smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)cc2)c1	ZINC000016050702	525471253	/nfs/dbraw/zinc/47/12/53/525471253.db2.gz	IKYUVLIICFFAHU-UHFFFAOYSA-N	-1	0	469.519	3.985	50	5		JHBARM
O=c1/c(=C/c2ccc([O-])c([N+](=O)[O-])c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1	ZINC000036144768	527431676	/nfs/dbraw/zinc/43/16/76/527431676.db2.gz	HSAIMDQWNORJNI-QCHPHUCNSA-N	-1	0	487.562	3.994	50	5		JHBARM
O=c1/c(=C\c2ccc([O-])c([N+](=O)[O-])c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1	ZINC000013895774	527433564	/nfs/dbraw/zinc/43/35/64/527433564.db2.gz	HSAIMDQWNORJNI-RQLGBQGVSA-N	-1	0	487.562	3.994	50	5		JHBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000000947843	553879868	/nfs/dbraw/zinc/87/98/68/553879868.db2.gz	WKHOVZKMJQYSHR-UHFFFAOYSA-N	-1	0	472.482	3.789	50	5		JHBARM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C	ZINC000002864316	554390510	/nfs/dbraw/zinc/39/05/10/554390510.db2.gz	FCCGCAMEACEBNN-UHFFFAOYSA-N	-1	0	461.521	3.813	50	5		JHBARM
NS(=O)(=O)c1ccc([N-]c2c(C(=O)Nc3ccc(Cl)cc3)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000008809823	554688936	/nfs/dbraw/zinc/68/89/36/554688936.db2.gz	RWUBWYRSXXAWKI-UHFFFAOYSA-N	-1	0	491.869	3.800	50	5		JHBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	ZINC000015722510	555957391	/nfs/dbraw/zinc/95/73/91/555957391.db2.gz	OGOJPAINFYFCSC-BQYQJAHWSA-N	-1	0	474.267	3.904	50	5		JHBARM
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1	ZINC000023157672	556025804	/nfs/dbraw/zinc/02/58/04/556025804.db2.gz	DIDMCHPOZRVTKC-LJQANCHMSA-N	-1	0	468.514	3.764	50	5		JHBARM
CCOc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)cc1	ZINC000245325581	570064313	/nfs/dbraw/zinc/06/43/13/570064313.db2.gz	FWTKOEFFKWYWBX-TUUZDCGNSA-N	-1	0	494.504	3.642	50	5		JHBARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)c1	ZINC000245328171	570065696	/nfs/dbraw/zinc/06/56/96/570065696.db2.gz	SQORGOSFASGLRC-WIISBVOASA-N	-1	0	478.505	3.860	50	5		JHBARM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c(OC)c1	ZINC000001131561	194039642	/nfs/dbraw/zinc/03/96/42/194039642.db2.gz	WRTIPZSVIHELLD-UHFFFAOYSA-N	-1	0	471.491	3.594	50	5		JHBARM
O=C([O-])c1cccc(NC(=S)N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1	ZINC000002682856	194163611	/nfs/dbraw/zinc/16/36/11/194163611.db2.gz	ROYRRLXVBMHJCO-HNNXBMFYSA-N	-1	0	491.740	3.706	50	5		JHBARM
O=C([O-])c1ccccc1NC(=S)N[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl	ZINC000008672739	194474359	/nfs/dbraw/zinc/47/43/59/194474359.db2.gz	JHVRYJCGKDVGAG-OAHLLOKOSA-N	-1	0	491.740	3.706	50	5		JHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1	ZINC000016384212	527394980	/nfs/dbraw/zinc/39/49/80/527394980.db2.gz	OJKCPXGJUGXFPJ-UHFFFAOYSA-N	-1	0	467.912	3.850	50	5		JHBARM
Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2[N+](=O)[O-])ccc1F	ZINC000009224179	554995581	/nfs/dbraw/zinc/99/55/81/554995581.db2.gz	CXUNFZQGGUNGSO-ZIAGYGMSSA-N	-1	0	485.559	3.510	50	5		JHBARM
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000009335497	555102982	/nfs/dbraw/zinc/10/29/82/555102982.db2.gz	UTIGAZVCMWPPHR-MRXNPFEDSA-N	-1	0	495.513	3.530	50	5		JHBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1ccc(Cl)cc1)C2=O	ZINC000009434011	555204688	/nfs/dbraw/zinc/20/46/88/555204688.db2.gz	OXRUBTNLKHVWQU-AVRDEDQJSA-N	-1	0	456.886	3.679	50	5		JHBARM
O=C([O-])c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)ccc1Cl	ZINC000009489297	555264094	/nfs/dbraw/zinc/26/40/94/555264094.db2.gz	CKQQDWOFFFHIDO-HRZAVBMWSA-N	-1	0	474.856	3.823	50	5		JHBARM
O=[N+]([O-])c1ccc(NNC(=S)NCc2ccco2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000009493040	555274124	/nfs/dbraw/zinc/27/41/24/555274124.db2.gz	AXPVWXFPDUWRNF-UHFFFAOYSA-N	-1	0	481.943	3.633	50	5		JHBARM
COc1cc(Br)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1OCc1ccccc1	ZINC000020036618	555610760	/nfs/dbraw/zinc/61/07/60/555610760.db2.gz	DJXAUZSBEAAWOP-BQYQJAHWSA-N	-1	0	474.267	3.904	50	5		JHBARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000022852310	555959441	/nfs/dbraw/zinc/95/94/41/555959441.db2.gz	GLXDREYUMNMMNU-QGZVFWFLSA-N	-1	0	498.521	3.528	50	5		JHBARM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cncn1	ZINC000062628397	569613942	/nfs/dbraw/zinc/61/39/42/569613942.db2.gz	FHALMDCWTWDSID-UHFFFAOYSA-N	-1	0	492.233	3.758	50	5		JHBARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000001145156	194047009	/nfs/dbraw/zinc/04/70/09/194047009.db2.gz	LOKSIZFSZZOETP-UHFFFAOYSA-N	-1	0	457.464	3.665	50	5		JHBARM
COc1ccccc1C(=O)N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000002954930	194179073	/nfs/dbraw/zinc/17/90/73/194179073.db2.gz	BLWAIBVHHQXVSO-XSFVSMFZSA-N	-1	0	461.430	3.711	50	5		JHBARM
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1c1ccccc1	ZINC000009187169	194583548	/nfs/dbraw/zinc/58/35/48/194583548.db2.gz	XLJRKLBIWWKJAI-OFVILXPXSA-N	-1	0	474.448	3.737	50	5		JHBARM
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1	ZINC000023157635	527205057	/nfs/dbraw/zinc/20/50/57/527205057.db2.gz	UNZZDEWXHALRJA-LJQANCHMSA-N	-1	0	450.524	3.625	50	5		JHBARM
CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(=O)[O-])c3ccccc32)c([N+](=O)[O-])c1	ZINC000006600700	554555427	/nfs/dbraw/zinc/55/54/27/554555427.db2.gz	BUEJTKOTHAXIKI-YKUCYRFJSA-N	-1	0	484.464	3.629	50	5		JHBARM
COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc21	ZINC000008871923	554767867	/nfs/dbraw/zinc/76/78/67/554767867.db2.gz	NCMRLNBRDPFBFY-UHFFFAOYSA-N	-1	0	468.871	3.907	50	5		JHBARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2Cl)cc1	ZINC000009086978	554889288	/nfs/dbraw/zinc/88/92/88/554889288.db2.gz	ADEKSKFDIWCGLY-UHFFFAOYSA-N	-1	0	451.844	3.903	50	5		JHBARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1	ZINC000013575834	555514688	/nfs/dbraw/zinc/51/46/88/555514688.db2.gz	JBEWDCPWCKBLIH-UYRXBGFRSA-N	-1	0	461.430	3.711	50	5		JHBARM
CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000014186303	555727599	/nfs/dbraw/zinc/72/75/99/555727599.db2.gz	OEEJMAFGZLMMAD-UHFFFAOYSA-N	-1	0	491.547	3.904	50	5		JHBARM
O=C([O-])c1ccccc1NC(=S)N[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000008672744	562949990	/nfs/dbraw/zinc/94/99/90/562949990.db2.gz	LHCKTMKYCCLGFF-OAHLLOKOSA-N	-1	0	491.740	3.706	50	5		JHBARM
CCc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)cc1	ZINC000245327722	570065313	/nfs/dbraw/zinc/06/53/13/570065313.db2.gz	PSGOFQVCFAYQCT-UWRRCVPVSA-N	-1	0	478.505	3.805	50	5		JHBARM
COc1ccccc1C(=O)N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000002955132	194179236	/nfs/dbraw/zinc/17/92/36/194179236.db2.gz	FXNASBHAAVUEDT-DEDYPNTBSA-N	-1	0	461.430	3.711	50	5		JHBARM
O=C([O-])c1cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc([N+](=O)[O-])c1	ZINC000018191219	526350455	/nfs/dbraw/zinc/35/04/55/526350455.db2.gz	YSTAJWAHKMYYBX-UHFFFAOYSA-N	-1	0	476.474	3.667	50	5		JHBARM
COC(=O)[C@@]([N-]c1nc2ccc([N+](=O)[O-])cc2s1)(NC(=O)c1ccc(F)cc1)C(F)(F)F	ZINC000002050348	554010836	/nfs/dbraw/zinc/01/08/36/554010836.db2.gz	BMYFLUKWOYNMQI-KRWDZBQOSA-N	-1	0	472.376	3.617	50	5		JHBARM
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)c([N+](=O)[O-])c2)C1	ZINC000008826160	554715485	/nfs/dbraw/zinc/71/54/85/554715485.db2.gz	CORDXFATDDVSOU-RYUDHWBXSA-N	-1	0	494.016	3.777	50	5		JHBARM
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1c1ccccc1	ZINC000009187845	554960418	/nfs/dbraw/zinc/96/04/18/554960418.db2.gz	XLJRKLBIWWKJAI-SQJMNOBHSA-N	-1	0	474.448	3.737	50	5		JHBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	ZINC000009714720	555444674	/nfs/dbraw/zinc/44/46/74/555444674.db2.gz	MARVOMBAIDGCFR-UHFFFAOYSA-N	-1	0	457.464	3.665	50	5		JHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)cc2)cc1[N+](=O)[O-]	ZINC000009977862	555580697	/nfs/dbraw/zinc/58/06/97/555580697.db2.gz	NSUPNQKWOYKCKH-UHFFFAOYSA-N	-1	0	481.534	3.952	50	5		JHBARM
CC(=O)Oc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1C(=O)[O-]	ZINC000059487140	569605386	/nfs/dbraw/zinc/60/53/86/569605386.db2.gz	VKIGNVXGHQZJJY-UHFFFAOYSA-N	-1	0	462.370	3.811	50	5		JHBARM
O=C(CCc1nnc2sc3c([O-])c4ccccc4c(=O)c-3nn12)Nc1ccc(Cl)cc1Cl	ZINC000198713241	569873907	/nfs/dbraw/zinc/87/39/07/569873907.db2.gz	LMXLEQZOXCWUJM-UHFFFAOYSA-N	-1	0	486.340	3.595	50	5		JHBARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c(C)c1	ZINC000229904137	570042127	/nfs/dbraw/zinc/04/21/27/570042127.db2.gz	MZWGTVWFVAWHQR-NBGIEHNGSA-N	-1	0	462.506	3.704	50	5		JHBARM
O=C([O-])c1cccc(NC(=S)N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1	ZINC000002905377	194168217	/nfs/dbraw/zinc/16/82/17/194168217.db2.gz	GPWHVVCHKQBJTJ-HNNXBMFYSA-N	-1	0	491.740	3.706	50	5		JHBARM
CCCCN(CCCC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002830857	554368174	/nfs/dbraw/zinc/36/81/74/554368174.db2.gz	UIWDKVXMHKGNAM-UHFFFAOYSA-N	-1	0	469.585	3.987	50	5		JHBARM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1COc2ccccc2O1	ZINC000009540617	555333663	/nfs/dbraw/zinc/33/36/63/555333663.db2.gz	OYSJTKVIFXLOOV-MRXNPFEDSA-N	-1	0	471.491	3.656	50	5		JHBARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2OC)cc1	ZINC000009662887	555370091	/nfs/dbraw/zinc/37/00/91/555370091.db2.gz	DYOXCKGIGMXWNR-UHFFFAOYSA-N	-1	0	463.493	3.727	50	5		JHBARM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1	ZINC000023157663	556025776	/nfs/dbraw/zinc/02/57/76/556025776.db2.gz	RNZHSBDHUKQEMZ-IBGZPJMESA-N	-1	0	468.514	3.764	50	5		JHBARM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)C(=C([O-])c1ccccc1O)[C@H]1OC(=O)c2ccccc21	ZINC000100742318	569768491	/nfs/dbraw/zinc/76/84/91/569768491.db2.gz	XMMLKCLZJTUYAI-UGKGYDQZSA-N	-1	0	494.843	3.872	50	5		JHBARM
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)[C@H]1c1ccccc1	ZINC000102782435	569823813	/nfs/dbraw/zinc/82/38/13/569823813.db2.gz	XLJRKLBIWWKJAI-PXDATVDWSA-N	-1	0	474.448	3.737	50	5		JHBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C2=O)c(C)c1	ZINC000230025513	570043783	/nfs/dbraw/zinc/04/37/83/570043783.db2.gz	QQAAUDGWJCCDAB-SQJMNOBHSA-N	-1	0	462.506	3.991	50	5		JHBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)c(C)c1	ZINC000245326516	570064725	/nfs/dbraw/zinc/06/47/25/570064725.db2.gz	LCICRFYDKGVTOL-WIISBVOASA-N	-1	0	478.505	3.860	50	5		JHBARM
C[C@]12O[C@H](C[C@]1(O)C(=O)[O-])n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	ZINC000003872986	194365745	/nfs/dbraw/zinc/36/57/45/194365745.db2.gz	AMSOPBXQXSAAAC-PLZPTFKGSA-N	-1	0	453.454	3.567	50	5	in-vitro	JHBARM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000009295948	520634224	/nfs/dbraw/zinc/63/42/24/520634224.db2.gz	WKAZWGCXKHLIBE-SXGWCWSVSA-N	-1	0	461.427	3.513	50	5		JHBARM
CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1	ZINC000006600697	521039825	/nfs/dbraw/zinc/03/98/25/521039825.db2.gz	BUEJTKOTHAXIKI-KWMZMRFFSA-N	-1	0	484.464	3.629	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000012523921	525470675	/nfs/dbraw/zinc/47/06/75/525470675.db2.gz	FUDJTQCDFRGNPB-UHFFFAOYSA-N	-1	0	496.461	3.999	50	5		JHBARM
Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000009097260	554896009	/nfs/dbraw/zinc/89/60/09/554896009.db2.gz	XXLNGMWIRZODCG-UHFFFAOYSA-N	-1	0	491.323	3.993	50	5		JHBARM
COCCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013268520	555370728	/nfs/dbraw/zinc/37/07/28/555370728.db2.gz	ONGLCWDSEXIEAX-IBGZPJMESA-N	-1	0	489.868	3.681	50	5		JHBARM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000014186294	555727638	/nfs/dbraw/zinc/72/76/38/555727638.db2.gz	SHDMBAUTSPQSBH-UHFFFAOYSA-N	-1	0	461.521	3.813	50	5		JHBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000015391763	555903582	/nfs/dbraw/zinc/90/35/82/555903582.db2.gz	DZFVIHRBZANHQO-OAQYLSRUSA-N	-1	0	478.578	3.874	50	5		JHBARM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2ccccc2n1	ZINC000025347536	556210157	/nfs/dbraw/zinc/21/01/57/556210157.db2.gz	RSTMGKQYWWIOBA-UHFFFAOYSA-N	-1	0	453.480	3.664	50	5		JHBARM
COc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]2OC(=O)c3ccccc32)c([N+](=O)[O-])c1	ZINC000100721827	569767732	/nfs/dbraw/zinc/76/77/32/569767732.db2.gz	CWRYDEDGPFDHLH-REWPJTCUSA-N	-1	0	474.425	3.522	50	5		JHBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)s1	ZINC000006023340	194410649	/nfs/dbraw/zinc/41/06/49/194410649.db2.gz	NBTBFARDHJMNCT-WEVVVXLNSA-N	-1	0	465.538	3.523	50	5		JHBARM
COc1cc([N+](=O)[O-])ccc1NC(=S)N[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000016345823	522981497	/nfs/dbraw/zinc/98/14/97/522981497.db2.gz	FOHJFVNHMKBGSJ-UHFFFAOYSA-N	-1	0	485.758	3.744	50	5		JHBARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1C	ZINC000020343137	526641409	/nfs/dbraw/zinc/64/14/09/526641409.db2.gz	KBAZAYLTDRLNSJ-UHFFFAOYSA-N	-1	0	450.860	3.906	50	5		JHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1	ZINC000002864335	554390489	/nfs/dbraw/zinc/39/04/89/554390489.db2.gz	FYWZZOVHXRUXAU-UHFFFAOYSA-N	-1	0	467.912	3.850	50	5		JHBARM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c(C)c1	ZINC000009246600	555022469	/nfs/dbraw/zinc/02/24/69/555022469.db2.gz	HHWNWIMDYVKDGT-UHFFFAOYSA-N	-1	0	461.521	3.813	50	5		JHBARM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000009252825	555027979	/nfs/dbraw/zinc/02/79/79/555027979.db2.gz	SGHRLOKZQMRVFJ-XXBNENTESA-N	-1	0	484.965	3.988	50	5		JHBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1ccc(Cl)cc1)C2=O	ZINC000009434012	555204685	/nfs/dbraw/zinc/20/46/85/555204685.db2.gz	OXRUBTNLKHVWQU-XMSQKQJNSA-N	-1	0	456.886	3.679	50	5		JHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1	ZINC000009569305	555366546	/nfs/dbraw/zinc/36/65/46/555366546.db2.gz	FWFMLDUGGHHSLL-UHFFFAOYSA-N	-1	0	491.522	3.676	50	5		JHBARM
COC(=O)C1=C(C)N(c2ccc(N(C)C)cc2)C(C)=C(C(=O)OC)C1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000013306715	555375403	/nfs/dbraw/zinc/37/54/03/555375403.db2.gz	OVNMBNGBCSMIEL-UHFFFAOYSA-N	-1	0	481.505	3.864	50	5		JHBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	ZINC000009631926	555461929	/nfs/dbraw/zinc/46/19/29/555461929.db2.gz	XDNMZRJAEGKWPU-UHFFFAOYSA-N	-1	0	457.464	3.665	50	5		JHBARM
O=C(c1cnn(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000034849487	569667205	/nfs/dbraw/zinc/66/72/05/569667205.db2.gz	FIUQJDBXHYEKFY-UHFFFAOYSA-N	-1	0	464.459	3.518	50	5		JHBARM
O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])o1	ZINC000065329803	569674916	/nfs/dbraw/zinc/67/49/16/569674916.db2.gz	YSTHGGLGJLTCHP-UHFFFAOYSA-N	-1	0	461.434	3.544	50	5		JHBARM
CCn1c(CNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)nc2ccccc21	ZINC000049574726	569848886	/nfs/dbraw/zinc/84/88/86/569848886.db2.gz	NCGRVQVXJCYLOY-UHFFFAOYSA-N	-1	0	493.545	3.624	50	5		JHBARM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Br)cc3)c2)c1	ZINC000003015244	194207366	/nfs/dbraw/zinc/20/73/66/194207366.db2.gz	VRNHFAPVRKFEOI-UHFFFAOYSA-N	-1	0	497.348	3.991	50	5		JHBARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1	ZINC000012691585	195088768	/nfs/dbraw/zinc/08/87/68/195088768.db2.gz	BZUSHFLZTIKQDD-UHFFFAOYSA-N	-1	0	487.515	3.633	50	5		JHBARM
CCOc1cc(C2C(C(=O)OC)=CN(c3ccc(F)cc3)C=C2C(=O)OC)cc([N+](=O)[O-])c1[O-]	ZINC000016247595	520689726	/nfs/dbraw/zinc/68/97/26/520689726.db2.gz	MJRSWTFJLMBZRO-UHFFFAOYSA-N	-1	0	472.425	3.556	50	5		JHBARM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O	ZINC000012525853	525930187	/nfs/dbraw/zinc/93/01/87/525930187.db2.gz	DHPXVRICYBTXEN-UHFFFAOYSA-N	-1	0	497.938	3.864	50	5		JHBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(COc2ccccc2[N+](=O)[O-])o1	ZINC000002767519	554334409	/nfs/dbraw/zinc/33/44/09/554334409.db2.gz	BOUILESHZWEACK-UHFFFAOYSA-N	-1	0	495.473	3.610	50	5		JHBARM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC	ZINC000009356429	555121333	/nfs/dbraw/zinc/12/13/33/555121333.db2.gz	SJAGGOZWNQXICT-UHFFFAOYSA-N	-1	0	499.545	3.694	50	5		JHBARM
COc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]2OC(=O)c3ccccc32)c([N+](=O)[O-])c1	ZINC000100721822	569767739	/nfs/dbraw/zinc/76/77/39/569767739.db2.gz	CWRYDEDGPFDHLH-NZQKXSOJSA-N	-1	0	474.425	3.522	50	5		JHBARM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1C	ZINC000002993212	194197202	/nfs/dbraw/zinc/19/72/02/194197202.db2.gz	QIKOOIIIGDFPBU-UHFFFAOYSA-N	-1	0	461.521	3.813	50	5		JHBARM
Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000002864799	554390912	/nfs/dbraw/zinc/39/09/12/554390912.db2.gz	QFRAJTMCZGPKPB-UHFFFAOYSA-N	-1	0	455.448	3.655	50	5		JHBARM
COc1ccc(C)cc1CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000009222901	554992770	/nfs/dbraw/zinc/99/27/70/554992770.db2.gz	SVTFYZAWWMSUCE-UHFFFAOYSA-N	-1	0	469.519	3.685	50	5		JHBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1	ZINC000009234656	555008579	/nfs/dbraw/zinc/00/85/79/555008579.db2.gz	BOTVTVFBXYKSLN-AATRIKPKSA-N	-1	0	492.257	3.631	50	5		JHBARM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H](C)C(=O)NC2CCCC2)c1	ZINC000009492902	555273656	/nfs/dbraw/zinc/27/36/56/555273656.db2.gz	BEHIAOXOCQLZKL-INIZCTEOSA-N	-1	0	489.550	3.617	50	5		JHBARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C	ZINC000009631154	555459905	/nfs/dbraw/zinc/45/99/05/555459905.db2.gz	VQGPKGSCJJRULI-UHFFFAOYSA-N	-1	0	483.502	3.924	50	5		JHBARM
O=C(c1cnn(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1)c1cc(F)ccc1[O-]	ZINC000012530292	556000237	/nfs/dbraw/zinc/00/02/37/556000237.db2.gz	SEIFYKVCGHTWKI-UHFFFAOYSA-N	-1	0	482.449	3.657	50	5		JHBARM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1	ZINC000003612261	194340690	/nfs/dbraw/zinc/34/06/90/194340690.db2.gz	SDQIJTRARQQKMC-UHFFFAOYSA-N	-1	0	461.521	3.813	50	5		JHBARM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3[N+](=O)[O-])c2)c1	ZINC000008453704	194452495	/nfs/dbraw/zinc/45/24/95/194452495.db2.gz	CAKQNVDMKAZFRN-UHFFFAOYSA-N	-1	0	475.866	4.000	50	5		JHBARM
CCOC(=O)c1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc([N+](=O)[O-])c1	ZINC000023194685	521429276	/nfs/dbraw/zinc/42/92/76/521429276.db2.gz	MENUZMYYKMUOSO-UHFFFAOYSA-N	-1	0	475.504	3.886	50	5		JHBARM
Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O	ZINC000016362142	525262614	/nfs/dbraw/zinc/26/26/14/525262614.db2.gz	LSHKCJYOYYPIJS-UHFFFAOYSA-N	-1	0	488.456	3.562	50	5		JHBARM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3cn4ccccc4n3)c2)cc1[N+](=O)[O-]	ZINC000006088813	525929158	/nfs/dbraw/zinc/92/91/58/525929158.db2.gz	LEUYBUSOQDDGMD-UHFFFAOYSA-N	-1	0	453.436	3.927	50	5		JHBARM
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000002864817	554390958	/nfs/dbraw/zinc/39/09/58/554390958.db2.gz	OCROSBOUWBNQNS-UHFFFAOYSA-N	-1	0	455.448	3.655	50	5		JHBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1ccccc1Cl)C2=O	ZINC000009128842	554926199	/nfs/dbraw/zinc/92/61/99/554926199.db2.gz	KJUUQEADKHGSHK-PGRDOPGGSA-N	-1	0	456.886	3.679	50	5		JHBARM
COc1ccc(NS(=O)(=O)c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)cc1	ZINC000009444205	555217080	/nfs/dbraw/zinc/21/70/80/555217080.db2.gz	WQGZAEGZXSEPQI-UHFFFAOYSA-N	-1	0	477.520	3.513	50	5		JHBARM
O=C([O-])C1c2ccccc2C(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21	ZINC000010034856	555601933	/nfs/dbraw/zinc/60/19/33/555601933.db2.gz	UMUCOBZUIZEFBK-UHFFFAOYSA-N	-1	0	457.486	3.605	50	5		JHBARM
Cc1cc(C)c(S(=O)(=O)[N-]c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c(C)c1	ZINC000012526239	555994313	/nfs/dbraw/zinc/99/43/13/555994313.db2.gz	AWCOUIQVFJOPCZ-UHFFFAOYSA-N	-1	0	467.550	3.610	50	5		JHBARM
CCOC(=O)C1=CN(c2cccc(F)c2)C=C(C(=O)OCC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000013080721	556278384	/nfs/dbraw/zinc/27/83/84/556278384.db2.gz	LDGNVSYTILRGDO-UHFFFAOYSA-N	-1	0	486.452	3.946	50	5		JHBARM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)C(=C([O-])c1ccccc1O)[C@H]1OC(=O)c2ccccc21	ZINC000100742317	569768501	/nfs/dbraw/zinc/76/85/01/569768501.db2.gz	XMMLKCLZJTUYAI-KNQAVFIVSA-N	-1	0	494.843	3.872	50	5		JHBARM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000245328571	570065926	/nfs/dbraw/zinc/06/59/26/570065926.db2.gz	VIIUZRFDNPKPBJ-IYSALDKVSA-N	-1	0	468.897	3.883	50	5		JHBARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)ncn1	ZINC000001747997	194133862	/nfs/dbraw/zinc/13/38/62/194133862.db2.gz	SFSWCBFHTQJVJV-UHFFFAOYSA-N	-1	0	485.503	3.661	50	5		JHBARM
COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000003769730	194360778	/nfs/dbraw/zinc/36/07/78/194360778.db2.gz	SYPHKNMUJBKWIP-LZYBPNLTSA-N	-1	0	478.866	3.957	50	5		JHBARM
O=C([O-])c1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1	ZINC000002682854	526377322	/nfs/dbraw/zinc/37/73/22/526377322.db2.gz	PIYUUVKSKOEPLN-HNNXBMFYSA-N	-1	0	491.740	3.706	50	5		JHBARM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000023157651	527207193	/nfs/dbraw/zinc/20/71/93/527207193.db2.gz	KNKQNKKYWVOJGT-FQEVSTJZSA-N	-1	0	464.551	3.620	50	5		JHBARM
C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-]	ZINC000002129184	554059623	/nfs/dbraw/zinc/05/96/23/554059623.db2.gz	MDKAWFIEKHSDSV-LFVRLGFBSA-N	-1	0	486.480	3.713	50	5	biogenic	JHBARM
Cc1nn(Cc2ccc(C(=O)[N-]n3c(C)nc4sc5c(c4c3=O)CC[C@@H](C)C5)o2)c(C)c1[N+](=O)[O-]	ZINC000002780157	554341502	/nfs/dbraw/zinc/34/15/02/554341502.db2.gz	KIULQTOBNMRUMR-LLVKDONJSA-N	-1	0	496.549	3.638	50	5		JHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000009335222	555102757	/nfs/dbraw/zinc/10/27/57/555102757.db2.gz	RRGXWFJIMHCPCL-UHFFFAOYSA-N	-1	0	472.450	3.883	50	5		JHBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1	ZINC000009354544	555118764	/nfs/dbraw/zinc/11/87/64/555118764.db2.gz	QCPVSWUCKSHSEQ-UHFFFAOYSA-N	-1	0	461.887	3.708	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1	ZINC000009467674	555245258	/nfs/dbraw/zinc/24/52/58/555245258.db2.gz	NZAPVCHVQLZKRU-UHFFFAOYSA-N	-1	0	473.482	3.516	50	5		JHBARM
O=C([O-])c1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)ccc1Cl	ZINC000009489295	555264100	/nfs/dbraw/zinc/26/41/00/555264100.db2.gz	CKQQDWOFFFHIDO-CCQQUTMYSA-N	-1	0	474.856	3.823	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)o2)c1	ZINC000009491659	555269672	/nfs/dbraw/zinc/26/96/72/555269672.db2.gz	ZSQRYEHEVVPCBK-UHFFFAOYSA-N	-1	0	459.480	3.578	50	5		JHBARM
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)c([N+](=O)[O-])c2)C1	ZINC000013097022	556292666	/nfs/dbraw/zinc/29/26/66/556292666.db2.gz	CORDXFATDDVSOU-TXEJJXNPSA-N	-1	0	494.016	3.777	50	5		JHBARM
O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000009640389	194844633	/nfs/dbraw/zinc/84/46/33/194844633.db2.gz	QJFHKKVSJSCLHG-UHFFFAOYSA-N	-1	0	480.458	3.803	50	5		JHBARM
CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1	ZINC000006600701	521039241	/nfs/dbraw/zinc/03/92/41/521039241.db2.gz	BUEJTKOTHAXIKI-XDJZYPBNSA-N	-1	0	484.464	3.629	50	5		JHBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3cc(Cl)c4nonc4c3[N+](=O)[O-])cc2)n1	ZINC000016309596	524591267	/nfs/dbraw/zinc/59/12/67/524591267.db2.gz	FBFOYMPIBJLTAS-UHFFFAOYSA-N	-1	0	475.874	3.736	50	5		JHBARM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C	ZINC000016312549	525302842	/nfs/dbraw/zinc/30/28/42/525302842.db2.gz	APKTZBRTOMJCSE-UHFFFAOYSA-N	-1	0	461.521	3.813	50	5		JHBARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1cccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	ZINC000027528036	527542152	/nfs/dbraw/zinc/54/21/52/527542152.db2.gz	QUKFVAHYZROZHW-UHFFFAOYSA-N	-1	0	471.838	3.979	50	5		JHBARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12	ZINC000002112648	554051327	/nfs/dbraw/zinc/05/13/27/554051327.db2.gz	QUKUWAWACFICTC-QFIPXVFZSA-N	-1	0	456.454	3.618	50	5	biogenic	JHBARM
Cc1c([N+](=O)[O-])cnn1CCc1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1	ZINC000002731193	554315554	/nfs/dbraw/zinc/31/55/54/554315554.db2.gz	FMIOIXYBSIMOMQ-UHFFFAOYSA-N	-1	0	462.898	3.975	50	5		JHBARM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000002860274	554386709	/nfs/dbraw/zinc/38/67/09/554386709.db2.gz	WMYZSFJPBQLFRK-UHFFFAOYSA-N	-1	0	475.866	4.000	50	5		JHBARM
Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002866467	554392047	/nfs/dbraw/zinc/39/20/47/554392047.db2.gz	GJHLVYIORZUGGV-UHFFFAOYSA-N	-1	0	461.521	3.813	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(F)c2)c1	ZINC000009285213	555059315	/nfs/dbraw/zinc/05/93/15/555059315.db2.gz	XXTNDTKXUGJXNY-UHFFFAOYSA-N	-1	0	463.418	3.935	50	5		JHBARM
O=C(NCC1(c2ccccc2)CC1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014094407	555686863	/nfs/dbraw/zinc/68/68/63/555686863.db2.gz	VGXIKCOAONHFAZ-UHFFFAOYSA-N	-1	0	451.504	3.857	50	5		JHBARM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2OC)CC1	ZINC000015173891	555881714	/nfs/dbraw/zinc/88/17/14/555881714.db2.gz	MIQZUCVIRWLJIL-UHFFFAOYSA-N	-1	0	498.561	3.739	50	5		JHBARM
O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000012429033	555979908	/nfs/dbraw/zinc/97/99/08/555979908.db2.gz	DAGHZWDKUHNSKL-UHFFFAOYSA-N	-1	0	450.363	3.706	50	5		JHBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)c2ccccc2)c1	ZINC000089651340	569719433	/nfs/dbraw/zinc/71/94/33/569719433.db2.gz	WPLSICRTVPJQAM-UHFFFAOYSA-N	-1	0	461.521	3.529	50	5		JHBARM
Cc1ccccc1N1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000102782795	569823842	/nfs/dbraw/zinc/82/38/42/569823842.db2.gz	SZIZUGUDGRYZFG-BKMJKUGQSA-N	-1	0	470.485	3.906	50	5		JHBARM
COc1cc([C@H](CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2c([O-])cc(C)oc2=O)cc2c1OCO2	ZINC000253470793	570099171	/nfs/dbraw/zinc/09/91/71/570099171.db2.gz	DWZKGNWCVWMHBI-AWEZNQCLSA-N	-1	0	486.408	3.599	50	5		JHBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)n1	ZINC000001769950	194135909	/nfs/dbraw/zinc/13/59/09/194135909.db2.gz	BQFCRZZSQUMLRS-WEVVVXLNSA-N	-1	0	459.509	3.516	50	5	in-vitro	JHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)cc1	ZINC000003306078	194274859	/nfs/dbraw/zinc/27/48/59/194274859.db2.gz	BWHBMNMSXUWTJR-UHFFFAOYSA-N	-1	0	458.926	3.943	50	5		JHBARM
CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1[O-]	ZINC000016382752	520776809	/nfs/dbraw/zinc/77/68/09/520776809.db2.gz	PANWWAGZVHBYBC-KRWDZBQOSA-N	-1	0	462.915	3.784	50	5		JHBARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1C	ZINC000012525851	524640997	/nfs/dbraw/zinc/64/09/97/524640997.db2.gz	GWQVJGWLLMBLJS-UHFFFAOYSA-N	-1	0	491.547	3.822	50	5		JHBARM
O=C([O-])c1ccc(NC(=S)N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1	ZINC000002905379	526377746	/nfs/dbraw/zinc/37/77/46/526377746.db2.gz	VUFXKSVQORMQHZ-OAHLLOKOSA-N	-1	0	491.740	3.706	50	5		JHBARM
CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1	ZINC000006600696	554555516	/nfs/dbraw/zinc/55/55/16/554555516.db2.gz	BUEJTKOTHAXIKI-FPAXGFGJSA-N	-1	0	484.464	3.629	50	5		JHBARM
C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c([N+](=O)[O-])c2)C1	ZINC000008825265	554713500	/nfs/dbraw/zinc/71/35/00/554713500.db2.gz	YYGHDJFKQSDBTO-INIZCTEOSA-N	-1	0	489.575	3.969	50	5		JHBARM
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@@H]1c1ccccc1	ZINC000009111413	554898834	/nfs/dbraw/zinc/89/88/34/554898834.db2.gz	DQTVRLLVHDPTFZ-SQJMNOBHSA-N	-1	0	456.458	3.598	50	5		JHBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1ccccc1Cl)C2=O	ZINC000009130784	554930881	/nfs/dbraw/zinc/93/08/81/554930881.db2.gz	KJUUQEADKHGSHK-GCJKJVERSA-N	-1	0	456.886	3.679	50	5		JHBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1ccc(Cl)cc1)C2=O	ZINC000009434010	555204659	/nfs/dbraw/zinc/20/46/59/555204659.db2.gz	OXRUBTNLKHVWQU-GCJKJVERSA-N	-1	0	456.886	3.679	50	5		JHBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1ccc(Cl)cc1)C2=O	ZINC000009434013	555204691	/nfs/dbraw/zinc/20/46/91/555204691.db2.gz	OXRUBTNLKHVWQU-PGRDOPGGSA-N	-1	0	456.886	3.679	50	5		JHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1	ZINC000009708673	555433601	/nfs/dbraw/zinc/43/36/01/555433601.db2.gz	SRVREXCKVAGQPO-UHFFFAOYSA-N	-1	0	479.561	3.599	50	5		JHBARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	ZINC000013575767	555514574	/nfs/dbraw/zinc/51/45/74/555514574.db2.gz	LEJRNZOKRVDXRP-MOSHPQCFSA-N	-1	0	461.430	3.711	50	5		JHBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@H]3C(C)C)C2=O)cc1	ZINC000012401450	555975689	/nfs/dbraw/zinc/97/56/89/555975689.db2.gz	RZBDQFIMCYYPGM-BKMJKUGQSA-N	-1	0	494.548	3.916	50	5		JHBARM
COc1cc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])s2)cc(OC)c1	ZINC000015823025	556011393	/nfs/dbraw/zinc/01/13/93/556011393.db2.gz	NULLNOXNYPVXFQ-GQCTYLIASA-N	-1	0	451.482	3.941	50	5		JHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-]	ZINC000017358038	556259710	/nfs/dbraw/zinc/25/97/10/556259710.db2.gz	NSDLTAAISIZWAQ-UHFFFAOYSA-N	-1	0	494.573	3.662	50	5		JHBARM
CCc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)cc1	ZINC000245327720	570065293	/nfs/dbraw/zinc/06/52/93/570065293.db2.gz	PSGOFQVCFAYQCT-TUUZDCGNSA-N	-1	0	478.505	3.805	50	5		JHBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	ZINC000003339156	194289299	/nfs/dbraw/zinc/28/92/99/194289299.db2.gz	VPDFTDDXHZBWDW-UHFFFAOYSA-N	-1	0	458.423	3.574	50	5		JHBARM
O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000003381864	194309944	/nfs/dbraw/zinc/30/99/44/194309944.db2.gz	TVMLZSBANPJASQ-UHFFFAOYSA-N	-1	0	462.336	3.987	50	5		JHBARM
CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000016391689	521133430	/nfs/dbraw/zinc/13/34/30/521133430.db2.gz	LVZAYYCWDKCWCP-UHFFFAOYSA-N	-1	0	477.520	3.595	50	5		JHBARM
COC(=O)C1=CN(c2ccc(F)c(Cl)c2)C=C(C(=O)OC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000016294253	522900486	/nfs/dbraw/zinc/90/04/86/522900486.db2.gz	USLUWKVTVLYDLQ-UHFFFAOYSA-N	-1	0	492.843	3.819	50	5		JHBARM
O=[N+]([O-])c1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC3(CC2)OCCO3)cc1	ZINC000034871943	527377246	/nfs/dbraw/zinc/37/72/46/527377246.db2.gz	CEQWVWSXZFTIPO-KRWDZBQOSA-N	-1	0	483.506	3.593	50	5		JHBARM
Cc1nn(CCc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731074	554315303	/nfs/dbraw/zinc/31/53/03/554315303.db2.gz	XGGKAEFDHXIWQK-UHFFFAOYSA-N	-1	0	462.898	3.975	50	5		JHBARM
O=C([O-])c1ccc(NC(=S)N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1	ZINC000002905380	554410658	/nfs/dbraw/zinc/41/06/58/554410658.db2.gz	VUFXKSVQORMQHZ-HNNXBMFYSA-N	-1	0	491.740	3.706	50	5		JHBARM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000009242724	555017411	/nfs/dbraw/zinc/01/74/11/555017411.db2.gz	VIIUZRFDNPKPBJ-DEWVYBRMSA-N	-1	0	468.897	3.679	50	5		JHBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2c(C)nc3ccccc3c2=O)c1	ZINC000009707396	555430295	/nfs/dbraw/zinc/43/02/95/555430295.db2.gz	VAJTXIUVFUCBOP-UHFFFAOYSA-N	-1	0	450.476	3.712	50	5		JHBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1cccc(Cl)c1)C2=O	ZINC000013591327	555525823	/nfs/dbraw/zinc/52/58/23/555525823.db2.gz	NADLGOPYIYUZPN-AVRDEDQJSA-N	-1	0	456.886	3.679	50	5		JHBARM
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000010898770	555745810	/nfs/dbraw/zinc/74/58/10/555745810.db2.gz	CXFLQEIHCPOPEM-UHFFFAOYSA-N	-1	0	491.529	3.854	50	5		JHBARM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1	ZINC000023157669	556025820	/nfs/dbraw/zinc/02/58/20/556025820.db2.gz	DIDMCHPOZRVTKC-IBGZPJMESA-N	-1	0	468.514	3.764	50	5		JHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1	ZINC000089780769	569719853	/nfs/dbraw/zinc/71/98/53/569719853.db2.gz	VGDFRRLFMGGBLX-UHFFFAOYSA-N	-1	0	467.912	3.850	50	5		JHBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)c1C	ZINC000245329181	570066175	/nfs/dbraw/zinc/06/61/75/570066175.db2.gz	YCCGVXCMFMUAAV-KIQGRPGXSA-N	-1	0	478.505	3.860	50	5		JHBARM
O=C([O-])c1cccc(NC(=S)N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1	ZINC000002905378	194168175	/nfs/dbraw/zinc/16/81/75/194168175.db2.gz	GPWHVVCHKQBJTJ-OAHLLOKOSA-N	-1	0	491.740	3.706	50	5		JHBARM
CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000003991884	194368099	/nfs/dbraw/zinc/36/80/99/194368099.db2.gz	JTEYLYDAZLPERM-UHFFFAOYSA-N	-1	0	477.520	3.595	50	5		JHBARM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1	ZINC000006088935	526083108	/nfs/dbraw/zinc/08/31/08/526083108.db2.gz	GHSNPFVQQKAHDL-UHFFFAOYSA-N	-1	0	456.436	3.865	50	5		JHBARM
COc1ccc([C@H]2SCCN2C(=O)c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1Br	ZINC000008826624	554716482	/nfs/dbraw/zinc/71/64/82/554716482.db2.gz	AHHVCFBYRVWLCH-QGZVFWFLSA-N	-1	0	467.297	3.952	50	5		JHBARM
Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000020294313	555762987	/nfs/dbraw/zinc/76/29/87/555762987.db2.gz	AKQSSGRCZRSKAO-UHFFFAOYSA-N	-1	0	476.383	3.953	50	5		JHBARM
CCCCOc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCCC(=O)[O-])cc1	ZINC000022258481	555905946	/nfs/dbraw/zinc/90/59/46/555905946.db2.gz	FAPMEPYAKYIDKT-LTGZKZEYSA-N	-1	0	469.494	3.526	50	5		JHBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000089644460	569719447	/nfs/dbraw/zinc/71/94/47/569719447.db2.gz	TVTPGELKMBEWRF-UHFFFAOYSA-N	-1	0	499.501	3.508	50	5		JHBARM
CCOc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)cc1	ZINC000245325582	570064316	/nfs/dbraw/zinc/06/43/16/570064316.db2.gz	FWTKOEFFKWYWBX-UWRRCVPVSA-N	-1	0	494.504	3.642	50	5		JHBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)s1	ZINC000001769284	194135943	/nfs/dbraw/zinc/13/59/43/194135943.db2.gz	FEIRKSUMOBBUMR-UHFFFAOYSA-N	-1	0	467.916	3.715	50	5		JHBARM
O=C([O-])c1cccc(NC(=S)N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1	ZINC000002682855	194163643	/nfs/dbraw/zinc/16/36/43/194163643.db2.gz	ROYRRLXVBMHJCO-OAHLLOKOSA-N	-1	0	491.740	3.706	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000003569864	194338211	/nfs/dbraw/zinc/33/82/11/194338211.db2.gz	NHZIIQCZHMBPAK-UHFFFAOYSA-N	-1	0	490.425	3.704	50	5		JHBARM
O=C([O-])c1ccccc1NC(=S)N[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl	ZINC000008672737	194474450	/nfs/dbraw/zinc/47/44/50/194474450.db2.gz	JHVRYJCGKDVGAG-HNNXBMFYSA-N	-1	0	491.740	3.706	50	5		JHBARM
COc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3ccc([N+](=O)[O-])cc3)c4=O)c2c1	ZINC000020676847	195201557	/nfs/dbraw/zinc/20/15/57/195201557.db2.gz	DRVJWBPIBQUBSQ-UHFFFAOYSA-N	-1	0	459.462	3.794	50	5		JHBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)c1	ZINC000016096202	524645200	/nfs/dbraw/zinc/64/52/00/524645200.db2.gz	PISNZLCALLIEBU-UHFFFAOYSA-N	-1	0	471.491	3.974	50	5		JHBARM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)cc1[N+](=O)[O-]	ZINC000006088812	525928825	/nfs/dbraw/zinc/92/88/25/525928825.db2.gz	QEUARXDGANAEAU-UHFFFAOYSA-N	-1	0	453.436	3.927	50	5		JHBARM
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000015686151	526222463	/nfs/dbraw/zinc/22/24/63/526222463.db2.gz	OSNGJKOGCDXMAL-UHFFFAOYSA-N	-1	0	455.448	3.655	50	5		JHBARM
Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000012427814	527070923	/nfs/dbraw/zinc/07/09/23/527070923.db2.gz	BUOLEHDNUWIXEA-UHFFFAOYSA-N	-1	0	499.552	3.761	50	5		JHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1	ZINC000016124642	527405546	/nfs/dbraw/zinc/40/55/46/527405546.db2.gz	LLENDKRQNGQKJD-UHFFFAOYSA-N	-1	0	467.912	3.850	50	5		JHBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)s1	ZINC000002025847	554009232	/nfs/dbraw/zinc/00/92/32/554009232.db2.gz	WASIYSGEJKFJKI-UHFFFAOYSA-N	-1	0	467.916	3.715	50	5		JHBARM
C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-]	ZINC000002129186	554059565	/nfs/dbraw/zinc/05/95/65/554059565.db2.gz	MDKAWFIEKHSDSV-QKFKETGDSA-N	-1	0	486.480	3.713	50	5	biogenic	JHBARM
O=[N+]([O-])c1cnn(Cc2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c1	ZINC000002730113	554314416	/nfs/dbraw/zinc/31/44/16/554314416.db2.gz	PPEPCCINZZPOOP-UHFFFAOYSA-N	-1	0	451.299	3.986	50	5		JHBARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)CCCCCC3	ZINC000002780702	554341711	/nfs/dbraw/zinc/34/17/11/554341711.db2.gz	FJFRSEWQTDSIGI-UHFFFAOYSA-N	-1	0	482.522	3.555	50	5		JHBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1ccccc1Cl)C2=O	ZINC000009130785	554930915	/nfs/dbraw/zinc/93/09/15/554930915.db2.gz	KJUUQEADKHGSHK-AVRDEDQJSA-N	-1	0	456.886	3.679	50	5		JHBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000015391762	555903625	/nfs/dbraw/zinc/90/36/25/555903625.db2.gz	DZFVIHRBZANHQO-NRFANRHFSA-N	-1	0	478.578	3.874	50	5		JHBARM
CSCC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000012381664	555970080	/nfs/dbraw/zinc/97/00/80/555970080.db2.gz	QEPBSEQOIRXMSM-RLKVQFJASA-N	-1	0	499.589	3.986	50	5		JHBARM
O=C([O-])CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1	ZINC000025782569	556234510	/nfs/dbraw/zinc/23/45/10/556234510.db2.gz	ARQVOICOWZVNEP-QHCPKHFHSA-N	-1	0	471.513	3.602	50	5		JHBARM
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000100742148	569768503	/nfs/dbraw/zinc/76/85/03/569768503.db2.gz	ITHMPMZHFBGZRX-SIKLNZKXSA-N	-1	0	462.389	3.652	50	5		JHBARM
Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	ZINC000040158028	569821849	/nfs/dbraw/zinc/82/18/49/569821849.db2.gz	DESAOGGJDKALTO-UHFFFAOYSA-N	-1	0	460.324	3.982	50	5		JHBARM
CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1[O-]	ZINC000016382756	520785292	/nfs/dbraw/zinc/78/52/92/520785292.db2.gz	PANWWAGZVHBYBC-QGZVFWFLSA-N	-1	0	462.915	3.784	50	5		JHBARM
COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC	ZINC000020492153	521894721	/nfs/dbraw/zinc/89/47/21/521894721.db2.gz	WUSNMUFQZJYXKJ-UHFFFAOYSA-N	-1	0	450.407	3.924	50	5		JHBARM
COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21	ZINC000004130717	523971859	/nfs/dbraw/zinc/97/18/59/523971859.db2.gz	LGQJDLILRZQIDL-UHFFFAOYSA-N	-1	0	468.871	3.907	50	5		JHBARM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1	ZINC000020494216	526270233	/nfs/dbraw/zinc/27/02/33/526270233.db2.gz	OSRQTCYNPMWCAI-UONOGXRCSA-N	-1	0	479.942	3.638	50	5		JHBARM
O=[N+]([O-])c1ccn(Cc2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n1	ZINC000002731100	554315211	/nfs/dbraw/zinc/31/52/11/554315211.db2.gz	OQRFUBVACONVOX-UHFFFAOYSA-N	-1	0	451.299	3.986	50	5		JHBARM
CS(=O)(=O)c1ccc(S([O-])=CC(=O)Oc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1	ZINC000006166266	554514095	/nfs/dbraw/zinc/51/40/95/554514095.db2.gz	GSEMCIQMXPKAFI-SSEXGKCCSA-N	-1	0	465.549	3.759	50	5		JHBARM
CCCN(CC1CC1)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000009492398	555272239	/nfs/dbraw/zinc/27/22/39/555272239.db2.gz	ZFGAUNXDJFFVSK-UHFFFAOYSA-N	-1	0	489.550	3.509	50	5		JHBARM
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000100742146	569768416	/nfs/dbraw/zinc/76/84/16/569768416.db2.gz	ITHMPMZHFBGZRX-DENIHFKCSA-N	-1	0	462.389	3.652	50	5		JHBARM
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000100742151	569768485	/nfs/dbraw/zinc/76/84/85/569768485.db2.gz	ITHMPMZHFBGZRX-UGKGYDQZSA-N	-1	0	462.389	3.652	50	5		JHBARM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)C(=C([O-])c1ccccc1O)[C@@H]1OC(=O)c2ccccc21	ZINC000100742314	569768487	/nfs/dbraw/zinc/76/84/87/569768487.db2.gz	XMMLKCLZJTUYAI-DENIHFKCSA-N	-1	0	494.843	3.872	50	5		JHBARM
Cc1cc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc(=O)n2o1	ZINC000041089683	569837414	/nfs/dbraw/zinc/83/74/14/569837414.db2.gz	BBOSPZGSVINUTC-UHFFFAOYSA-N	-1	0	472.504	3.597	50	5		JHBARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c(C)c1	ZINC000229904130	570042269	/nfs/dbraw/zinc/04/22/69/570042269.db2.gz	MZWGTVWFVAWHQR-CPJSRVTESA-N	-1	0	462.506	3.704	50	5		JHBARM
O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009008831	194503160	/nfs/dbraw/zinc/50/31/60/194503160.db2.gz	QWRHMBFWJPHVQA-HDLCADABSA-N	-1	0	483.524	3.851	50	5		JHBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)s1	ZINC000002995505	522778120	/nfs/dbraw/zinc/77/81/20/522778120.db2.gz	BPRAUTSGNCDWTB-UHFFFAOYSA-N	-1	0	467.916	3.715	50	5		JHBARM
COc1ccc(NS(=O)(=O)c2ccc(-n3cc(C(=O)c4ccccc4[O-])cn3)c([N+](=O)[O-])c2)cc1	ZINC000033526185	524690507	/nfs/dbraw/zinc/69/05/07/524690507.db2.gz	VWXJKETVGAKHJX-UHFFFAOYSA-N	-1	0	494.485	3.527	50	5		JHBARM
C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-]	ZINC000002129180	525940257	/nfs/dbraw/zinc/94/02/57/525940257.db2.gz	MDKAWFIEKHSDSV-PSLXWICFSA-N	-1	0	486.480	3.713	50	5	biogenic	JHBARM
O=c1/c(=C/c2ccc([O-])c([N+](=O)[O-])c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1	ZINC000036144767	527431700	/nfs/dbraw/zinc/43/17/00/527431700.db2.gz	HSAIMDQWNORJNI-VZIOXZNFSA-N	-1	0	487.562	3.994	50	5		JHBARM
O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000014632628	527633438	/nfs/dbraw/zinc/63/34/38/527633438.db2.gz	WIGASSLCYMGNEA-QFIPXVFZSA-N	-1	0	475.457	3.915	50	5		JHBARM
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@@H](CSCc1ccccc1)C(=O)[O-]	ZINC000002123344	554057091	/nfs/dbraw/zinc/05/70/91/554057091.db2.gz	FOPXWXBUEYWDQI-NRFANRHFSA-N	-1	0	463.511	3.828	50	5	biogenic	JHBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)n1	ZINC000002709386	554297074	/nfs/dbraw/zinc/29/70/74/554297074.db2.gz	YYJQLOTUURSATC-UHFFFAOYSA-N	-1	0	469.504	3.961	50	5		JHBARM
COc1nn(CCc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731331	554315622	/nfs/dbraw/zinc/31/56/22/554315622.db2.gz	DPOOLHRGYKOACF-UHFFFAOYSA-N	-1	0	478.897	3.675	50	5		JHBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)[nH]1	ZINC000009234708	555008563	/nfs/dbraw/zinc/00/85/63/555008563.db2.gz	NGPFBTSWZZWHMD-XVNBXDOJSA-N	-1	0	462.231	3.622	50	5		JHBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)[nH]1	ZINC000009235019	555008762	/nfs/dbraw/zinc/00/87/62/555008762.db2.gz	HFTBXAGPZPKYLL-XVNBXDOJSA-N	-1	0	462.231	3.622	50	5		JHBARM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000009252820	555027914	/nfs/dbraw/zinc/02/79/14/555027914.db2.gz	SGHRLOKZQMRVFJ-AUSIDOKSSA-N	-1	0	484.965	3.988	50	5		JHBARM
COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3OC)cc2)cc1	ZINC000009285211	555059376	/nfs/dbraw/zinc/05/93/76/555059376.db2.gz	WJCLWINGVSPLDH-UHFFFAOYSA-N	-1	0	457.464	3.665	50	5		JHBARM
Cc1cc(C)cc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1	ZINC000009554129	555350651	/nfs/dbraw/zinc/35/06/51/555350651.db2.gz	ATOQSZKUOZUBKJ-UHFFFAOYSA-N	-1	0	461.521	3.813	50	5		JHBARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000009562866	555364585	/nfs/dbraw/zinc/36/45/85/555364585.db2.gz	HBJPTYLOCBJIST-CYBMUJFWSA-N	-1	0	475.504	3.641	50	5		JHBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000009714718	555444626	/nfs/dbraw/zinc/44/46/26/555444626.db2.gz	PNXHZAGZYNVAOB-UHFFFAOYSA-N	-1	0	457.464	3.665	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1	ZINC000015563531	555915732	/nfs/dbraw/zinc/91/57/32/555915732.db2.gz	NFLHNBCNDJNTPX-UHFFFAOYSA-N	-1	0	453.476	3.607	50	5		JHBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)c1	ZINC000245328574	570065830	/nfs/dbraw/zinc/06/58/30/570065830.db2.gz	VIKGSKDCLWACFL-HCOFWLBKSA-N	-1	0	464.478	3.551	50	5		JHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)nc(C)n1	ZINC000001770349	194136454	/nfs/dbraw/zinc/13/64/54/194136454.db2.gz	MUTUMYZUFVBDOL-UHFFFAOYSA-N	-1	0	461.887	3.708	50	5		JHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)nc(C)n1	ZINC000001910373	194155034	/nfs/dbraw/zinc/15/50/34/194155034.db2.gz	NVUIKKAEFQTHJK-UHFFFAOYSA-N	-1	0	461.887	3.708	50	5		JHBARM
O=C([O-])c1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000008672742	194474361	/nfs/dbraw/zinc/47/43/61/194474361.db2.gz	LHCKTMKYCCLGFF-HNNXBMFYSA-N	-1	0	491.740	3.706	50	5		JHBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)cc1	ZINC000009186965	194583486	/nfs/dbraw/zinc/58/34/86/194583486.db2.gz	LVGUGHMMFOGLPS-GJZUVCINSA-N	-1	0	470.485	3.906	50	5		JHBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12	ZINC000033489841	526917086	/nfs/dbraw/zinc/91/70/86/526917086.db2.gz	FZBMWQXFAZQBQQ-UHFFFAOYSA-N	-1	0	479.470	3.917	50	5		JHBARM
O=[N+]([O-])c1cccc(NC(=S)N[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1	ZINC000002856254	527391645	/nfs/dbraw/zinc/39/16/45/527391645.db2.gz	TZDJGALUJGOHJS-UHFFFAOYSA-N	-1	0	455.732	3.735	50	5		JHBARM
Cc1c(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002113798	554052248	/nfs/dbraw/zinc/05/22/48/554052248.db2.gz	KPSVCBXPHRRKCB-QFIPXVFZSA-N	-1	0	470.481	3.927	50	5	biogenic	JHBARM
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000002860268	554386730	/nfs/dbraw/zinc/38/67/30/554386730.db2.gz	GMRUIAMPSLWXPN-UHFFFAOYSA-N	-1	0	455.448	3.655	50	5		JHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000002987725	554420346	/nfs/dbraw/zinc/42/03/46/554420346.db2.gz	PIESXQMDXHJIJR-UHFFFAOYSA-N	-1	0	467.912	3.850	50	5		JHBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1ccccc1Cl)C2=O	ZINC000009128841	554926117	/nfs/dbraw/zinc/92/61/17/554926117.db2.gz	KJUUQEADKHGSHK-XMSQKQJNSA-N	-1	0	456.886	3.679	50	5		JHBARM
CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@@H]1c1ccccc1	ZINC000009128992	554926635	/nfs/dbraw/zinc/92/66/35/554926635.db2.gz	ZGTMASBEDXBCCC-NVQXNPDNSA-N	-1	0	470.485	3.988	50	5		JHBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1cccc(Cl)c1)C2=O	ZINC000009129186	554927044	/nfs/dbraw/zinc/92/70/44/554927044.db2.gz	NADLGOPYIYUZPN-GCJKJVERSA-N	-1	0	456.886	3.679	50	5		JHBARM
Cc1nc(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]c(=O)c1Cc1ccccc1Cl	ZINC000018191127	556301276	/nfs/dbraw/zinc/30/12/76/556301276.db2.gz	JBHSQJWDXDKGNN-UHFFFAOYSA-N	-1	0	488.909	3.660	50	5		JHBARM
COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035877218	569719890	/nfs/dbraw/zinc/71/98/90/569719890.db2.gz	CBRDEXMOHIMLPY-UHFFFAOYSA-N	-1	0	488.880	3.676	50	5		JHBARM
COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1OC	ZINC000020492248	523103813	/nfs/dbraw/zinc/10/38/13/523103813.db2.gz	UUUIQFYPCQYJKN-UHFFFAOYSA-N	-1	0	450.407	3.924	50	5		JHBARM
O=c1oc2c3ccccc3n(-c3ccccc3)c(=O)c2c([O-])c1Sc1nnnn1-c1ccccc1	ZINC000000707788	553764654	/nfs/dbraw/zinc/76/46/54/553764654.db2.gz	NAHKTBTUVCUJNQ-UHFFFAOYSA-N	-1	0	481.493	3.930	50	5		JHBARM
CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000002864311	554390528	/nfs/dbraw/zinc/39/05/28/554390528.db2.gz	WBZLXARHQBLUIY-UHFFFAOYSA-N	-1	0	477.520	3.595	50	5		JHBARM
Cc1ccc([N+](=O)[O-])cc1N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)c1ccccc1C(=O)[O-]	ZINC000008385872	554568901	/nfs/dbraw/zinc/56/89/01/554568901.db2.gz	HFBVSIQFGGWNKT-UHFFFAOYSA-N	-1	0	494.372	3.905	50	5		JHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)no1	ZINC000009444308	555217379	/nfs/dbraw/zinc/21/73/79/555217379.db2.gz	WWUKSLZEROXQRM-UHFFFAOYSA-N	-1	0	471.495	3.545	50	5		JHBARM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1COc2ccccc2O1	ZINC000009540618	555333613	/nfs/dbraw/zinc/33/36/13/555333613.db2.gz	OYSJTKVIFXLOOV-INIZCTEOSA-N	-1	0	471.491	3.656	50	5		JHBARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2OC)cc1	ZINC000009633268	555336153	/nfs/dbraw/zinc/33/61/53/555336153.db2.gz	ZEWYVSHMYYEVIW-UHFFFAOYSA-N	-1	0	471.491	3.974	50	5		JHBARM
O=[N+]([O-])c1ccc(NC(=S)N[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1	ZINC000033568654	569628041	/nfs/dbraw/zinc/62/80/41/569628041.db2.gz	SIDWBDKOGMXUER-UHFFFAOYSA-N	-1	0	455.732	3.735	50	5		JHBARM
CCc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000245327715	570065288	/nfs/dbraw/zinc/06/52/88/570065288.db2.gz	PSGOFQVCFAYQCT-IBUDROQVSA-N	-1	0	478.505	3.805	50	5		JHBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)c1C	ZINC000245329184	570066182	/nfs/dbraw/zinc/06/61/82/570066182.db2.gz	YCCGVXCMFMUAAV-MQXCIVDOSA-N	-1	0	478.505	3.860	50	5		JHBARM
COc1cc([C@@H](CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2c([O-])cc(C)oc2=O)cc2c1OCO2	ZINC000253470794	570099206	/nfs/dbraw/zinc/09/92/06/570099206.db2.gz	DWZKGNWCVWMHBI-CQSZACIVSA-N	-1	0	486.408	3.599	50	5		JHBARM
COc1cc(C(=O)[O-])c(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1OC	ZINC000001057417	194011438	/nfs/dbraw/zinc/01/14/38/194011438.db2.gz	JQYDQNIHQGOLOM-UHFFFAOYSA-N	-1	0	464.386	3.903	50	5		JHBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000001770480	194136466	/nfs/dbraw/zinc/13/64/66/194136466.db2.gz	MLPHHJSRWUHCTK-UHFFFAOYSA-N	-1	0	455.477	3.653	50	5		JHBARM
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc([N+](=O)[O-])ccc3[O-])o2)c1	ZINC000012599533	195044798	/nfs/dbraw/zinc/04/47/98/195044798.db2.gz	BSCHKZRPFFHDHC-UHFFFAOYSA-N	-1	0	464.525	3.673	50	5		JHBARM
COc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000012520166	524654667	/nfs/dbraw/zinc/65/46/67/524654667.db2.gz	QJTZJNKYOLTSHM-UHFFFAOYSA-N	-1	0	485.453	3.672	50	5		JHBARM
O=C([O-])c1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1	ZINC000002682853	526377117	/nfs/dbraw/zinc/37/71/17/526377117.db2.gz	PIYUUVKSKOEPLN-OAHLLOKOSA-N	-1	0	491.740	3.706	50	5		JHBARM
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccn2)c1	ZINC000000887972	553826298	/nfs/dbraw/zinc/82/62/98/553826298.db2.gz	KLNUJVPYURFPON-UHFFFAOYSA-N	-1	0	477.296	3.805	50	5		JHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1	ZINC000002870731	554395396	/nfs/dbraw/zinc/39/53/96/554395396.db2.gz	NKYIDCPMRWUHRO-UHFFFAOYSA-N	-1	0	467.912	3.850	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1	ZINC000009282912	555053062	/nfs/dbraw/zinc/05/30/62/555053062.db2.gz	WIYMNKADMZXFTG-UHFFFAOYSA-N	-1	0	475.910	3.988	50	5		JHBARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1	ZINC000009335484	555102854	/nfs/dbraw/zinc/10/28/54/555102854.db2.gz	UKWREJLDRIOWPT-UHFFFAOYSA-N	-1	0	458.423	3.574	50	5		JHBARM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1[N+](=O)[O-]	ZINC000009714628	555444313	/nfs/dbraw/zinc/44/43/13/555444313.db2.gz	LNZWOJCSXFAPMS-UHFFFAOYSA-N	-1	0	484.494	3.669	50	5		JHBARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000013575751	555514616	/nfs/dbraw/zinc/51/46/16/555514616.db2.gz	SEBAUQIIMRKCGA-MOSHPQCFSA-N	-1	0	461.430	3.711	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000013137127	556367337	/nfs/dbraw/zinc/36/73/37/556367337.db2.gz	GGPRLOLBVGNJOV-UHFFFAOYSA-N	-1	0	490.425	3.704	50	5		JHBARM
Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1F	ZINC000040150896	569819794	/nfs/dbraw/zinc/81/97/94/569819794.db2.gz	XYOCHKDNCGXMGR-UHFFFAOYSA-N	-1	0	483.474	3.783	50	5		JHBARM
COCc1oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2c1C(=O)OC	ZINC000004022973	194370857	/nfs/dbraw/zinc/37/08/57/194370857.db2.gz	CSQTWOXVQMHCNV-UHFFFAOYSA-N	-1	0	454.844	3.728	50	5		JHBARM
CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036189839	520625322	/nfs/dbraw/zinc/62/53/22/520625322.db2.gz	KWLLYQZMXTVBFM-VGOFMYFVSA-N	-1	0	462.256	3.555	50	5		JHBARM
COCCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013268519	523967602	/nfs/dbraw/zinc/96/76/02/523967602.db2.gz	ONGLCWDSEXIEAX-LJQANCHMSA-N	-1	0	489.868	3.681	50	5		JHBARM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1	ZINC000020494225	526320983	/nfs/dbraw/zinc/32/09/83/526320983.db2.gz	OSRQTCYNPMWCAI-KGLIPLIRSA-N	-1	0	479.942	3.638	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1	ZINC000002622301	554246647	/nfs/dbraw/zinc/24/66/47/554246647.db2.gz	WHTDJJSFXNPOED-UHFFFAOYSA-N	-1	0	453.476	3.607	50	5		JHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	ZINC000002814776	554362151	/nfs/dbraw/zinc/36/21/51/554362151.db2.gz	KZJROKJYCBYXTH-UHFFFAOYSA-N	-1	0	467.912	3.850	50	5		JHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)c1	ZINC000008997048	554858461	/nfs/dbraw/zinc/85/84/61/554858461.db2.gz	SGZQJVZMZPYKOW-UHFFFAOYSA-N	-1	0	479.474	3.854	50	5		JHBARM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccc2c(c1)OCO2	ZINC000025372892	556210827	/nfs/dbraw/zinc/21/08/27/556210827.db2.gz	LDBNTTNNAPKBHD-UHFFFAOYSA-N	-1	0	471.491	3.769	50	5		JHBARM
COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000013119066	556331441	/nfs/dbraw/zinc/33/14/41/556331441.db2.gz	LYKZSBYLTDHBEE-BKUYFWCQSA-N	-1	0	461.430	3.711	50	5		JHBARM
C[C@H](c1ccccc1)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O	ZINC000227083099	570039877	/nfs/dbraw/zinc/03/98/77/570039877.db2.gz	LILWEPVXLOLOAV-HZNZVZPXSA-N	-1	0	478.505	3.799	50	5		JHBARM
COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1OC	ZINC000020492080	523104803	/nfs/dbraw/zinc/10/48/03/523104803.db2.gz	PJDCUGDWLSDQFS-UHFFFAOYSA-N	-1	0	450.407	3.924	50	5		JHBARM
CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@@H]1C(C)C	ZINC000009129184	554927139	/nfs/dbraw/zinc/92/71/39/554927139.db2.gz	QABPEIJJCONUHH-OFVILXPXSA-N	-1	0	464.522	3.907	50	5		JHBARM
Cc1ccc(Cn2cc(Br)c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000013959834	555662689	/nfs/dbraw/zinc/66/26/89/555662689.db2.gz	QWHSHIGRMMHDAU-UHFFFAOYSA-N	-1	0	451.302	3.711	50	5		JHBARM
CSCC[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000012381666	555970143	/nfs/dbraw/zinc/97/01/43/555970143.db2.gz	QEPBSEQOIRXMSM-YLCCHKQJSA-N	-1	0	499.589	3.986	50	5		JHBARM
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000023157654	556025796	/nfs/dbraw/zinc/02/57/96/556025796.db2.gz	KNKQNKKYWVOJGT-HXUWFJFHSA-N	-1	0	464.551	3.620	50	5		JHBARM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1	ZINC000023157632	556025825	/nfs/dbraw/zinc/02/58/25/556025825.db2.gz	UNZZDEWXHALRJA-IBGZPJMESA-N	-1	0	450.524	3.625	50	5		JHBARM
COc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)[N-]c3ccccc3OC)CC2)c1	ZINC000030593765	556368154	/nfs/dbraw/zinc/36/81/54/556368154.db2.gz	ZFGQZTKHXWUSNO-UHFFFAOYSA-N	-1	0	498.561	3.739	50	5		JHBARM
COc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]2OC(=O)c3ccccc32)c([N+](=O)[O-])c1	ZINC000100721825	569767799	/nfs/dbraw/zinc/76/77/99/569767799.db2.gz	CWRYDEDGPFDHLH-NFBKMPQASA-N	-1	0	474.425	3.522	50	5		JHBARM
O=C(Nc1ccc(Cl)cc1)C(=C([O-])c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	ZINC000003121891	194228513	/nfs/dbraw/zinc/22/85/13/194228513.db2.gz	NBZPGDLIZPQLOW-FQEVSTJZSA-N	-1	0	458.879	3.912	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1	ZINC000003569804	194338120	/nfs/dbraw/zinc/33/81/20/194338120.db2.gz	PCZWDUBZCMUABF-UHFFFAOYSA-N	-1	0	475.910	3.988	50	5		JHBARM
O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009008829	194503207	/nfs/dbraw/zinc/50/32/07/194503207.db2.gz	QWRHMBFWJPHVQA-SJTCKAEWSA-N	-1	0	483.524	3.851	50	5		JHBARM
C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-]	ZINC000002129181	525933635	/nfs/dbraw/zinc/93/36/35/525933635.db2.gz	MDKAWFIEKHSDSV-FATZIPQQSA-N	-1	0	486.480	3.713	50	5	biogenic	JHBARM
COC(=O)[C@]([N-]c1nc2ccc([N+](=O)[O-])cc2s1)(NC(=O)c1ccc(F)cc1)C(F)(F)F	ZINC000002050349	554010714	/nfs/dbraw/zinc/01/07/14/554010714.db2.gz	BMYFLUKWOYNMQI-QGZVFWFLSA-N	-1	0	472.376	3.617	50	5		JHBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)n1	ZINC000002709571	554297087	/nfs/dbraw/zinc/29/70/87/554297087.db2.gz	CJLPYYKPXCZSNJ-UHFFFAOYSA-N	-1	0	461.887	3.708	50	5		JHBARM
Cc1cc([N+](=O)[O-])nn1CCc1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1	ZINC000002730818	554314995	/nfs/dbraw/zinc/31/49/95/554314995.db2.gz	FXUNEORPNJGDOF-UHFFFAOYSA-N	-1	0	462.898	3.975	50	5		JHBARM
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000008825266	554713507	/nfs/dbraw/zinc/71/35/07/554713507.db2.gz	LPPMSILPZXGZKG-UHFFFAOYSA-N	-1	0	494.378	3.877	50	5		JHBARM
O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009008629	554862793	/nfs/dbraw/zinc/86/27/93/554862793.db2.gz	QWRHMBFWJPHVQA-WNZNVHFWSA-N	-1	0	483.524	3.851	50	5		JHBARM
O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000009124832	554916339	/nfs/dbraw/zinc/91/63/39/554916339.db2.gz	ONRKJAJIUMMELT-UHFFFAOYSA-N	-1	0	459.411	3.516	50	5		JHBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N(C)c1ccccc1	ZINC000009441091	555211660	/nfs/dbraw/zinc/21/16/60/555211660.db2.gz	KEOUWZBSRYVVPC-UHFFFAOYSA-N	-1	0	483.502	3.524	50	5		JHBARM
O=C([O-])c1cc(N2C(=O)[C@@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)ccc1Cl	ZINC000009489296	555264104	/nfs/dbraw/zinc/26/41/04/555264104.db2.gz	CKQQDWOFFFHIDO-YRSZXAOTSA-N	-1	0	474.856	3.823	50	5		JHBARM
COc1cc(NC(=O)CSc2nc(C)nc3sc(C(=O)[O-])c(C)c32)c(C)cc1[N+](=O)[O-]	ZINC000009613383	555448996	/nfs/dbraw/zinc/44/89/96/555448996.db2.gz	JFCNCYDDIZLZRN-UHFFFAOYSA-N	-1	0	462.509	3.962	50	5		JHBARM
CCOC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000022852308	555959520	/nfs/dbraw/zinc/95/95/20/555959520.db2.gz	GLXDREYUMNMMNU-KRWDZBQOSA-N	-1	0	498.521	3.528	50	5		JHBARM
O=C(NCCNc1nc2ccccc2s1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012544783	556020764	/nfs/dbraw/zinc/02/07/64/556020764.db2.gz	KRIBWUBUNAXTBG-UHFFFAOYSA-N	-1	0	497.558	3.847	50	5		JHBARM
COc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]2OC(=O)c3ccccc32)c([N+](=O)[O-])c1	ZINC000100721830	569767749	/nfs/dbraw/zinc/76/77/49/569767749.db2.gz	CWRYDEDGPFDHLH-OFNKIYASSA-N	-1	0	474.425	3.522	50	5		JHBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C2=O)c(C)c1	ZINC000230025511	570043716	/nfs/dbraw/zinc/04/37/16/570043716.db2.gz	QQAAUDGWJCCDAB-OFVILXPXSA-N	-1	0	462.506	3.991	50	5		JHBARM
CCOc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000245325577	570064303	/nfs/dbraw/zinc/06/43/03/570064303.db2.gz	FWTKOEFFKWYWBX-IBUDROQVSA-N	-1	0	494.504	3.642	50	5		JHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c(C)c1	ZINC000009224174	194610576	/nfs/dbraw/zinc/61/05/76/194610576.db2.gz	ZEROQWIFAATURH-UHFFFAOYSA-N	-1	0	467.569	3.577	50	5		JHBARM
COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000012631067	195063101	/nfs/dbraw/zinc/06/31/01/195063101.db2.gz	JZOXOKAJETULGQ-UHFFFAOYSA-N	-1	0	457.464	3.665	50	5		JHBARM
COc1cc(OC)c(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)n2)cc1OC	ZINC000020492075	522785127	/nfs/dbraw/zinc/78/51/27/522785127.db2.gz	SSSYBYKHIOSIGY-UHFFFAOYSA-N	-1	0	450.407	3.924	50	5		JHBARM
COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000016156296	524693207	/nfs/dbraw/zinc/69/32/07/524693207.db2.gz	USWDZYQFGRMSSD-UHFFFAOYSA-N	-1	0	477.520	3.513	50	5		JHBARM
O=C([O-])c1cc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)ccc1O	ZINC000095470784	526348585	/nfs/dbraw/zinc/34/85/85/526348585.db2.gz	VEAWNFFHYKUVKB-UHFFFAOYSA-N	-1	0	457.192	3.715	50	5		JHBARM
Cc1nn(Cc2ccc(C(=O)[N-]n3c(C)nc4sc5c(c4c3=O)CC[C@H](C)C5)o2)c(C)c1[N+](=O)[O-]	ZINC000002780156	554341387	/nfs/dbraw/zinc/34/13/87/554341387.db2.gz	KIULQTOBNMRUMR-NSHDSACASA-N	-1	0	496.549	3.638	50	5		JHBARM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1	ZINC000002860330	554386691	/nfs/dbraw/zinc/38/66/91/554386691.db2.gz	SLKHPDIIBHYULP-UHFFFAOYSA-N	-1	0	475.866	4.000	50	5		JHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)c1	ZINC000008951424	554834520	/nfs/dbraw/zinc/83/45/20/554834520.db2.gz	NZXKAZQIVBISEH-UHFFFAOYSA-N	-1	0	465.447	3.811	50	5		JHBARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1	ZINC000009634891	555341030	/nfs/dbraw/zinc/34/10/30/555341030.db2.gz	XIXCZUQBTUOCIS-UHFFFAOYSA-N	-1	0	470.507	3.723	50	5		JHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1	ZINC000009569486	555367641	/nfs/dbraw/zinc/36/76/41/555367641.db2.gz	YPKPASXXASHVCA-UHFFFAOYSA-N	-1	0	473.532	3.537	50	5		JHBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000229907299	570042282	/nfs/dbraw/zinc/04/22/82/570042282.db2.gz	GRLANHLPWDMAJR-CVDCTZTESA-N	-1	0	468.897	3.823	50	5		JHBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)c1	ZINC000245328573	570065966	/nfs/dbraw/zinc/06/59/66/570065966.db2.gz	VIKGSKDCLWACFL-DFMDOGHASA-N	-1	0	464.478	3.551	50	5		JHBARM
COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001138054	194043026	/nfs/dbraw/zinc/04/30/26/194043026.db2.gz	IFEPUZDEZBYDBZ-UHFFFAOYSA-N	-1	0	457.464	3.665	50	5		JHBARM
COc1cc(OC)c(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)cc1OC	ZINC000020492246	522785497	/nfs/dbraw/zinc/78/54/97/522785497.db2.gz	IQMJQNLEHKIRHV-UHFFFAOYSA-N	-1	0	450.407	3.924	50	5		JHBARM
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1	ZINC000023157666	527205213	/nfs/dbraw/zinc/20/52/13/527205213.db2.gz	RNZHSBDHUKQEMZ-LJQANCHMSA-N	-1	0	468.514	3.764	50	5		JHBARM
Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2[N+](=O)[O-])ccc1F	ZINC000009224178	554995648	/nfs/dbraw/zinc/99/56/48/554995648.db2.gz	CXUNFZQGGUNGSO-KBPBESRZSA-N	-1	0	485.559	3.510	50	5		JHBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1	ZINC000022854542	555960933	/nfs/dbraw/zinc/96/09/33/555960933.db2.gz	JBNGWVMCCLQLFE-FQEVSTJZSA-N	-1	0	464.551	3.879	50	5		JHBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1	ZINC000089688821	569719519	/nfs/dbraw/zinc/71/95/19/569719519.db2.gz	XGTPXEZFSIKMCA-UHFFFAOYSA-N	-1	0	499.501	3.508	50	5		JHBARM
O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000038528685	569802376	/nfs/dbraw/zinc/80/23/76/569802376.db2.gz	GLJCJFFDYXFRQX-NRFANRHFSA-N	-1	0	492.444	3.907	50	5		JHBARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1C	ZINC000003189346	194236632	/nfs/dbraw/zinc/23/66/32/194236632.db2.gz	ZLAFJNWHPIQHFD-UHFFFAOYSA-N	-1	0	450.860	3.906	50	5		JHBARM
COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC	ZINC000020492280	521895223	/nfs/dbraw/zinc/89/52/23/521895223.db2.gz	NRHZUWWJRGOJJN-UHFFFAOYSA-N	-1	0	450.407	3.924	50	5		JHBARM
COC(=O)C1=CN(c2ccc(C)c(Cl)c2)C=C(C(=O)OC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000016286139	522900092	/nfs/dbraw/zinc/90/00/92/522900092.db2.gz	BTULCFGKZMSDPJ-UHFFFAOYSA-N	-1	0	488.880	3.988	50	5		JHBARM
COC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036666275	522918023	/nfs/dbraw/zinc/91/80/23/522918023.db2.gz	ZTVCKFZMWQRGER-QGZVFWFLSA-N	-1	0	483.506	3.639	50	5		JHBARM
Nc1ccc(S(=O)(=O)c2ccc([N-]c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	ZINC000008432925	554586495	/nfs/dbraw/zinc/58/64/95/554586495.db2.gz	DSZWNQCHLSSXPH-UHFFFAOYSA-N	-1	0	459.396	3.570	50	5		JHBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1ccc(C)cc1C)C2=O	ZINC000009129374	554927578	/nfs/dbraw/zinc/92/75/78/554927578.db2.gz	FVCCLCFGVHSKBQ-RDPSFJRHSA-N	-1	0	450.495	3.642	50	5		JHBARM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H](C)C(=O)NC2CCCC2)c1	ZINC000009492903	555273730	/nfs/dbraw/zinc/27/37/30/555273730.db2.gz	BEHIAOXOCQLZKL-MRXNPFEDSA-N	-1	0	489.550	3.617	50	5		JHBARM
CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)cc([N+](=O)[O-])c1[O-]	ZINC000034848012	569666988	/nfs/dbraw/zinc/66/69/88/569666988.db2.gz	JMBIPPDTMQAQFD-UHFFFAOYSA-N	-1	0	486.452	3.551	50	5		JHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1	ZINC000089774660	569719631	/nfs/dbraw/zinc/71/96/31/569719631.db2.gz	LVCWDTGDNDOCHZ-UHFFFAOYSA-N	-1	0	467.912	3.850	50	5		JHBARM
O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009008830	194503235	/nfs/dbraw/zinc/50/32/35/194503235.db2.gz	QWRHMBFWJPHVQA-CVQXOBEKSA-N	-1	0	483.524	3.851	50	5		JHBARM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1	ZINC000020494222	526270390	/nfs/dbraw/zinc/27/03/90/526270390.db2.gz	OSRQTCYNPMWCAI-ZIAGYGMSSA-N	-1	0	479.942	3.638	50	5		JHBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2)n1	ZINC000002754736	554327915	/nfs/dbraw/zinc/32/79/15/554327915.db2.gz	AISOLSWSRVJPNE-UHFFFAOYSA-N	-1	0	461.887	3.708	50	5		JHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2)nc(C)n1	ZINC000002773690	554338175	/nfs/dbraw/zinc/33/81/75/554338175.db2.gz	HZBAROBKYDSHHY-UHFFFAOYSA-N	-1	0	461.887	3.708	50	5		JHBARM
C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c([N+](=O)[O-])c2)C1	ZINC000008825264	554713504	/nfs/dbraw/zinc/71/35/04/554713504.db2.gz	YYGHDJFKQSDBTO-MRXNPFEDSA-N	-1	0	489.575	3.969	50	5		JHBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)cc1	ZINC000009186964	554959068	/nfs/dbraw/zinc/95/90/68/554959068.db2.gz	LVGUGHMMFOGLPS-ATIYNZHBSA-N	-1	0	470.485	3.906	50	5		JHBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)c(C)c1	ZINC000009234553	555008106	/nfs/dbraw/zinc/00/81/06/555008106.db2.gz	QQAAUDGWJCCDAB-BWKNWUBXSA-N	-1	0	462.506	3.786	50	5		JHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1	ZINC000009285217	555059196	/nfs/dbraw/zinc/05/91/96/555059196.db2.gz	YWCXFLZQEHWQOD-UHFFFAOYSA-N	-1	0	463.418	3.935	50	5		JHBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c1	ZINC000009448139	555220805	/nfs/dbraw/zinc/22/08/05/555220805.db2.gz	NYFPBKFQGJVFRA-ATIYNZHBSA-N	-1	0	470.485	3.906	50	5		JHBARM
CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000137711574	569865176	/nfs/dbraw/zinc/86/51/76/569865176.db2.gz	DECWLHVNAHLOPI-YTFSRNRJSA-N	-1	0	472.457	3.604	50	5		JHBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)c(C)c1	ZINC000245326514	570064728	/nfs/dbraw/zinc/06/47/28/570064728.db2.gz	LCICRFYDKGVTOL-KICOXREZSA-N	-1	0	478.505	3.860	50	5		JHBARM
CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@H]1C(C)C	ZINC000245327747	570065570	/nfs/dbraw/zinc/06/55/70/570065570.db2.gz	QABPEIJJCONUHH-PXDATVDWSA-N	-1	0	464.522	3.907	50	5		JHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-]	ZINC000016156375	525610291	/nfs/dbraw/zinc/61/02/91/525610291.db2.gz	ZTRBARMCAYMDCO-UHFFFAOYSA-N	-1	0	465.484	3.644	50	5		JHBARM
O=[N+]([O-])c1nn(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)cc1Cl	ZINC000002731117	554315150	/nfs/dbraw/zinc/31/51/50/554315150.db2.gz	LALOSMBCEQVTTD-UHFFFAOYSA-N	-1	0	451.299	3.986	50	5		JHBARM
CS(=O)(=O)c1ccc(S([O-])=CC(=O)Oc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1	ZINC000006166267	554513913	/nfs/dbraw/zinc/51/39/13/554513913.db2.gz	GSEMCIQMXPKAFI-PMERELPUSA-N	-1	0	465.549	3.759	50	5		JHBARM
COc1ccc([C@@H]2SCCN2C(=O)c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1Br	ZINC000008826625	554716477	/nfs/dbraw/zinc/71/64/77/554716477.db2.gz	AHHVCFBYRVWLCH-KRWDZBQOSA-N	-1	0	467.297	3.952	50	5		JHBARM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1	ZINC000008927143	554824564	/nfs/dbraw/zinc/82/45/64/554824564.db2.gz	IGVPWYNMSHIQPV-UHFFFAOYSA-N	-1	0	475.866	4.000	50	5		JHBARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl	ZINC000009086977	554889252	/nfs/dbraw/zinc/88/92/52/554889252.db2.gz	IWRBZVQHWMZATG-UHFFFAOYSA-N	-1	0	451.844	3.903	50	5		JHBARM
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@@H]1c1ccccc1	ZINC000009111414	554898765	/nfs/dbraw/zinc/89/87/65/554898765.db2.gz	DQTVRLLVHDPTFZ-OFVILXPXSA-N	-1	0	456.458	3.598	50	5		JHBARM
CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@@H]1C(C)C	ZINC000009129182	554927093	/nfs/dbraw/zinc/92/70/93/554927093.db2.gz	QABPEIJJCONUHH-SQJMNOBHSA-N	-1	0	464.522	3.907	50	5		JHBARM
O=C1OCc2cc(Nc3nc4ccccc4nc3[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000009313156	555089211	/nfs/dbraw/zinc/08/92/11/555089211.db2.gz	KUSPKTGYJLPTSN-UHFFFAOYSA-N	-1	0	477.458	3.753	50	5		JHBARM
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000009335498	555102991	/nfs/dbraw/zinc/10/29/91/555102991.db2.gz	UTIGAZVCMWPPHR-INIZCTEOSA-N	-1	0	495.513	3.530	50	5		JHBARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000009562865	555364606	/nfs/dbraw/zinc/36/46/06/555364606.db2.gz	HBJPTYLOCBJIST-ZDUSSCGKSA-N	-1	0	475.504	3.641	50	5		JHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1	ZINC000009569294	555366553	/nfs/dbraw/zinc/36/65/53/555366553.db2.gz	DIMLCQYANXVRSY-UHFFFAOYSA-N	-1	0	473.532	3.537	50	5		JHBARM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1[N+](=O)[O-]	ZINC000009714641	555444259	/nfs/dbraw/zinc/44/42/59/555444259.db2.gz	YTQOKWUMGNMEEM-UHFFFAOYSA-N	-1	0	484.494	3.669	50	5		JHBARM
O=c1/c(=C\c2ccc([O-])c([N+](=O)[O-])c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1	ZINC000013895777	555643036	/nfs/dbraw/zinc/64/30/36/555643036.db2.gz	HSAIMDQWNORJNI-FJWZAKCXSA-N	-1	0	487.562	3.994	50	5		JHBARM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1ccccc1	ZINC000013955260	555659638	/nfs/dbraw/zinc/65/96/38/555659638.db2.gz	WVMFQQKAXSGMFK-BQYQJAHWSA-N	-1	0	474.267	3.904	50	5		JHBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1	ZINC000022854545	555960864	/nfs/dbraw/zinc/96/08/64/555960864.db2.gz	JBNGWVMCCLQLFE-HXUWFJFHSA-N	-1	0	464.551	3.879	50	5		JHBARM
Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000035337461	563120020	/nfs/dbraw/zinc/12/00/20/563120020.db2.gz	RELSKAQDDODSBI-UHFFFAOYSA-N	-1	0	455.448	3.655	50	5		JHBARM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000245328572	570065868	/nfs/dbraw/zinc/06/58/68/570065868.db2.gz	VIIUZRFDNPKPBJ-RCRBYDPDSA-N	-1	0	468.897	3.883	50	5		JHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2)cc1[N+](=O)[O-]	ZINC000022702647	525597809	/nfs/dbraw/zinc/59/78/09/525597809.db2.gz	OSWHOLKUEIWCJJ-UHFFFAOYSA-N	-1	0	483.502	3.705	50	5		JHBARM
O=C([O-])C1(c2ccccc2)CCN(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)CC1	ZINC000008952648	527560283	/nfs/dbraw/zinc/56/02/83/527560283.db2.gz	DGKGWIHJHWUCQG-UHFFFAOYSA-N	-1	0	457.482	3.970	50	5	biogenic	JHBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)nc(C)n1	ZINC000002084747	554030590	/nfs/dbraw/zinc/03/05/90/554030590.db2.gz	WKCQJAFQXGTFKR-UHFFFAOYSA-N	-1	0	461.887	3.708	50	5		JHBARM
O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12	ZINC000002118238	554054232	/nfs/dbraw/zinc/05/42/32/554054232.db2.gz	RNKSTJPKXBWOCP-HXUWFJFHSA-N	-1	0	451.862	3.791	50	5	biogenic	JHBARM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NC2CCCCC2)cc1	ZINC000009137272	554933118	/nfs/dbraw/zinc/93/31/18/554933118.db2.gz	VCTNZXFCEUBUID-UHFFFAOYSA-N	-1	0	479.584	3.528	50	5		JHBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1	ZINC000009235838	555009672	/nfs/dbraw/zinc/00/96/72/555009672.db2.gz	NEZXSVQJXLJOBR-WEVVVXLNSA-N	-1	0	488.294	3.882	50	5		JHBARM
O=C([O-])c1cc(N2C(=O)[C@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)ccc1Cl	ZINC000009489294	555264111	/nfs/dbraw/zinc/26/41/11/555264111.db2.gz	CKQQDWOFFFHIDO-IYZJKTGWSA-N	-1	0	474.856	3.823	50	5		JHBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	ZINC000009714721	555444588	/nfs/dbraw/zinc/44/45/88/555444588.db2.gz	ZYWZVAFONSKTPT-UHFFFAOYSA-N	-1	0	457.464	3.665	50	5		JHBARM
O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000010657279	555730733	/nfs/dbraw/zinc/73/07/33/555730733.db2.gz	GPMCGNKTVVDCIH-UHFFFAOYSA-N	-1	0	491.529	3.554	50	5		JHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)cc1Br	ZINC000095347368	569722492	/nfs/dbraw/zinc/72/24/92/569722492.db2.gz	ZUGMJLXHFYFDCQ-UHFFFAOYSA-N	-1	0	463.313	3.833	50	5		JHBARM
COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1NC(=O)OC(C)(C)C	ZINC000036395933	569775030	/nfs/dbraw/zinc/77/50/30/569775030.db2.gz	CDPAUGRDMGQHPR-UHFFFAOYSA-N	-1	0	453.473	3.760	50	5		JHBARM
COc1ccc([C@H](CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2c([O-])cc(C)oc2=O)cc1O	ZINC000253471607	570099504	/nfs/dbraw/zinc/09/95/04/570099504.db2.gz	VUXWKGRHDGSHJO-AWEZNQCLSA-N	-1	0	458.398	3.576	50	5		JHBARM
Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1	ZINC000002986302	194195501	/nfs/dbraw/zinc/19/55/01/194195501.db2.gz	CEHHMPWCPNJPQZ-UHFFFAOYSA-N	-1	0	461.521	3.813	50	5		JHBARM
O=C(Nc1ccc(Cl)cc1)C(=C([O-])c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	ZINC000003121892	194228647	/nfs/dbraw/zinc/22/86/47/194228647.db2.gz	NBZPGDLIZPQLOW-HXUWFJFHSA-N	-1	0	458.879	3.912	50	5		JHBARM
Cc1nn(Cn2ccc(-c3nnc([N-]c4ccn(Cc5ccccc5)n4)s3)n2)c(C)c1[N+](=O)[O-]	ZINC000002730924	554314942	/nfs/dbraw/zinc/31/49/42/554314942.db2.gz	XQMXMMLEJKCINN-UHFFFAOYSA-N	-1	0	476.526	3.617	50	5		JHBARM
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)c([N+](=O)[O-])c2)C1	ZINC000008826161	554715459	/nfs/dbraw/zinc/71/54/59/554715459.db2.gz	CORDXFATDDVSOU-VXGBXAGGSA-N	-1	0	494.016	3.777	50	5		JHBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1ccc(C)cc1C)C2=O	ZINC000009129377	554927591	/nfs/dbraw/zinc/92/75/91/554927591.db2.gz	FVCCLCFGVHSKBQ-GBXCKJPGSA-N	-1	0	450.495	3.642	50	5		JHBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1ccc(C)cc1C)C2=O	ZINC000009129376	554927661	/nfs/dbraw/zinc/92/76/61/554927661.db2.gz	FVCCLCFGVHSKBQ-HYBUGGRVSA-N	-1	0	450.495	3.642	50	5		JHBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1ccc(C)cc1C)C2=O	ZINC000009129373	554927665	/nfs/dbraw/zinc/92/76/65/554927665.db2.gz	FVCCLCFGVHSKBQ-YKSBVNFPSA-N	-1	0	450.495	3.642	50	5		JHBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c1	ZINC000009448141	555220752	/nfs/dbraw/zinc/22/07/52/555220752.db2.gz	NYFPBKFQGJVFRA-GJZUVCINSA-N	-1	0	470.485	3.906	50	5		JHBARM
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000100742149	569768431	/nfs/dbraw/zinc/76/84/31/569768431.db2.gz	ITHMPMZHFBGZRX-KNQAVFIVSA-N	-1	0	462.389	3.652	50	5		JHBARM
COc1cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000102780572	569823799	/nfs/dbraw/zinc/82/37/99/569823799.db2.gz	XSEMFIXIFJNPFI-UHFFFAOYSA-N	-1	0	459.495	3.541	50	5		JHBARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)c1	ZINC000245328170	570065651	/nfs/dbraw/zinc/06/56/51/570065651.db2.gz	SQORGOSFASGLRC-KICOXREZSA-N	-1	0	478.505	3.860	50	5		JHBARM
CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@H]1c1ccccc1	ZINC000245329467	570066363	/nfs/dbraw/zinc/06/63/63/570066363.db2.gz	ZGTMASBEDXBCCC-ATIYNZHBSA-N	-1	0	470.485	3.988	50	5		JHBARM
COc1ccc([C@@H](CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2c([O-])cc(C)oc2=O)cc1O	ZINC000253471609	570099484	/nfs/dbraw/zinc/09/94/84/570099484.db2.gz	VUXWKGRHDGSHJO-CQSZACIVSA-N	-1	0	458.398	3.576	50	5		JHBARM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000012411360	520633977	/nfs/dbraw/zinc/63/39/77/520633977.db2.gz	KYPHIVXJAXXJJL-SXGWCWSVSA-N	-1	0	461.427	3.513	50	5		JHBARM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1	ZINC000020494219	526319920	/nfs/dbraw/zinc/31/99/20/526319920.db2.gz	OSRQTCYNPMWCAI-KBPBESRZSA-N	-1	0	479.942	3.638	50	5		JHBARM
O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12	ZINC000002118237	554054235	/nfs/dbraw/zinc/05/42/35/554054235.db2.gz	RNKSTJPKXBWOCP-FQEVSTJZSA-N	-1	0	451.862	3.791	50	5	biogenic	JHBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)c(C)c1	ZINC000009234549	555007939	/nfs/dbraw/zinc/00/79/39/555007939.db2.gz	QQAAUDGWJCCDAB-PXDATVDWSA-N	-1	0	462.506	3.786	50	5		JHBARM
COc1cc(NC(=O)CSc2ncc(C(=O)[O-])n2-c2ccc(F)cc2)c(C)cc1[N+](=O)[O-]	ZINC000009490928	555267312	/nfs/dbraw/zinc/26/73/12/555267312.db2.gz	MOCQCLKRWFSODN-UHFFFAOYSA-N	-1	0	460.443	3.666	50	5		JHBARM
CC1CCC(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)c([N+](=O)[O-])c2)CC1	ZINC000009635031	555341291	/nfs/dbraw/zinc/34/12/91/555341291.db2.gz	KFNNJINGEZVNNA-UHFFFAOYSA-N	-1	0	494.016	3.968	50	5		JHBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccccc1	ZINC000009631014	555459294	/nfs/dbraw/zinc/45/92/94/555459294.db2.gz	WCWZBDDWBBZQRY-UHFFFAOYSA-N	-1	0	454.460	3.744	50	5		JHBARM
Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2[N+](=O)[O-])ccc1F	ZINC000013042527	556249487	/nfs/dbraw/zinc/24/94/87/556249487.db2.gz	CXUNFZQGGUNGSO-OKILXGFUSA-N	-1	0	485.559	3.510	50	5		JHBARM
O=[N+]([O-])c1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC3(CC2)OCCO3)cc1	ZINC000034871942	563117174	/nfs/dbraw/zinc/11/71/74/563117174.db2.gz	CEQWVWSXZFTIPO-QGZVFWFLSA-N	-1	0	483.506	3.593	50	5		JHBARM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)C(=C([O-])c1ccccc1O)[C@@H]1OC(=O)c2ccccc21	ZINC000100742316	569768446	/nfs/dbraw/zinc/76/84/46/569768446.db2.gz	XMMLKCLZJTUYAI-SIKLNZKXSA-N	-1	0	494.843	3.872	50	5		JHBARM
COC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036666272	569779694	/nfs/dbraw/zinc/77/96/94/569779694.db2.gz	ZTVCKFZMWQRGER-KRWDZBQOSA-N	-1	0	483.506	3.639	50	5		JHBARM
CCOc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000245325579	570064325	/nfs/dbraw/zinc/06/43/25/570064325.db2.gz	FWTKOEFFKWYWBX-SVIAQXTKSA-N	-1	0	494.504	3.642	50	5		JHBARM
CCc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000245327718	570065334	/nfs/dbraw/zinc/06/53/34/570065334.db2.gz	PSGOFQVCFAYQCT-SVIAQXTKSA-N	-1	0	478.505	3.805	50	5		JHBARM