N	-1	0	444.421	3.303	50	5		IGBARM
Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009707395	569561439	/nfs/dbraw/zinc/56/14/39/569561439.db2.gz	DIEJOUXWMFTEBQ-UHFFFAOYSA-N	-1	0	436.449	3.403	50	5		IGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)C2)c1	ZINC000009716638	569563239	/nfs/dbraw/zinc/56/32/39/569563239.db2.gz	SOFABPCHYLDTEM-AWEZNQCLSA-N	-1	0	433.486	3.276	50	5		IGBARM
O=C([O-])CCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl	ZINC000015821746	556554006	/nfs/dbraw/zinc/55/40/06/556554006.db2.gz	MVFGPPNHDKXDKC-ATVHPVEESA-N	-1	0	431.832	3.000	50	5		IGBARM
COc1cc(-c2c3cnn(C)c3[nH]c3c2oc2cc(O)cc(=O)c23)ccc1OCC(=O)[O-]	ZINC000409415639	556641947	/nfs/dbraw/zinc/64/19/47/556641947.db2.gz	VDJVEQSPILLDKH-UHFFFAOYSA-N	-1	0	435.392	3.418	50	5		IGBARM
Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)n(C)c1=O	ZINC000101494865	557288795	/nfs/dbraw/zinc/28/87/95/557288795.db2.gz	FTISLHYCKRWTHS-KRWDZBQOSA-N	-1	0	438.465	3.056	50	5		IGBARM
O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000015093183	568644372	/nfs/dbraw/zinc/64/43/72/568644372.db2.gz	AHXDERCQUUISJC-UHFFFAOYSA-N	-1	0	446.510	3.299	50	5		IGBARM
COc1ccsc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(I)c1	ZINC000170617418	569147286	/nfs/dbraw/zinc/14/72/86/569147286.db2.gz	QDCOCMWJJQWDAL-UHFFFAOYSA-N	-1	0	440.240	3.070	50	5		IGBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1I	ZINC000225694558	569188635	/nfs/dbraw/zinc/18/86/35/569188635.db2.gz	NLWQGUQAJPVYRS-UHFFFAOYSA-N	-1	0	440.165	3.278	50	5		IGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1	ZINC000003569717	569454199	/nfs/dbraw/zinc/45/41/99/569454199.db2.gz	LWQWTALZJVOISH-UHFFFAOYSA-N	-1	0	441.465	3.334	50	5		IGBARM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C4CCCCC4)C3=O)[C@H]2C1	ZINC000245328596	569503463	/nfs/dbraw/zinc/50/34/63/569503463.db2.gz	VNMMVXQCNDNNJB-WNHYQHMGSA-N	-1	0	440.500	3.358	50	5		IGBARM
COc1cccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1OCC(=O)[O-]	ZINC000009233703	569513900	/nfs/dbraw/zinc/51/39/00/569513900.db2.gz	CMMCZUWOLYRHHN-CXUHLZMHSA-N	-1	0	444.421	3.303	50	5		IGBARM