smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000001166805	194057904	/nfs/dbraw/zinc/05/79/04/194057904.db2.gz	JIRRCQBBOODTNB-AWNIVKPZSA-N	0	1	483.502	4.065	50	5		JIBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1	ZINC000009891971	195015718	/nfs/dbraw/zinc/01/57/18/195015718.db2.gz	AQYLZFAAMVSOIX-UHFFFAOYSA-N	0	1	475.936	4.366	50	5		JIBAMN
O=[N+]([O-])c1ccccc1-c1nnc2c3ccccc3nc(N3CCN(Cc4ccccc4)CC3)n21	ZINC000096497209	130107310	/nfs/dbraw/zinc/10/73/10/130107310.db2.gz	BCJDIWSAELITCF-UHFFFAOYSA-N	0	1	465.517	4.175	50	5		JIBAMN
COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc21	ZINC000004130709	523971082	/nfs/dbraw/zinc/97/10/82/523971082.db2.gz	KMNACCDNUZGOPC-UHFFFAOYSA-N	0	1	484.486	4.407	50	5		JIBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000016115830	527261542	/nfs/dbraw/zinc/26/15/42/527261542.db2.gz	VVXKHNVEGZRMTL-UHFFFAOYSA-N	0	1	476.308	4.410	50	5		JIBAMN
COc1ccc(C(=O)[C@H]2[C@H](c3ccc(N(C)C)cc3)C([N+](=O)[O-])[C@H]3c4ccccc4C=NN32)cc1	ZINC000009076030	554887241	/nfs/dbraw/zinc/88/72/41/554887241.db2.gz	YKPVISPEXRXLGY-VEYUFSJPSA-N	0	1	470.529	4.146	50	5		JIBAMN
CCOc1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000013522462	555486234	/nfs/dbraw/zinc/48/62/34/555486234.db2.gz	VZBNWEHABNNULO-UHFFFAOYSA-N	0	1	474.561	4.339	50	5		JIBAMN
CCOc1ccc([C@@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000027522825	556286896	/nfs/dbraw/zinc/28/68/96/556286896.db2.gz	AOSFSOFEDLEJOB-PKTZIBPZSA-N	0	1	471.469	4.055	50	5		JIBAMN
CCOc1ccc([C@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2)cc1	ZINC000027522991	556287468	/nfs/dbraw/zinc/28/74/68/556287468.db2.gz	NINQCOUSPLUWOS-FCHUYYIVSA-N	0	1	491.887	4.400	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1ccc(F)cc1	ZINC000027527644	556288846	/nfs/dbraw/zinc/28/88/46/556288846.db2.gz	VQZGCQWZTOLSBV-RTWAWAEBSA-N	0	1	479.851	4.448	50	5		JIBAMN
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000057222826	569594736	/nfs/dbraw/zinc/59/47/36/569594736.db2.gz	ZLKDQMQYEWSJLG-UHFFFAOYSA-N	0	1	488.544	4.264	50	5		JIBAMN
CSc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	ZINC000089493836	569718798	/nfs/dbraw/zinc/71/87/98/569718798.db2.gz	VSIXABDKBDKAEW-UHFFFAOYSA-N	0	1	482.528	4.278	50	5		JIBAMN
O=[N+]([O-])c1ccc(-n2c(O)c3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2O)cc1	ZINC000101070633	569781276	/nfs/dbraw/zinc/78/12/76/569781276.db2.gz	GCJGOOWWYFJDCR-PZJWPPBQSA-N	0	1	491.301	4.140	50	5		JIBAMN
Cc1c(Cl)cccc1-n1c(O)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2c1O	ZINC000101235925	569787744	/nfs/dbraw/zinc/78/77/44/569787744.db2.gz	DTWVLULITKZTEH-UNMCSNQZSA-N	0	1	460.877	4.339	50	5		JIBAMN
CCCC(=O)Oc1cn(CCCN2CCOCC2)c2nc(CCC)n3c4ccccc4nc3c12	ZINC000020403661	519881132	/nfs/dbraw/zinc/88/11/32/519881132.db2.gz	TYOTZYIJAUUUEK-UHFFFAOYSA-N	0	1	463.582	4.218	50	5		JIBAMN
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN[C@@H](C)c2ccccc2)cc1	ZINC000020155051	521513461	/nfs/dbraw/zinc/51/34/61/521513461.db2.gz	RMKLZNKLJOCGHL-KRWDZBQOSA-N	0	1	490.516	4.313	50	5		JIBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000008974517	554846045	/nfs/dbraw/zinc/84/60/45/554846045.db2.gz	PDOWDAVQWWOSJZ-XMSQKQJNSA-N	0	1	454.870	4.273	50	5		JIBAMN
COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000009444317	555217419	/nfs/dbraw/zinc/21/74/19/555217419.db2.gz	LHSJSCUQEGHRCQ-UHFFFAOYSA-N	0	1	491.909	4.319	50	5		JIBAMN
O=C(N[C@@H]1CCSc2ccccc21)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009467947	555246215	/nfs/dbraw/zinc/24/62/15/555246215.db2.gz	FSJVAUUWNGBPOI-HXUWFJFHSA-N	0	1	469.544	4.363	50	5		JIBAMN
O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000032796863	556495737	/nfs/dbraw/zinc/49/57/37/556495737.db2.gz	UZNAEYQEIFWLIQ-UHFFFAOYSA-N	0	1	452.474	4.313	50	5		JIBAMN
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000057222668	569594734	/nfs/dbraw/zinc/59/47/34/569594734.db2.gz	HHZJIZDXLLRWIG-UHFFFAOYSA-N	0	1	488.544	4.264	50	5		JIBAMN
COc1ccccc1[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)N1CCCCC1	ZINC000068734294	569691927	/nfs/dbraw/zinc/69/19/27/569691927.db2.gz	HJQUAVWZSCWVDA-XMMPIXPASA-N	0	1	491.592	4.422	50	5		JIBAMN
O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000035871005	569718438	/nfs/dbraw/zinc/71/84/38/569718438.db2.gz	ZUVHMSNDFHCNEA-AOYPEHQESA-N	0	1	492.526	4.053	50	5		JIBAMN
O=[N+]([O-])c1ccc(-n2c(O)c3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2O)cc1	ZINC000100871336	569772974	/nfs/dbraw/zinc/77/29/74/569772974.db2.gz	GCJGOOWWYFJDCR-CTNGQTDRSA-N	0	1	491.301	4.140	50	5		JIBAMN
CCc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101130521	569784014	/nfs/dbraw/zinc/78/40/14/569784014.db2.gz	INKGUAIAJDNUEY-ZRBLBEILSA-N	0	1	461.449	4.347	50	5		JIBAMN
CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)[C@H]1CC	ZINC000245324897	570064123	/nfs/dbraw/zinc/06/41/23/570064123.db2.gz	BXYJUGBSFJFRSE-HYBUGGRVSA-N	0	1	484.940	4.377	50	5		JIBAMN
O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Br	ZINC000001196239	194067403	/nfs/dbraw/zinc/06/74/03/194067403.db2.gz	LWNNJKPKCNHMLU-UHFFFAOYSA-N	0	1	476.308	4.410	50	5		JIBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2cccs2)N1c1cccc(C(F)(F)F)c1	ZINC000002475733	527112610	/nfs/dbraw/zinc/11/26/10/527112610.db2.gz	SYMQLEWRCNPRMF-ZWKOTPCHSA-N	0	1	487.415	4.428	50	5		JIBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1	ZINC000002462799	554223892	/nfs/dbraw/zinc/22/38/92/554223892.db2.gz	NSVYZJLEMRLKSC-VQTJNVASSA-N	0	1	465.824	4.140	50	5		JIBAMN
Cc1cc(NC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c([N+](=O)[O-])cc1C	ZINC000009781034	555501082	/nfs/dbraw/zinc/50/10/82/555501082.db2.gz	NJRFQECTXFKNDE-UHFFFAOYSA-N	0	1	462.329	4.490	50	5		JIBAMN
Cc1ccc([C@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1	ZINC000027527608	556288738	/nfs/dbraw/zinc/28/87/38/556288738.db2.gz	UAQIJDPSPVGJOH-VXKWHMMOSA-N	0	1	459.433	4.103	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2ccccc2F)cc1Cl	ZINC000027527649	556288780	/nfs/dbraw/zinc/28/87/80/556288780.db2.gz	NHIPFDZVSDHXIO-SFTDATJTSA-N	0	1	479.851	4.448	50	5		JIBAMN
O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1	ZINC000034681705	569643538	/nfs/dbraw/zinc/64/35/38/569643538.db2.gz	UKZGQLSFVAEWSU-UHFFFAOYSA-N	0	1	495.967	4.373	50	5		JIBAMN
CCCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000096422929	569740420	/nfs/dbraw/zinc/74/04/20/569740420.db2.gz	QSDFPBHVIDLNRY-NDENLUEZSA-N	0	1	481.896	4.185	50	5		JIBAMN
O=C1C2=C(c3ccc([N+](=O)[O-])cc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000101076261	569781665	/nfs/dbraw/zinc/78/16/65/569781665.db2.gz	FCBMYJPMGQJIJY-FPOVZHCZSA-N	0	1	491.301	4.140	50	5		JIBAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)O4)cc1O	ZINC000217659024	569880922	/nfs/dbraw/zinc/88/09/22/569880922.db2.gz	UJRKJUVDSDZYQG-OAHLLOKOSA-N	0	1	475.409	4.229	50	5	biogenic	JIBAMN
CCOC(=O)c1sc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C	ZINC000005940443	521614399	/nfs/dbraw/zinc/61/43/99/521614399.db2.gz	BLLNLMMYMXLARB-UHFFFAOYSA-N	0	1	489.531	4.195	50	5		JIBAMN
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000000808530	553784746	/nfs/dbraw/zinc/78/47/46/553784746.db2.gz	TZQQVKKNNLYBDS-UHFFFAOYSA-N	0	1	466.924	4.190	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2cccs2)cc1Cl	ZINC000002462753	554223584	/nfs/dbraw/zinc/22/35/84/554223584.db2.gz	MIKULNNFRSSBMY-RBUKOAKNSA-N	0	1	467.890	4.371	50	5		JIBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)n1	ZINC000002836733	554370384	/nfs/dbraw/zinc/37/03/84/554370384.db2.gz	XHNVQKMVYSHYEQ-UHFFFAOYSA-N	0	1	495.561	4.253	50	5		JIBAMN
CCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)[C@@H]1CC	ZINC000009433955	555204289	/nfs/dbraw/zinc/20/42/89/555204289.db2.gz	QPSPXPBDNQUPDE-RDPSFJRHSA-N	0	1	484.940	4.377	50	5		JIBAMN
CCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)[C@@H]1CC	ZINC000009433997	555204647	/nfs/dbraw/zinc/20/46/47/555204647.db2.gz	BXYJUGBSFJFRSE-RDPSFJRHSA-N	0	1	484.940	4.377	50	5		JIBAMN
CN(C)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCCO3	ZINC000010066005	555614033	/nfs/dbraw/zinc/61/40/33/555614033.db2.gz	BJAOANFCWHQJAX-UHFFFAOYSA-N	0	1	484.559	4.399	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020133475	555657924	/nfs/dbraw/zinc/65/79/24/555657924.db2.gz	VHERMKIQOSCTNL-IBGZPJMESA-N	0	1	451.508	4.331	50	5		JIBAMN
Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1ccc(F)cc1	ZINC000034139304	569639719	/nfs/dbraw/zinc/63/97/19/569639719.db2.gz	KZTPNTBAMJGOAW-NHCUHLMSSA-N	0	1	479.851	4.448	50	5		JIBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN32)cc1	ZINC000034847915	569667066	/nfs/dbraw/zinc/66/70/66/569667066.db2.gz	FHSJOLPRYSEWQK-RCTAOEEJSA-N	0	1	457.486	4.089	50	5		JIBAMN
CC(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677509	569868686	/nfs/dbraw/zinc/86/86/86/569868686.db2.gz	RWBHFHDWBSSXGJ-VWNXMTODSA-N	0	1	471.001	4.274	50	5		JIBAMN
CC(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677510	569868701	/nfs/dbraw/zinc/86/87/01/569868701.db2.gz	RWBHFHDWBSSXGJ-UPVQGACJSA-N	0	1	471.001	4.274	50	5		JIBAMN
CCOC(=O)C1=CN([C@@H](C)c2ccccc2)C=C(C(=O)OCC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000016426593	520543950	/nfs/dbraw/zinc/54/39/50/520543950.db2.gz	VYHIYFHAXAMNAC-INIZCTEOSA-N	0	1	496.516	4.363	50	5		JIBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2cccs2)N1c1cccc(C(F)(F)F)c1	ZINC000027527434	527105670	/nfs/dbraw/zinc/10/56/70/527105670.db2.gz	KWNKYFPTZSCBNK-MSOLQXFVSA-N	0	1	487.415	4.428	50	5		JIBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)[C@@H]1CCC	ZINC000009187833	554960175	/nfs/dbraw/zinc/96/01/75/554960175.db2.gz	APQABWGNSBLSMG-BKMJKUGQSA-N	0	1	494.548	4.204	50	5		JIBAMN
O=C(N[C@H]1CCSc2ccccc21)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009467949	555246167	/nfs/dbraw/zinc/24/61/67/555246167.db2.gz	FSJVAUUWNGBPOI-FQEVSTJZSA-N	0	1	469.544	4.363	50	5		JIBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000009714711	555444651	/nfs/dbraw/zinc/44/46/51/555444651.db2.gz	DNTRMTBVONKRLK-UHFFFAOYSA-N	0	1	461.883	4.310	50	5		JIBAMN
CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000057222990	569594869	/nfs/dbraw/zinc/59/48/69/569594869.db2.gz	IESSMZCAHPMEHT-UHFFFAOYSA-N	0	1	488.544	4.346	50	5		JIBAMN
Cc1ccc2oc3cc(NCCCN4CCN(C)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1	ZINC000101061728	569780826	/nfs/dbraw/zinc/78/08/26/569780826.db2.gz	HAYSTKBWILZNGM-UHFFFAOYSA-N	0	1	482.584	4.299	50	5		JIBAMN
Cn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000009959396	195038143	/nfs/dbraw/zinc/03/81/43/195038143.db2.gz	IXCHZMKIRMEGAA-UHFFFAOYSA-N	0	1	484.560	4.052	50	5		JIBAMN
O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000020663359	195197047	/nfs/dbraw/zinc/19/70/47/195197047.db2.gz	OXKJGBDNLGUKCM-UHFFFAOYSA-N	0	1	491.316	4.055	50	5		JIBAMN
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000016128692	525088291	/nfs/dbraw/zinc/08/82/91/525088291.db2.gz	UEAMUXRJRHXFOZ-UHFFFAOYSA-N	0	1	461.883	4.310	50	5		JIBAMN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	ZINC000012525850	525930714	/nfs/dbraw/zinc/93/07/14/525930714.db2.gz	HOBHXIRQVXFBQP-UHFFFAOYSA-N	0	1	481.939	4.158	50	5		JIBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1	ZINC000002462797	554223973	/nfs/dbraw/zinc/22/39/73/554223973.db2.gz	NSVYZJLEMRLKSC-PMACEKPBSA-N	0	1	465.824	4.140	50	5		JIBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN32)cc1	ZINC000008971436	554844017	/nfs/dbraw/zinc/84/40/17/554844017.db2.gz	FHSJOLPRYSEWQK-ROHNOIKCSA-N	0	1	457.486	4.089	50	5		JIBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN32)cc1	ZINC000009108555	554897236	/nfs/dbraw/zinc/89/72/36/554897236.db2.gz	YKPVISPEXRXLGY-ZJSPYRCASA-N	0	1	470.529	4.146	50	5		JIBAMN
O=C(Nc1ncc(Cl)cc1Cl)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000009335487	555102909	/nfs/dbraw/zinc/10/29/09/555102909.db2.gz	XGXRULXCCPHMKI-UHFFFAOYSA-N	0	1	467.290	4.350	50	5		JIBAMN
CC(=O)[C@@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12	ZINC000009357820	555122444	/nfs/dbraw/zinc/12/24/44/555122444.db2.gz	HVBIPJRYXMKNMB-YIPGRGJBSA-N	0	1	493.519	4.465	50	5		JIBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c(C)c1	ZINC000009446570	555219603	/nfs/dbraw/zinc/21/96/03/555219603.db2.gz	OMTYQVAQPCYTCY-YIXXDRMTSA-N	0	1	484.512	4.215	50	5		JIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1OC	ZINC000016037596	556119857	/nfs/dbraw/zinc/11/98/57/556119857.db2.gz	GGDLLVHIXFVNHN-ZYQDXHPFSA-N	0	1	457.486	4.089	50	5		JIBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2)cc1[N+](=O)[O-]	ZINC000026001424	556240006	/nfs/dbraw/zinc/24/00/06/556240006.db2.gz	VMNXSIIOVJGWEC-OAQYLSRUSA-N	0	1	466.519	4.076	50	5		JIBAMN
Cc1ccc([C@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1	ZINC000027527606	556288757	/nfs/dbraw/zinc/28/87/57/556288757.db2.gz	UAQIJDPSPVGJOH-FCHUYYIVSA-N	0	1	459.433	4.103	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1ccc(F)cc1	ZINC000027527643	556288865	/nfs/dbraw/zinc/28/88/65/556288865.db2.gz	VQZGCQWZTOLSBV-SFTDATJTSA-N	0	1	479.851	4.448	50	5		JIBAMN
CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034831253	569664101	/nfs/dbraw/zinc/66/41/01/569664101.db2.gz	HBZSZMHRFZNBGY-UHFFFAOYSA-N	0	1	494.571	4.032	50	5		JIBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000102738384	569818916	/nfs/dbraw/zinc/81/89/16/569818916.db2.gz	TVXUPODSUZCLEI-YPAWHYETSA-N	0	1	479.876	4.308	50	5		JIBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)n1	ZINC000001893759	194153040	/nfs/dbraw/zinc/15/30/40/194153040.db2.gz	OSMULYVMXGIFLI-UHFFFAOYSA-N	0	1	483.531	4.269	50	5		JIBAMN
COc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1NS(=O)(=O)c1ccc(F)cc1	ZINC000033404969	524452529	/nfs/dbraw/zinc/45/25/29/524452529.db2.gz	VYQUBOHNIOLTTN-PQMHYQBVSA-N	0	1	471.466	4.195	50	5		JIBAMN
O=C(Cc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)c1ccc([N+](=O)[O-])cc1	ZINC000020392785	527344646	/nfs/dbraw/zinc/34/46/46/527344646.db2.gz	WIMGGGYTWBNKEN-UHFFFAOYSA-N	0	1	489.557	4.289	50	5		JIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3c4ccccc4C=NN3[C@@H]2C(=O)c2ccccc2)cc1OC	ZINC000009271987	555044779	/nfs/dbraw/zinc/04/47/79/555044779.db2.gz	GGDLLVHIXFVNHN-NDBXHCKUSA-N	0	1	457.486	4.089	50	5		JIBAMN
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1NS(=O)(=O)c1ccc(F)cc1	ZINC000009284460	555057599	/nfs/dbraw/zinc/05/75/99/555057599.db2.gz	UMCHISOOYPNIGB-UHFFFAOYSA-N	0	1	459.455	4.104	50	5		JIBAMN
COCCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000009427088	555191866	/nfs/dbraw/zinc/19/18/66/555191866.db2.gz	YEPSHKVKWUBXJJ-NRFANRHFSA-N	0	1	495.561	4.266	50	5		JIBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nn(Cc3ccccc3Cl)cc2Br)c1	ZINC000013959809	555662784	/nfs/dbraw/zinc/66/27/84/555662784.db2.gz	NOSILKRXSZYIEG-UHFFFAOYSA-N	0	1	471.720	4.056	50	5		JIBAMN
CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000027522814	556286972	/nfs/dbraw/zinc/28/69/72/556286972.db2.gz	XWZCOXLKXCJOHZ-FGZHOGPDSA-N	0	1	491.887	4.400	50	5		JIBAMN
Cc1ccc([C@@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1	ZINC000027527607	556288764	/nfs/dbraw/zinc/28/87/64/556288764.db2.gz	UAQIJDPSPVGJOH-YADHBBJMSA-N	0	1	459.433	4.103	50	5		JIBAMN
Cc1ccc([C@@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1	ZINC000027527605	556288904	/nfs/dbraw/zinc/28/89/04/556288904.db2.gz	UAQIJDPSPVGJOH-FGZHOGPDSA-N	0	1	459.433	4.103	50	5		JIBAMN
Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1ccc(F)cc1	ZINC000027527686	556289185	/nfs/dbraw/zinc/28/91/85/556289185.db2.gz	DXYVWLRKRRVPTM-NHCUHLMSSA-N	0	1	479.851	4.448	50	5		JIBAMN
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1	ZINC000057222829	569594730	/nfs/dbraw/zinc/59/47/30/569594730.db2.gz	SEWAREYODAZHMR-UHFFFAOYSA-N	0	1	488.544	4.264	50	5		JIBAMN
CCc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102749457	569820645	/nfs/dbraw/zinc/82/06/45/569820645.db2.gz	INKGUAIAJDNUEY-DNVJHFABSA-N	0	1	461.449	4.347	50	5		JIBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000227233019	570040202	/nfs/dbraw/zinc/04/02/02/570040202.db2.gz	TVXUPODSUZCLEI-BHDDXSALSA-N	0	1	479.876	4.308	50	5		JIBAMN
CC(=O)[C@@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12	ZINC000229665592	570041016	/nfs/dbraw/zinc/04/10/16/570041016.db2.gz	WVFGNIMBQFZYTP-FQJHJXCSSA-N	0	1	479.492	4.157	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(F)c3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020849800	195230790	/nfs/dbraw/zinc/23/07/90/195230790.db2.gz	JFLSXYYCTQPQNL-LJQANCHMSA-N	0	1	469.498	4.470	50	5		JIBAMN
CCOc1ccc([C@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1	ZINC000002475677	521275555	/nfs/dbraw/zinc/27/55/55/521275555.db2.gz	WXIFSHFMVZTHFO-XZOQPEGZSA-N	0	1	489.459	4.194	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2cccs2)cc1Cl	ZINC000002462759	554223562	/nfs/dbraw/zinc/22/35/62/554223562.db2.gz	MIKULNNFRSSBMY-MOPGFXCFSA-N	0	1	467.890	4.371	50	5		JIBAMN
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002864418	554390965	/nfs/dbraw/zinc/39/09/65/554390965.db2.gz	VXJFIJPFLUWXDW-UHFFFAOYSA-N	0	1	481.939	4.158	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020133999	555658486	/nfs/dbraw/zinc/65/84/86/555658486.db2.gz	OOODOQDCWQCEFS-LJQANCHMSA-N	0	1	451.508	4.331	50	5		JIBAMN
COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)N2CCCCC2)cc1	ZINC000068838410	569692595	/nfs/dbraw/zinc/69/25/95/569692595.db2.gz	AREQXKKVLYDOIL-HSZRJFAPSA-N	0	1	488.610	4.027	50	5		JIBAMN
O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000104916282	569846878	/nfs/dbraw/zinc/84/68/78/569846878.db2.gz	ZUVHMSNDFHCNEA-RSXGOPAZSA-N	0	1	492.526	4.053	50	5		JIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1OC	ZINC000248126340	570074843	/nfs/dbraw/zinc/07/48/43/570074843.db2.gz	GGDLLVHIXFVNHN-OJJQZRKESA-N	0	1	457.486	4.089	50	5		JIBAMN
O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000003014705	194207025	/nfs/dbraw/zinc/20/70/25/194207025.db2.gz	AQPRDECDHZPKBP-UHFFFAOYSA-N	0	1	476.308	4.410	50	5		JIBAMN
Cc1cc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC(=O)NC1CCCCC1	ZINC000016320103	524850111	/nfs/dbraw/zinc/85/01/11/524850111.db2.gz	PTYKLIRPKBJVON-UHFFFAOYSA-N	0	1	481.958	4.185	50	5		JIBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)n1	ZINC000000947842	553879908	/nfs/dbraw/zinc/87/99/08/553879908.db2.gz	JXAOCLNPVFWZQO-UHFFFAOYSA-N	0	1	486.509	4.098	50	5		JIBAMN
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl	ZINC000002871920	554396185	/nfs/dbraw/zinc/39/61/85/554396185.db2.gz	UKEHBCJGKGSNMO-UHFFFAOYSA-N	0	1	481.939	4.158	50	5		JIBAMN
CC(=O)[C@@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21	ZINC000009282625	555052185	/nfs/dbraw/zinc/05/21/85/555052185.db2.gz	HVBIPJRYXMKNMB-GFQWBHFJSA-N	0	1	493.519	4.465	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2ccc(F)cc2)cc1Cl	ZINC000027527529	556288600	/nfs/dbraw/zinc/28/86/00/556288600.db2.gz	VUMMGKTWYXZXEG-RTWAWAEBSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1ccc(F)cc1	ZINC000034139302	569639686	/nfs/dbraw/zinc/63/96/86/569639686.db2.gz	KZTPNTBAMJGOAW-RTWAWAEBSA-N	0	1	479.851	4.448	50	5		JIBAMN
CCNc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1[N+](=O)[O-]	ZINC000009957449	195037129	/nfs/dbraw/zinc/03/71/29/195037129.db2.gz	XSMDUDOZEAWGPN-UHFFFAOYSA-N	0	1	470.507	4.088	50	5		JIBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1[N+](=O)[O-]	ZINC000008384494	554567621	/nfs/dbraw/zinc/56/76/21/554567621.db2.gz	NOUSZNTYLBIONX-UHFFFAOYSA-N	0	1	495.966	4.467	50	5		JIBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1CCC	ZINC000009266270	555042528	/nfs/dbraw/zinc/04/25/28/555042528.db2.gz	GTBMSCKDIOWVRK-SQJMNOBHSA-N	0	1	464.522	4.196	50	5		JIBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1CCC	ZINC000009510637	555300093	/nfs/dbraw/zinc/30/00/93/555300093.db2.gz	YAWCTUFQIZDGAG-SQJMNOBHSA-N	0	1	482.512	4.335	50	5		JIBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1	ZINC000009714632	555444323	/nfs/dbraw/zinc/44/43/23/555444323.db2.gz	DSMWEGQCOFFMLB-UHFFFAOYSA-N	0	1	453.524	4.233	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020133910	555658126	/nfs/dbraw/zinc/65/81/26/555658126.db2.gz	DBVZHAQPFXQLIG-IBGZPJMESA-N	0	1	469.498	4.470	50	5		JIBAMN
COc1cccc([C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)N2CCCC2)c1	ZINC000013068682	556265073	/nfs/dbraw/zinc/26/50/73/556265073.db2.gz	DCOUFTXGUPWESC-RUZDIDTESA-N	0	1	466.582	4.407	50	5		JIBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000018141734	556293272	/nfs/dbraw/zinc/29/32/72/556293272.db2.gz	TVXUPODSUZCLEI-VSKRKVRLSA-N	0	1	479.876	4.308	50	5		JIBAMN
CC[C@H](C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870342	569718357	/nfs/dbraw/zinc/71/83/57/569718357.db2.gz	IVRWSTOPOOHKEF-JFJYTDJESA-N	0	1	456.974	4.026	50	5		JIBAMN
O=C(NCc1cccc(F)c1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169677113	569868447	/nfs/dbraw/zinc/86/84/47/569868447.db2.gz	ZUVHMSNDFHCNEA-AHWVRZQESA-N	0	1	492.526	4.053	50	5		JIBAMN
COc1ccc(S(=O)(=O)c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C)c(C)c2O)cc1	ZINC000003620706	194341936	/nfs/dbraw/zinc/34/19/36/194341936.db2.gz	UKHAURAMAQSNSH-UHFFFAOYSA-N	0	1	456.476	4.011	50	5		JIBAMN
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]12	ZINC000102790961	130304746	/nfs/dbraw/zinc/30/47/46/130304746.db2.gz	AODBAAYJCSXDOF-BSCPBZPOSA-N	0	1	488.544	4.194	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020133472	520506181	/nfs/dbraw/zinc/50/61/81/520506181.db2.gz	VHERMKIQOSCTNL-LJQANCHMSA-N	0	1	451.508	4.331	50	5		JIBAMN
COC(=O)c1cnc(Sc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000012370035	522342310	/nfs/dbraw/zinc/34/23/10/522342310.db2.gz	AYAVHGIRQVCCOC-UHFFFAOYSA-N	0	1	479.923	4.382	50	5		JIBAMN
CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000008606716	523187481	/nfs/dbraw/zinc/18/74/81/523187481.db2.gz	XQATVQYODUWDAR-UHFFFAOYSA-N	0	1	451.527	4.214	50	5		JIBAMN
Cc1ccc(-c2nn(-c3cc(N4CCN(C)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1	ZINC000009271758	525836936	/nfs/dbraw/zinc/83/69/36/525836936.db2.gz	MTZYZAOSBCTCKF-UHFFFAOYSA-N	0	1	455.518	4.021	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2cccs2)cc1Cl	ZINC000002462755	554223533	/nfs/dbraw/zinc/22/35/33/554223533.db2.gz	MIKULNNFRSSBMY-OALUTQOASA-N	0	1	467.890	4.371	50	5		JIBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1CCC	ZINC000009266271	555042651	/nfs/dbraw/zinc/04/26/51/555042651.db2.gz	GTBMSCKDIOWVRK-OFVILXPXSA-N	0	1	464.522	4.196	50	5		JIBAMN
CC(=O)[C@@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21	ZINC000009357824	555122459	/nfs/dbraw/zinc/12/24/59/555122459.db2.gz	HVBIPJRYXMKNMB-GSTLAZBSSA-N	0	1	493.519	4.465	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020134002	555658501	/nfs/dbraw/zinc/65/85/01/555658501.db2.gz	OOODOQDCWQCEFS-IBGZPJMESA-N	0	1	451.508	4.331	50	5		JIBAMN
CCOc1ccc([C@@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000027522822	556286936	/nfs/dbraw/zinc/28/69/36/556286936.db2.gz	AOSFSOFEDLEJOB-DHIUTWEWSA-N	0	1	471.469	4.055	50	5		JIBAMN
CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034814845	569662905	/nfs/dbraw/zinc/66/29/05/569662905.db2.gz	IVMZDDOUIVNWRN-UHFFFAOYSA-N	0	1	490.608	4.283	50	5		JIBAMN
O=[N+]([O-])c1ccc(-n2c(O)c3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2O)cc1	ZINC000101070631	569781227	/nfs/dbraw/zinc/78/12/27/569781227.db2.gz	GCJGOOWWYFJDCR-TZIWHRDSSA-N	0	1	491.301	4.140	50	5		JIBAMN
COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000001196464	194067418	/nfs/dbraw/zinc/06/74/18/194067418.db2.gz	RNFJTPJTPAFRSY-UHFFFAOYSA-N	0	1	461.883	4.310	50	5		JIBAMN
COc1ccccc1N1C(=O)NC(=O)[C@@](CCc2ccccn2)(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000016293463	524535541	/nfs/dbraw/zinc/53/55/41/524535541.db2.gz	JIOBGFYZMGKNDA-RUZDIDTESA-N	0	1	474.473	4.283	50	5		JIBAMN
COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1NS(=O)(=O)c1ccc(F)cc1	ZINC000002619548	554244248	/nfs/dbraw/zinc/24/42/48/554244248.db2.gz	PVFJIZNMMSRYTJ-UHFFFAOYSA-N	0	1	491.522	4.274	50	5		JIBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000009355991	555120818	/nfs/dbraw/zinc/12/08/18/555120818.db2.gz	RCPNKCXJMDSTEN-UHFFFAOYSA-N	0	1	461.883	4.310	50	5		JIBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1	ZINC000009714676	555444366	/nfs/dbraw/zinc/44/43/66/555444366.db2.gz	AURKSCUCYWGCQR-UHFFFAOYSA-N	0	1	453.524	4.151	50	5		JIBAMN
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@H]1c1ccccc1	ZINC000016975733	556193845	/nfs/dbraw/zinc/19/38/45/556193845.db2.gz	DQTVRLLVHDPTFZ-BWKNWUBXSA-N	0	1	456.458	4.438	50	5		JIBAMN
CCOc1ccc([C@@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2)cc1	ZINC000027522993	556287473	/nfs/dbraw/zinc/28/74/73/556287473.db2.gz	NINQCOUSPLUWOS-YADHBBJMSA-N	0	1	491.887	4.400	50	5		JIBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2cccs2)N1c1cccc(C(F)(F)F)c1	ZINC000027527431	556287653	/nfs/dbraw/zinc/28/76/53/556287653.db2.gz	KWNKYFPTZSCBNK-ZWKOTPCHSA-N	0	1	487.415	4.428	50	5		JIBAMN
CC(=O)[C@@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21	ZINC000253386458	570095232	/nfs/dbraw/zinc/09/52/32/570095232.db2.gz	WVFGNIMBQFZYTP-NXNJFABFSA-N	0	1	479.492	4.157	50	5		JIBAMN
CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCc2ccccc2C1	ZINC000058305449	195376665	/nfs/dbraw/zinc/37/66/65/195376665.db2.gz	WJWRQKYIKBNINA-UHFFFAOYSA-N	0	1	451.445	4.103	50	5		JIBAMN
CCOc1ccc([C@@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2)cc1	ZINC000027522989	556287482	/nfs/dbraw/zinc/28/74/82/556287482.db2.gz	NINQCOUSPLUWOS-FGZHOGPDSA-N	0	1	491.887	4.400	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2ccc(F)cc2)cc1Cl	ZINC000027527527	556288114	/nfs/dbraw/zinc/28/81/14/556288114.db2.gz	VUMMGKTWYXZXEG-NHCUHLMSSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cn1c2ccccc2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1=O	ZINC000019288183	556337752	/nfs/dbraw/zinc/33/77/52/556337752.db2.gz	XIVOLEKHEMYRBO-UHFFFAOYSA-N	0	1	454.530	4.358	50	5		JIBAMN
O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1	ZINC000032778236	556492998	/nfs/dbraw/zinc/49/29/98/556492998.db2.gz	YKOVKXIGLOLJLG-UHFFFAOYSA-N	0	1	452.492	4.266	50	5		JIBAMN
CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc([N+](=O)[O-])o2)CC1	ZINC000065329808	569674885	/nfs/dbraw/zinc/67/48/85/569674885.db2.gz	DOFCQXWYWNPWJZ-UHFFFAOYSA-N	0	1	498.536	4.149	50	5		JIBAMN
C[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12)c1ccccc1	ZINC000035870387	569718265	/nfs/dbraw/zinc/71/82/65/569718265.db2.gz	WZNBBAUNUWMONR-DNKZPPIMSA-N	0	1	488.563	4.474	50	5		JIBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000230046152	570044047	/nfs/dbraw/zinc/04/40/47/570044047.db2.gz	PKJIPIZXNZKINJ-PGRDOPGGSA-N	0	1	454.870	4.273	50	5		JIBAMN
CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000009908023	195018899	/nfs/dbraw/zinc/01/88/99/195018899.db2.gz	KQPJJZYWFSRKAA-UHFFFAOYSA-N	0	1	492.532	4.426	50	5		JIBAMN
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]12	ZINC000102790963	130304788	/nfs/dbraw/zinc/30/47/88/130304788.db2.gz	AODBAAYJCSXDOF-LQIWJUJESA-N	0	1	488.544	4.194	50	5		JIBAMN
Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000002860319	554386724	/nfs/dbraw/zinc/38/67/24/554386724.db2.gz	QODBZRLZYHSDIU-UHFFFAOYSA-N	0	1	480.951	4.499	50	5		JIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@@H]2C(=O)c2ccccc2)cc1OC	ZINC000008972041	554844226	/nfs/dbraw/zinc/84/42/26/554844226.db2.gz	GGDLLVHIXFVNHN-QORCZRPOSA-N	0	1	457.486	4.089	50	5		JIBAMN
CC(=O)[C@@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21	ZINC000008974853	554846320	/nfs/dbraw/zinc/84/63/20/554846320.db2.gz	WVFGNIMBQFZYTP-PAHOUZJPSA-N	0	1	479.492	4.157	50	5		JIBAMN
Cc1ccc(C)c(-c2nn(-c3cc(N4CCN(C)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)c1	ZINC000009720914	555452812	/nfs/dbraw/zinc/45/28/12/555452812.db2.gz	DWIWRLWXZBCHFJ-UHFFFAOYSA-N	0	1	469.545	4.330	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020134197	555658704	/nfs/dbraw/zinc/65/87/04/555658704.db2.gz	PTWCJLJSIJQUKE-LJQANCHMSA-N	0	1	496.505	4.239	50	5		JIBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1[N+](=O)[O-]	ZINC000014186169	555727609	/nfs/dbraw/zinc/72/76/09/555727609.db2.gz	ATOCIGMTJFHHER-UHFFFAOYSA-N	0	1	475.548	4.122	50	5		JIBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@H]1CCC	ZINC000017015541	556204314	/nfs/dbraw/zinc/20/43/14/556204314.db2.gz	GTBMSCKDIOWVRK-BWKNWUBXSA-N	0	1	464.522	4.400	50	5		JIBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccncc3)cc2)cc1[N+](=O)[O-]	ZINC000026001432	556239997	/nfs/dbraw/zinc/23/99/97/556239997.db2.gz	VMNXSIIOVJGWEC-NRFANRHFSA-N	0	1	466.519	4.076	50	5		JIBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2cccs2)N1c1ccc(Cl)cc1	ZINC000027527443	556287774	/nfs/dbraw/zinc/28/77/74/556287774.db2.gz	PUNUAGKXNWFCOX-MSOLQXFVSA-N	0	1	453.863	4.062	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2ccc(F)cc2)cc1Cl	ZINC000027527531	556288477	/nfs/dbraw/zinc/28/84/77/556288477.db2.gz	XKWDOZDYJQJLIK-NHCUHLMSSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2ccccc2F)cc1Cl	ZINC000027527648	556288748	/nfs/dbraw/zinc/28/87/48/556288748.db2.gz	NHIPFDZVSDHXIO-NHCUHLMSSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1cccc(F)c1	ZINC000027527655	556288870	/nfs/dbraw/zinc/28/88/70/556288870.db2.gz	BSEKZILOGCJAIM-RTWAWAEBSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2ccccc2F)cc1Cl	ZINC000027527647	556288907	/nfs/dbraw/zinc/28/89/07/556288907.db2.gz	NHIPFDZVSDHXIO-LEWJYISDSA-N	0	1	479.851	4.448	50	5		JIBAMN
COc1ccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3)C([N+](=O)[O-])[C@H]3c4ccccc4C=NN32)cc1	ZINC000008691794	562954197	/nfs/dbraw/zinc/95/41/97/562954197.db2.gz	FHSJOLPRYSEWQK-ZGFBMJKBSA-N	0	1	457.486	4.089	50	5		JIBAMN
CCN1CCN(c2c(CN(C(=O)c3cccc([N+](=O)[O-])c3)C3CC3)c(C)nn2-c2ccccc2)CC1	ZINC000034831243	569664150	/nfs/dbraw/zinc/66/41/50/569664150.db2.gz	BZKPPPGCFBOJPT-UHFFFAOYSA-N	0	1	488.592	4.036	50	5		JIBAMN
COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)N2CCCCC2)cc1	ZINC000068838412	569692506	/nfs/dbraw/zinc/69/25/06/569692506.db2.gz	AREQXKKVLYDOIL-QHCPKHFHSA-N	0	1	488.610	4.027	50	5		JIBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000230045747	570043889	/nfs/dbraw/zinc/04/38/89/570043889.db2.gz	PDOWDAVQWWOSJZ-PGRDOPGGSA-N	0	1	454.870	4.273	50	5		JIBAMN
CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)[C@H]1CC	ZINC000245327764	570065536	/nfs/dbraw/zinc/06/55/36/570065536.db2.gz	QPSPXPBDNQUPDE-HYBUGGRVSA-N	0	1	484.940	4.377	50	5		JIBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)[C@@H]1CCC	ZINC000009187834	194584228	/nfs/dbraw/zinc/58/42/28/194584228.db2.gz	APQABWGNSBLSMG-NVQXNPDNSA-N	0	1	494.548	4.204	50	5		JIBAMN
CCOc1ccc([C@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000027522827	521275726	/nfs/dbraw/zinc/27/57/26/521275726.db2.gz	AOSFSOFEDLEJOB-GOTSBHOMSA-N	0	1	471.469	4.055	50	5		JIBAMN
O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000000847725	553796708	/nfs/dbraw/zinc/79/67/08/553796708.db2.gz	QANWUZCJRNARTH-UHFFFAOYSA-N	0	1	476.308	4.410	50	5		JIBAMN
O=C(Nc1c(F)c(F)c(Br)c(F)c1F)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	ZINC000002781279	554342190	/nfs/dbraw/zinc/34/21/90/554342190.db2.gz	GNXVEMMUBCURRD-UHFFFAOYSA-N	0	1	463.141	4.004	50	5		JIBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)[C@@H]1CCC	ZINC000009240743	555016874	/nfs/dbraw/zinc/01/68/74/555016874.db2.gz	MXUQDSQHKAZUFL-BKMJKUGQSA-N	0	1	494.548	4.204	50	5		JIBAMN
Cn1c2ccccc2c(N2CCN(C3c4ccccc4-c4ccccc43)CC2)c([N+](=O)[O-])c1=O	ZINC000020057801	555621179	/nfs/dbraw/zinc/62/11/79/555621179.db2.gz	DYBUYQQSNYCNAM-UHFFFAOYSA-N	0	1	452.514	4.339	50	5		JIBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)C([N+](=O)[O-])[C@H]3c4ccccc4C=NN32)cc1	ZINC000016038356	556120545	/nfs/dbraw/zinc/12/05/45/556120545.db2.gz	YKPVISPEXRXLGY-POTDNYQPSA-N	0	1	470.529	4.146	50	5		JIBAMN
Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1ccc(F)cc1	ZINC000027527688	556289294	/nfs/dbraw/zinc/28/92/94/556289294.db2.gz	DXYVWLRKRRVPTM-RTWAWAEBSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1nn(Cc2ccc(C(=O)N3CCCN(Cc4ccc(C)cc4)CC3)cc2)c(C)c1[N+](=O)[O-]	ZINC000029826526	556358401	/nfs/dbraw/zinc/35/84/01/556358401.db2.gz	JCIJPXNSFAFECK-UHFFFAOYSA-N	0	1	461.566	4.113	50	5		JIBAMN
COc1ccccc1[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)N1CCCCC1	ZINC000068734292	569691914	/nfs/dbraw/zinc/69/19/14/569691914.db2.gz	HJQUAVWZSCWVDA-DEOSSOPVSA-N	0	1	491.592	4.422	50	5		JIBAMN
CC(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035894735	569723244	/nfs/dbraw/zinc/72/32/44/569723244.db2.gz	RWBHFHDWBSSXGJ-LADGPHEKSA-N	0	1	471.001	4.274	50	5		JIBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)C([N+](=O)[O-])[C@H]3c4ccccc4C=NN32)cc1	ZINC000248121603	570074537	/nfs/dbraw/zinc/07/45/37/570074537.db2.gz	FHSJOLPRYSEWQK-NGSHPTGOSA-N	0	1	457.486	4.089	50	5		JIBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1	ZINC000009908017	195019052	/nfs/dbraw/zinc/01/90/52/195019052.db2.gz	AXBXJGPSYKSDHM-UHFFFAOYSA-N	0	1	478.505	4.036	50	5		JIBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2cccs2)N1c1ccc(Cl)cc1	ZINC000027527440	556287696	/nfs/dbraw/zinc/28/76/96/556287696.db2.gz	PUNUAGKXNWFCOX-ZWKOTPCHSA-N	0	1	453.863	4.062	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1cccc(F)c1	ZINC000027534137	556293788	/nfs/dbraw/zinc/29/37/88/556293788.db2.gz	RVNQUUZONBESBY-LEWJYISDSA-N	0	1	479.851	4.448	50	5		JIBAMN
O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N(Cc1cccs1)C1CC1	ZINC000031939774	556411671	/nfs/dbraw/zinc/41/16/71/556411671.db2.gz	NSTLIDOINVJQMF-UHFFFAOYSA-N	0	1	457.533	4.262	50	5		JIBAMN
O=C(NCc1cccc(F)c1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000035871007	569718428	/nfs/dbraw/zinc/71/84/28/569718428.db2.gz	ZUVHMSNDFHCNEA-AZGAKELHSA-N	0	1	492.526	4.053	50	5		JIBAMN
CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3n2)CC1	ZINC000020108610	521696577	/nfs/dbraw/zinc/69/65/77/521696577.db2.gz	OALBVUKKQBMOFN-UHFFFAOYSA-N	0	1	453.930	4.499	50	5		JIBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Br)cc1	ZINC000002804545	554355133	/nfs/dbraw/zinc/35/51/33/554355133.db2.gz	YASLEANRUYJVFY-UHFFFAOYSA-N	0	1	489.710	4.195	50	5		JIBAMN
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000009285205	555059339	/nfs/dbraw/zinc/05/93/39/555059339.db2.gz	TXRFJGNQSAMEBE-UHFFFAOYSA-N	0	1	461.883	4.310	50	5		JIBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)C([N+](=O)[O-])[C@H]3c4ccccc4C=NN32)cc1	ZINC000016038699	556120965	/nfs/dbraw/zinc/12/09/65/556120965.db2.gz	FHSJOLPRYSEWQK-VPBXCIAMSA-N	0	1	457.486	4.089	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1cccc(F)c1	ZINC000027534140	556293724	/nfs/dbraw/zinc/29/37/24/556293724.db2.gz	RVNQUUZONBESBY-NHCUHLMSSA-N	0	1	479.851	4.448	50	5		JIBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@H]1CCC	ZINC000102781527	569823748	/nfs/dbraw/zinc/82/37/48/569823748.db2.gz	YAWCTUFQIZDGAG-PXDATVDWSA-N	0	1	482.512	4.335	50	5		JIBAMN
C[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12)c1ccccc1	ZINC000169681871	569870977	/nfs/dbraw/zinc/87/09/77/569870977.db2.gz	WZNBBAUNUWMONR-UYDITSSVSA-N	0	1	488.563	4.474	50	5		JIBAMN
CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)cc2Br	ZINC000004008742	194369336	/nfs/dbraw/zinc/36/93/36/194369336.db2.gz	XCZBZNSOLCUWSC-UHFFFAOYSA-N	0	1	483.296	4.389	50	5		JIBAMN
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1	ZINC000009126882	554921273	/nfs/dbraw/zinc/92/12/73/554921273.db2.gz	WSQPSBQZQWZBIL-UHFFFAOYSA-N	0	1	461.883	4.310	50	5		JIBAMN
Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NCc2cccs2)c(C)c1	ZINC000009466670	555242810	/nfs/dbraw/zinc/24/28/10/555242810.db2.gz	NFOCFIYSNYYSRO-UHFFFAOYSA-N	0	1	491.620	4.065	50	5		JIBAMN
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000022130607	555879695	/nfs/dbraw/zinc/87/96/95/555879695.db2.gz	VFTPCHBPQZURLZ-UHFFFAOYSA-N	0	1	476.308	4.410	50	5		JIBAMN
COc1cccc([C@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)N2CCCC2)c1	ZINC000013068684	556265105	/nfs/dbraw/zinc/26/51/05/556265105.db2.gz	DCOUFTXGUPWESC-VWLOTQADSA-N	0	1	466.582	4.407	50	5		JIBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2cccs2)N1c1ccc(Cl)cc1	ZINC000027527442	556287832	/nfs/dbraw/zinc/28/78/32/556287832.db2.gz	PUNUAGKXNWFCOX-ROUUACIJSA-N	0	1	453.863	4.062	50	5		JIBAMN
Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1ccc(F)cc1	ZINC000027527685	556289285	/nfs/dbraw/zinc/28/92/85/556289285.db2.gz	DXYVWLRKRRVPTM-LEWJYISDSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1ccccc1F	ZINC000027527717	556289329	/nfs/dbraw/zinc/28/93/29/556289329.db2.gz	KOMOFFKKPJMFHT-RTWAWAEBSA-N	0	1	479.851	4.448	50	5		JIBAMN
CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000008684394	562952053	/nfs/dbraw/zinc/95/20/53/562952053.db2.gz	SVWCMCTYDXGAQF-UHFFFAOYSA-N	0	1	459.455	4.186	50	5		JIBAMN
Cc1ccc2[nH]c3c(cc(NCCCN4CCN(C)CC4)c4c(=O)c5ccccc5c(=O)c34)oc2c1	ZINC000101066183	569780940	/nfs/dbraw/zinc/78/09/40/569780940.db2.gz	CLRLOBMYPDZRIS-UHFFFAOYSA-N	0	1	482.584	4.299	50	5		JIBAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)O4)cc1O	ZINC000217659108	569880868	/nfs/dbraw/zinc/88/08/68/569880868.db2.gz	UJRKJUVDSDZYQG-HNNXBMFYSA-N	0	1	475.409	4.229	50	5	biogenic	JIBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)C([N+](=O)[O-])[C@H]3c4ccccc4C=NN32)cc1	ZINC000229969474	570042798	/nfs/dbraw/zinc/04/27/98/570042798.db2.gz	YKPVISPEXRXLGY-XPGKHFPBSA-N	0	1	470.529	4.146	50	5		JIBAMN
CC(=O)[C@@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21	ZINC000253487258	570099696	/nfs/dbraw/zinc/09/96/96/570099696.db2.gz	HVBIPJRYXMKNMB-AQWTWLKTSA-N	0	1	493.519	4.465	50	5		JIBAMN
Cn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000009959392	195038089	/nfs/dbraw/zinc/03/80/89/195038089.db2.gz	LMZWGQLRHOPQAH-UHFFFAOYSA-N	0	1	484.560	4.052	50	5		JIBAMN
O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000002651025	554267046	/nfs/dbraw/zinc/26/70/46/554267046.db2.gz	QAZDYVQRDCNRIR-UHFFFAOYSA-N	0	1	452.265	4.012	50	5		JIBAMN
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1	ZINC000009613479	555449162	/nfs/dbraw/zinc/44/91/62/555449162.db2.gz	FNXJQCLOKAWHLN-UHFFFAOYSA-N	0	1	473.532	4.135	50	5		JIBAMN
CCOc1ccc([C@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2)cc1	ZINC000027522995	556287503	/nfs/dbraw/zinc/28/75/03/556287503.db2.gz	NINQCOUSPLUWOS-VXKWHMMOSA-N	0	1	491.887	4.400	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1ccccc1F	ZINC000027527714	556289320	/nfs/dbraw/zinc/28/93/20/556289320.db2.gz	KOMOFFKKPJMFHT-LEWJYISDSA-N	0	1	479.851	4.448	50	5		JIBAMN
CCOC(=O)C1=CN([C@H](C)c2ccccc2)C=C(C(=O)OCC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000016426596	520542262	/nfs/dbraw/zinc/54/22/62/520542262.db2.gz	VYHIYFHAXAMNAC-MRXNPFEDSA-N	0	1	496.516	4.363	50	5		JIBAMN
CCOC(=O)c1c(NC(=O)c2ccc(N3CCN(CC)CC3)cc2[N+](=O)[O-])sc2c1CCCC2	ZINC000000939116	553875772	/nfs/dbraw/zinc/87/57/72/553875772.db2.gz	UHZBSNZROYSULB-UHFFFAOYSA-N	0	1	486.594	4.106	50	5		JIBAMN
CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)[C@@H]1CC	ZINC000009433954	555204371	/nfs/dbraw/zinc/20/43/71/555204371.db2.gz	QPSPXPBDNQUPDE-GBXCKJPGSA-N	0	1	484.940	4.377	50	5		JIBAMN
CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000027522818	556287087	/nfs/dbraw/zinc/28/70/87/556287087.db2.gz	XWZCOXLKXCJOHZ-YADHBBJMSA-N	0	1	491.887	4.400	50	5		JIBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2cccs2)N1c1cccc(C(F)(F)F)c1	ZINC000027527432	556287760	/nfs/dbraw/zinc/28/77/60/556287760.db2.gz	KWNKYFPTZSCBNK-QZTJIDSGSA-N	0	1	487.415	4.428	50	5		JIBAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2cc3ccccc3cc2[nH]c1=O	ZINC000218062200	569882682	/nfs/dbraw/zinc/88/26/82/569882682.db2.gz	OPPBRRWQIRKQOL-KRWDZBQOSA-N	0	1	481.460	4.445	50	5	biogenic	JIBAMN
CC(=O)[C@@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12	ZINC000229872540	570041602	/nfs/dbraw/zinc/04/16/02/570041602.db2.gz	HVBIPJRYXMKNMB-OSSDZZHWSA-N	0	1	493.519	4.465	50	5		JIBAMN
COc1ccccc1N1C(=O)NC(=O)[C@](CCc2ccccn2)(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000016293464	524535841	/nfs/dbraw/zinc/53/58/41/524535841.db2.gz	JIOBGFYZMGKNDA-VWLOTQADSA-N	0	1	474.473	4.283	50	5		JIBAMN
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000016095960	524646993	/nfs/dbraw/zinc/64/69/93/524646993.db2.gz	NAWFALNUQJQAOZ-UHFFFAOYSA-N	0	1	461.883	4.310	50	5		JIBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1	ZINC000002462794	554223875	/nfs/dbraw/zinc/22/38/75/554223875.db2.gz	NSVYZJLEMRLKSC-UXHICEINSA-N	0	1	465.824	4.140	50	5		JIBAMN
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000009096849	554895381	/nfs/dbraw/zinc/89/53/81/554895381.db2.gz	BJUSCSIKLAKIGT-UHFFFAOYSA-N	0	1	496.545	4.257	50	5		JIBAMN
Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000009707400	555430290	/nfs/dbraw/zinc/43/02/90/555430290.db2.gz	UTMZJZGZDQWERE-UHFFFAOYSA-N	0	1	484.921	4.365	50	5		JIBAMN
COc1ccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3)C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1	ZINC000008691793	562954226	/nfs/dbraw/zinc/95/42/26/562954226.db2.gz	FHSJOLPRYSEWQK-ZFFYZDHPSA-N	0	1	457.486	4.089	50	5		JIBAMN
O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])o1	ZINC000065329804	569674938	/nfs/dbraw/zinc/67/49/38/569674938.db2.gz	MUXUODICMIHVAO-UHFFFAOYSA-N	0	1	478.436	4.288	50	5		JIBAMN
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@H]1c1ccccc1	ZINC000245325268	570064299	/nfs/dbraw/zinc/06/42/99/570064299.db2.gz	DQTVRLLVHDPTFZ-PXDATVDWSA-N	0	1	456.458	4.438	50	5		JIBAMN
Cn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009959388	195038106	/nfs/dbraw/zinc/03/81/06/195038106.db2.gz	GURHRPLGQFKJJO-UHFFFAOYSA-N	0	1	484.560	4.052	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1ccc(F)cc1	ZINC000027527641	525759329	/nfs/dbraw/zinc/75/93/29/525759329.db2.gz	VQZGCQWZTOLSBV-LEWJYISDSA-N	0	1	479.851	4.448	50	5		JIBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)cc1	ZINC000089813326	527377570	/nfs/dbraw/zinc/37/75/70/527377570.db2.gz	ZBYACFRDLKIHBC-UHFFFAOYSA-N	0	1	486.449	4.247	50	5		JIBAMN
CN1CCN(c2ccc(Cl)cc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	ZINC000012537369	556010530	/nfs/dbraw/zinc/01/05/30/556010530.db2.gz	SQOJKPHTYDOLOP-UHFFFAOYSA-N	0	1	460.965	4.199	50	5		JIBAMN
CCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000027522820	556287112	/nfs/dbraw/zinc/28/71/12/556287112.db2.gz	XWZCOXLKXCJOHZ-VXKWHMMOSA-N	0	1	491.887	4.400	50	5		JIBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2cccs2)N1c1ccc(Cl)cc1	ZINC000027527441	556287845	/nfs/dbraw/zinc/28/78/45/556287845.db2.gz	PUNUAGKXNWFCOX-QZTJIDSGSA-N	0	1	453.863	4.062	50	5		JIBAMN
COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccc([N+](=O)[O-])o3)CC2)c1	ZINC000065329801	526152636	/nfs/dbraw/zinc/15/26/36/526152636.db2.gz	REKCMSNPIAVZDM-UHFFFAOYSA-N	0	1	490.472	4.157	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2cccs2)cc1Cl	ZINC000002462757	554223545	/nfs/dbraw/zinc/22/35/45/554223545.db2.gz	MIKULNNFRSSBMY-RTBURBONSA-N	0	1	467.890	4.371	50	5		JIBAMN
COc1ccccc1NS(=O)(=O)c1cc(Nc2ncccc2[N+](=O)[O-])ccc1N1CCCC1	ZINC000009120748	554914151	/nfs/dbraw/zinc/91/41/51/554914151.db2.gz	XNBCFLPLUMRMEQ-UHFFFAOYSA-N	0	1	469.523	4.143	50	5		JIBAMN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)ccc1Br	ZINC000009468266	555247711	/nfs/dbraw/zinc/24/77/11/555247711.db2.gz	QHWOONQTEORIRT-UHFFFAOYSA-N	0	1	450.108	4.229	50	5		JIBAMN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)nc21	ZINC000009714691	555444272	/nfs/dbraw/zinc/44/42/72/555444272.db2.gz	KTKIJXJRIJWMNM-UHFFFAOYSA-N	0	1	484.515	4.266	50	5		JIBAMN
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000009714713	555444641	/nfs/dbraw/zinc/44/46/41/555444641.db2.gz	MRWCZTWNWLZLSQ-UHFFFAOYSA-N	0	1	461.883	4.310	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020133907	555658109	/nfs/dbraw/zinc/65/81/09/555658109.db2.gz	DBVZHAQPFXQLIG-LJQANCHMSA-N	0	1	469.498	4.470	50	5		JIBAMN
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000014186275	555727667	/nfs/dbraw/zinc/72/76/67/555727667.db2.gz	JTLUWPITICKFRL-UHFFFAOYSA-N	0	1	495.966	4.467	50	5		JIBAMN
Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1cccc(F)c1	ZINC000027527652	556288819	/nfs/dbraw/zinc/28/88/19/556288819.db2.gz	BSEKZILOGCJAIM-LEWJYISDSA-N	0	1	479.851	4.448	50	5		JIBAMN
CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000057222985	569595021	/nfs/dbraw/zinc/59/50/21/569595021.db2.gz	PTRYKPMUBLOAJN-UHFFFAOYSA-N	0	1	488.544	4.346	50	5		JIBAMN
Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1ccc(F)cc1	ZINC000034139305	569639667	/nfs/dbraw/zinc/63/96/67/569639667.db2.gz	KZTPNTBAMJGOAW-LEWJYISDSA-N	0	1	479.851	4.448	50	5		JIBAMN
O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000012791591	195132488	/nfs/dbraw/zinc/13/24/88/195132488.db2.gz	SOVOWUIFBBENNK-UHFFFAOYSA-N	0	1	476.327	4.469	50	5		JIBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)[C@@H]1CCC	ZINC000009240744	555016935	/nfs/dbraw/zinc/01/69/35/555016935.db2.gz	MXUQDSQHKAZUFL-NVQXNPDNSA-N	0	1	494.548	4.204	50	5		JIBAMN
Cc1ccc2nc(-c3cccc(NS(=O)(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)c3)cn2c1	ZINC000009327449	555097515	/nfs/dbraw/zinc/09/75/15/555097515.db2.gz	RDNPYUKAJRWTFS-UHFFFAOYSA-N	0	1	467.463	4.235	50	5		JIBAMN
O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cc(Cl)ccc1=O	ZINC000013941029	555652448	/nfs/dbraw/zinc/65/24/48/555652448.db2.gz	CEOXLYMRGCBIRS-XMMPIXPASA-N	0	1	493.947	4.315	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2ccc(F)cc2)cc1Cl	ZINC000027527530	556288459	/nfs/dbraw/zinc/28/84/59/556288459.db2.gz	XKWDOZDYJQJLIK-LEWJYISDSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2ccc(F)cc2)cc1Cl	ZINC000027527528	556288497	/nfs/dbraw/zinc/28/84/97/556288497.db2.gz	VUMMGKTWYXZXEG-SFTDATJTSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1ccc(F)cc1	ZINC000027527642	556288806	/nfs/dbraw/zinc/28/88/06/556288806.db2.gz	VQZGCQWZTOLSBV-NHCUHLMSSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1ccccc1F	ZINC000027527716	556289203	/nfs/dbraw/zinc/28/92/03/556289203.db2.gz	KOMOFFKKPJMFHT-SFTDATJTSA-N	0	1	479.851	4.448	50	5		JIBAMN
CCc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000143597997	569867636	/nfs/dbraw/zinc/86/76/36/569867636.db2.gz	INKGUAIAJDNUEY-YTFSRNRJSA-N	0	1	461.449	4.347	50	5		JIBAMN
COc1cccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]23)c1	ZINC000169678532	569869210	/nfs/dbraw/zinc/86/92/10/569869210.db2.gz	NIFLYQITMKIWIF-RSXGOPAZSA-N	0	1	472.545	4.105	50	5		JIBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1	ZINC000009907989	195018823	/nfs/dbraw/zinc/01/88/23/195018823.db2.gz	KKCPKSJKTGIZPL-UHFFFAOYSA-N	0	1	478.505	4.036	50	5		JIBAMN
CC(C)C(=O)Oc1cn(CCCN2CCOCC2)c2nc(C(C)C)n3c4ccccc4nc3c12	ZINC000020403662	519532302	/nfs/dbraw/zinc/53/23/02/519532302.db2.gz	GACLEKXPOQOTFW-UHFFFAOYSA-N	0	1	463.582	4.244	50	5		JIBAMN
COCc1oc2c(cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)c1C(=O)OC	ZINC000004149914	523283542	/nfs/dbraw/zinc/28/35/42/523283542.db2.gz	FNTDRZLEMHCITB-UHFFFAOYSA-N	0	1	470.459	4.228	50	5		JIBAMN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000000859506	553801603	/nfs/dbraw/zinc/80/16/03/553801603.db2.gz	ANPLMQVZNTUZRC-UHFFFAOYSA-N	0	1	476.308	4.410	50	5		JIBAMN
O=C1NC(=S)N(c2ccccc2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000008814966	554697031	/nfs/dbraw/zinc/69/70/31/554697031.db2.gz	FZCCZLXWUCTEQF-XXBNENTESA-N	0	1	450.520	4.175	50	5		JIBAMN
COc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2)cc1	ZINC000013164287	555364315	/nfs/dbraw/zinc/36/43/15/555364315.db2.gz	UEEFXQAFWSZGOE-UHFFFAOYSA-N	0	1	468.520	4.243	50	5		JIBAMN
CCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC	ZINC000013544783	555489790	/nfs/dbraw/zinc/48/97/90/555489790.db2.gz	RBFSPQDASPEAID-HXUWFJFHSA-O	0	1	482.575	4.222	50	5	in-vitro	JIBAMN
COCCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000013839266	555630953	/nfs/dbraw/zinc/63/09/53/555630953.db2.gz	YEPSHKVKWUBXJJ-OAQYLSRUSA-N	0	1	495.561	4.266	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000020133668	555657930	/nfs/dbraw/zinc/65/79/30/555657930.db2.gz	DTLFTIOGGIYRSU-LJQANCHMSA-N	0	1	451.508	4.331	50	5		JIBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-]	ZINC000014186185	555727560	/nfs/dbraw/zinc/72/75/60/555727560.db2.gz	DJBHMRQYZLJWDL-UHFFFAOYSA-N	0	1	481.939	4.158	50	5		JIBAMN
COc1cc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c([N+](=O)[O-])cc1OC	ZINC000060212160	569608502	/nfs/dbraw/zinc/60/85/02/569608502.db2.gz	YFLJKTIVLOECOV-UHFFFAOYSA-N	0	1	450.426	4.471	50	5		JIBAMN
CC[C@H](C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870340	569718245	/nfs/dbraw/zinc/71/82/45/569718245.db2.gz	IVRWSTOPOOHKEF-POCHDABASA-N	0	1	456.974	4.026	50	5		JIBAMN
C[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12)c1ccccc1	ZINC000035870389	569718268	/nfs/dbraw/zinc/71/82/68/569718268.db2.gz	WZNBBAUNUWMONR-YDOVEJIGSA-N	0	1	488.563	4.474	50	5		JIBAMN
CCCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000096422930	569740473	/nfs/dbraw/zinc/74/04/73/569740473.db2.gz	ZLMXGBNDERRWNA-NDENLUEZSA-N	0	1	481.896	4.185	50	5		JIBAMN
CC[C@H](C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677677	569868819	/nfs/dbraw/zinc/86/88/19/569868819.db2.gz	IVRWSTOPOOHKEF-YROCYRMSSA-N	0	1	456.974	4.026	50	5		JIBAMN
CC[C@H](C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677677	569868820	/nfs/dbraw/zinc/86/88/20/569868820.db2.gz	IVRWSTOPOOHKEF-YROCYRMSSA-N	0	1	456.974	4.026	50	5		JIBAMN
Cc1cc(C)c(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)c(C)c1	ZINC000245324889	570064002	/nfs/dbraw/zinc/06/40/02/570064002.db2.gz	BSIRZOYRQMMDEZ-JXQVFYGUSA-N	0	1	492.532	4.168	50	5		JIBAMN
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000001165977	194057685	/nfs/dbraw/zinc/05/76/85/194057685.db2.gz	LROSSWNHMUUWKJ-NTUHNPAUSA-N	0	1	467.503	4.365	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(F)c3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020849803	195230863	/nfs/dbraw/zinc/23/08/63/195230863.db2.gz	JFLSXYYCTQPQNL-IBGZPJMESA-N	0	1	469.498	4.470	50	5		JIBAMN
CCCCOC(=O)c1ccc(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000006172855	520722991	/nfs/dbraw/zinc/72/29/91/520722991.db2.gz	POSIRWBQLOCCRB-UHFFFAOYSA-N	0	1	455.496	4.068	50	5		JIBAMN
Cc1[nH]c(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)nc1Cc1ccc(O)cc1	ZINC000012372053	527018905	/nfs/dbraw/zinc/01/89/05/527018905.db2.gz	DPXWACYWSNXDEF-UHFFFAOYSA-N	0	1	455.521	4.263	50	5		JIBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)c1	ZINC000016383148	527394951	/nfs/dbraw/zinc/39/49/51/527394951.db2.gz	IVLHZTGRLWDNOQ-UHFFFAOYSA-N	0	1	483.527	4.350	50	5		JIBAMN
O=C1NC(=S)N(c2ccccc2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000008814965	554697033	/nfs/dbraw/zinc/69/70/33/554697033.db2.gz	FZCCZLXWUCTEQF-AUSIDOKSSA-N	0	1	450.520	4.175	50	5		JIBAMN
CC(=O)[C@@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12	ZINC000008964739	554838678	/nfs/dbraw/zinc/83/86/78/554838678.db2.gz	WVFGNIMBQFZYTP-XVOBZGQLSA-N	0	1	479.492	4.157	50	5	biogenic	JIBAMN
Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009115540	554902377	/nfs/dbraw/zinc/90/23/77/554902377.db2.gz	ZQZMOIXZFICNOC-UHFFFAOYSA-N	0	1	476.923	4.298	50	5		JIBAMN
O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cc(Cl)ccc1=O	ZINC000009762498	555487789	/nfs/dbraw/zinc/48/77/89/555487789.db2.gz	CEOXLYMRGCBIRS-DEOSSOPVSA-N	0	1	493.947	4.315	50	5		JIBAMN
CN(C)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCO3	ZINC000010065955	555614006	/nfs/dbraw/zinc/61/40/06/555614006.db2.gz	CDGGDNWLAFABKA-UHFFFAOYSA-N	0	1	470.532	4.356	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn2[C@@H]1c1cccs1	ZINC000020134219	555658796	/nfs/dbraw/zinc/65/87/96/555658796.db2.gz	BDMAUEPSNFHKEW-QGZVFWFLSA-N	0	1	457.537	4.392	50	5		JIBAMN
CCOc1ccc([C@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000027522823	556287103	/nfs/dbraw/zinc/28/71/03/556287103.db2.gz	AOSFSOFEDLEJOB-XZOQPEGZSA-N	0	1	471.469	4.055	50	5		JIBAMN
CC(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035894733	569723221	/nfs/dbraw/zinc/72/32/21/569723221.db2.gz	RWBHFHDWBSSXGJ-ISKFKSNPSA-N	0	1	471.001	4.274	50	5		JIBAMN
CCN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(C)cc4)c4ccccc4c3=O)c2)CC1	ZINC000009891919	195015744	/nfs/dbraw/zinc/01/57/44/195015744.db2.gz	ZGWZUQJTUDOCMK-UHFFFAOYSA-N	0	1	469.545	4.411	50	5		JIBAMN
CCn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009942151	195029625	/nfs/dbraw/zinc/02/96/25/195029625.db2.gz	IHPXVJPIEZHXII-UHFFFAOYSA-N	0	1	451.527	4.358	50	5		JIBAMN
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000009714712	555444681	/nfs/dbraw/zinc/44/46/81/555444681.db2.gz	SFUINKYZAUBLPR-UHFFFAOYSA-N	0	1	461.883	4.310	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020134201	555658766	/nfs/dbraw/zinc/65/87/66/555658766.db2.gz	PTWCJLJSIJQUKE-IBGZPJMESA-N	0	1	496.505	4.239	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn2[C@H]1c1cccs1	ZINC000020134222	555658820	/nfs/dbraw/zinc/65/88/20/555658820.db2.gz	BDMAUEPSNFHKEW-KRWDZBQOSA-N	0	1	457.537	4.392	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2ccc(F)cc2)cc1Cl	ZINC000027527532	556288608	/nfs/dbraw/zinc/28/86/08/556288608.db2.gz	XKWDOZDYJQJLIK-SFTDATJTSA-N	0	1	479.851	4.448	50	5		JIBAMN
CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(CC)CC2)sc2c1CCCC2	ZINC000009082868	554888400	/nfs/dbraw/zinc/88/84/00/554888400.db2.gz	BXQRZEJSYRTELI-UHFFFAOYSA-N	0	1	486.594	4.106	50	5		JIBAMN
CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)[C@@H]1CC	ZINC000009433996	555204695	/nfs/dbraw/zinc/20/46/95/555204695.db2.gz	BXYJUGBSFJFRSE-GBXCKJPGSA-N	0	1	484.940	4.377	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000020133672	555657936	/nfs/dbraw/zinc/65/79/36/555657936.db2.gz	DTLFTIOGGIYRSU-IBGZPJMESA-N	0	1	451.508	4.331	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2ccc(F)cc2)cc1Cl	ZINC000027527533	556288542	/nfs/dbraw/zinc/28/85/42/556288542.db2.gz	XKWDOZDYJQJLIK-RTWAWAEBSA-N	0	1	479.851	4.448	50	5		JIBAMN
O=C(Nc1ccc(N2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1)c1cc(F)cc(F)c1	ZINC000034681923	569643455	/nfs/dbraw/zinc/64/34/55/569643455.db2.gz	LCJMSGBFERLVSW-UHFFFAOYSA-N	0	1	467.476	4.233	50	5		JIBAMN
Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034834350	569664766	/nfs/dbraw/zinc/66/47/66/569664766.db2.gz	GIXUJUAYDYXETH-UHFFFAOYSA-N	0	1	490.608	4.139	50	5		JIBAMN
O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC(c2n[nH]c(C3CC3)n2)CC1	ZINC000065604552	569676327	/nfs/dbraw/zinc/67/63/27/569676327.db2.gz	QPRPZNWKIRQHSS-UHFFFAOYSA-N	0	1	492.502	4.232	50	5		JIBAMN
COc1cccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]23)c1	ZINC000035870886	569718545	/nfs/dbraw/zinc/71/85/45/569718545.db2.gz	NIFLYQITMKIWIF-AZGAKELHSA-N	0	1	472.545	4.105	50	5		JIBAMN
COc1cccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]23)c1	ZINC000169678533	569869127	/nfs/dbraw/zinc/86/91/27/569869127.db2.gz	NIFLYQITMKIWIF-AHWVRZQESA-N	0	1	472.545	4.105	50	5		JIBAMN
COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])ccc2Cl)cc1	ZINC000016115878	524686182	/nfs/dbraw/zinc/68/61/82/524686182.db2.gz	JECUIBKAZZBQFH-UHFFFAOYSA-N	0	1	461.883	4.310	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2ccc(F)cc2)cc1Cl	ZINC000027527526	524929872	/nfs/dbraw/zinc/92/98/72/524929872.db2.gz	VUMMGKTWYXZXEG-LEWJYISDSA-N	0	1	479.851	4.448	50	5		JIBAMN
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000006089001	527437033	/nfs/dbraw/zinc/43/70/33/527437033.db2.gz	RDEIPQZZZDLWLO-UHFFFAOYSA-N	0	1	476.854	4.210	50	5		JIBAMN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1	ZINC000008833655	554731306	/nfs/dbraw/zinc/73/13/06/554731306.db2.gz	NSOXFBJRXDHFKD-UHFFFAOYSA-N	0	1	475.848	4.026	50	5		JIBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000008974518	554846142	/nfs/dbraw/zinc/84/61/42/554846142.db2.gz	PDOWDAVQWWOSJZ-GCJKJVERSA-N	0	1	454.870	4.273	50	5		JIBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN32)cc1	ZINC000009108554	554897242	/nfs/dbraw/zinc/89/72/42/554897242.db2.gz	YKPVISPEXRXLGY-RSYZFUPGSA-N	0	1	470.529	4.146	50	5		JIBAMN
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]12	ZINC000009186226	554958586	/nfs/dbraw/zinc/95/85/86/554958586.db2.gz	AODBAAYJCSXDOF-HDEPLQKNSA-N	0	1	488.544	4.194	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(F)cc3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020135271	555660051	/nfs/dbraw/zinc/66/00/51/555660051.db2.gz	LAUWEQYXFKTUAA-LJQANCHMSA-N	0	1	469.498	4.470	50	5		JIBAMN
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCN(Cc5ccccc5)CC4)c3)CC2)cc1	ZINC000055552692	569592115	/nfs/dbraw/zinc/59/21/15/569592115.db2.gz	UXWTVHASWHZCTR-UHFFFAOYSA-N	0	1	499.615	4.188	50	5		JIBAMN
O=C(Nc1ccccc1C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000062569517	569611267	/nfs/dbraw/zinc/61/12/67/569611267.db2.gz	CGFUMIXSHXYQHW-UHFFFAOYSA-N	0	1	493.951	4.290	50	5		JIBAMN
Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1ccc(F)cc1	ZINC000034139303	569639713	/nfs/dbraw/zinc/63/97/13/569639713.db2.gz	KZTPNTBAMJGOAW-SFTDATJTSA-N	0	1	479.851	4.448	50	5		JIBAMN
O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])o1	ZINC000065329807	569674942	/nfs/dbraw/zinc/67/49/42/569674942.db2.gz	IKQWWJVJVRZVLK-UHFFFAOYSA-N	0	1	478.436	4.288	50	5		JIBAMN
Cc1cc(C)c(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)c(C)c1	ZINC000245324888	570064005	/nfs/dbraw/zinc/06/40/05/570064005.db2.gz	BSIRZOYRQMMDEZ-BCFCWJPRSA-N	0	1	492.532	4.168	50	5		JIBAMN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000003014720	194206869	/nfs/dbraw/zinc/20/68/69/194206869.db2.gz	OWDPXJVMBMUZAD-UHFFFAOYSA-N	0	1	476.854	4.210	50	5		JIBAMN
O=C1CCCc2oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3Br)c21	ZINC000008765718	526986551	/nfs/dbraw/zinc/98/65/51/526986551.db2.gz	QYYCNWLLSQBDHR-UHFFFAOYSA-N	0	1	465.281	4.423	50	5		JIBAMN
CCc1ccc(-c2nn(-c3cc(N4CCN(C)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1	ZINC000008809696	554688974	/nfs/dbraw/zinc/68/89/74/554688974.db2.gz	FUKREDAQHYDGEJ-UHFFFAOYSA-N	0	1	469.545	4.275	50	5		JIBAMN
Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c(C)c1	ZINC000009446565	555219540	/nfs/dbraw/zinc/21/95/40/555219540.db2.gz	OMTYQVAQPCYTCY-KCWPFWIISA-N	0	1	484.512	4.215	50	5		JIBAMN
CN(Cc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009546311	555341290	/nfs/dbraw/zinc/34/12/90/555341290.db2.gz	RVRLRXZYIAZVST-UHFFFAOYSA-N	0	1	459.911	4.321	50	5		JIBAMN
O=C(Nc1cccc(Br)c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009714719	555444647	/nfs/dbraw/zinc/44/46/47/555444647.db2.gz	NJGPEOKTUDPWQV-UHFFFAOYSA-N	0	1	476.308	4.410	50	5		JIBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(F)cc3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020135275	555660021	/nfs/dbraw/zinc/66/00/21/555660021.db2.gz	LAUWEQYXFKTUAA-IBGZPJMESA-N	0	1	469.498	4.470	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1ccccc1F	ZINC000027527715	556289208	/nfs/dbraw/zinc/28/92/08/556289208.db2.gz	KOMOFFKKPJMFHT-NHCUHLMSSA-N	0	1	479.851	4.448	50	5		JIBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000101094956	569782334	/nfs/dbraw/zinc/78/23/34/569782334.db2.gz	TVXUPODSUZCLEI-BDTNDASRSA-N	0	1	479.876	4.308	50	5		JIBAMN
C[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12)c1ccccc1	ZINC000169681873	569870904	/nfs/dbraw/zinc/87/09/04/569870904.db2.gz	WZNBBAUNUWMONR-BYGVMDBSSA-N	0	1	488.563	4.474	50	5		JIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1OC	ZINC000248126332	570074846	/nfs/dbraw/zinc/07/48/46/570074846.db2.gz	GGDLLVHIXFVNHN-CXSMSNRLSA-N	0	1	457.486	4.089	50	5		JIBAMN
Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1cccc(F)c1	ZINC000027527654	524730185	/nfs/dbraw/zinc/73/01/85/524730185.db2.gz	BSEKZILOGCJAIM-SFTDATJTSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1ccc(-c2nn(-c3cc(N4CCN(C)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1C	ZINC000008442948	554592724	/nfs/dbraw/zinc/59/27/24/554592724.db2.gz	ZLCGTXZMMGSJOB-UHFFFAOYSA-N	0	1	469.545	4.330	50	5		JIBAMN
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN[C@H](C)c2ccccc2)cc1	ZINC000020155053	555675021	/nfs/dbraw/zinc/67/50/21/555675021.db2.gz	RMKLZNKLJOCGHL-QGZVFWFLSA-N	0	1	490.516	4.313	50	5		JIBAMN
CCc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018099679	556287334	/nfs/dbraw/zinc/28/73/34/556287334.db2.gz	INKGUAIAJDNUEY-ZLNRFVROSA-N	0	1	461.449	4.347	50	5		JIBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2cccs2)N1c1cccc(C(F)(F)F)c1	ZINC000027527433	556287799	/nfs/dbraw/zinc/28/77/99/556287799.db2.gz	KWNKYFPTZSCBNK-ROUUACIJSA-N	0	1	487.415	4.428	50	5		JIBAMN
Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1cccc(F)c1	ZINC000027527653	556288851	/nfs/dbraw/zinc/28/88/51/556288851.db2.gz	BSEKZILOGCJAIM-NHCUHLMSSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1ccc(F)cc1	ZINC000027527687	556289238	/nfs/dbraw/zinc/28/92/38/556289238.db2.gz	DXYVWLRKRRVPTM-SFTDATJTSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1cccc(F)c1	ZINC000027534142	556293859	/nfs/dbraw/zinc/29/38/59/556293859.db2.gz	RVNQUUZONBESBY-SFTDATJTSA-N	0	1	479.851	4.448	50	5		JIBAMN
CCN1CCN(c2c(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)c(C)nn2-c2ccccc2)CC1	ZINC000034831229	569664094	/nfs/dbraw/zinc/66/40/94/569664094.db2.gz	OFHPKFUYQRQGGU-UHFFFAOYSA-N	0	1	490.608	4.282	50	5		JIBAMN
COc1cccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]23)c1	ZINC000035870885	569718467	/nfs/dbraw/zinc/71/84/67/569718467.db2.gz	NIFLYQITMKIWIF-AOYPEHQESA-N	0	1	472.545	4.105	50	5		JIBAMN
O=C1NC(=S)N(c2ccccc2Cl)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12	ZINC000245328143	570065524	/nfs/dbraw/zinc/06/55/24/570065524.db2.gz	SGHRLOKZQMRVFJ-WMZHIEFXSA-N	0	1	484.965	4.399	50	5		JIBAMN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)Nc2cccc(O)c2)c1	ZINC000015685990	527374615	/nfs/dbraw/zinc/37/46/15/527374615.db2.gz	OZNIMYCGTQQCKS-UHFFFAOYSA-N	0	1	492.307	4.116	50	5		JIBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1	ZINC000002462796	554223955	/nfs/dbraw/zinc/22/39/55/554223955.db2.gz	NSVYZJLEMRLKSC-WOJBJXKFSA-N	0	1	465.824	4.140	50	5		JIBAMN
COc1ccc(C(=O)[C@H]2[C@H](c3ccc(N(C)C)cc3)C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1	ZINC000009076029	554887199	/nfs/dbraw/zinc/88/71/99/554887199.db2.gz	YKPVISPEXRXLGY-XDZVQPMWSA-N	0	1	470.529	4.146	50	5		JIBAMN
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2[N+](=O)[O-])ccc1C	ZINC000009283125	555053645	/nfs/dbraw/zinc/05/36/45/555053645.db2.gz	VEIQXLMJIPCAHD-UHFFFAOYSA-N	0	1	456.480	4.357	50	5		JIBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1CCC	ZINC000009510639	555300192	/nfs/dbraw/zinc/30/01/92/555300192.db2.gz	YAWCTUFQIZDGAG-OFVILXPXSA-N	0	1	482.512	4.335	50	5		JIBAMN
COC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1	ZINC000009562892	555364458	/nfs/dbraw/zinc/36/44/58/555364458.db2.gz	OTPHQUJMNBDVFH-UHFFFAOYSA-N	0	1	489.893	4.088	50	5		JIBAMN
Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NCc2ccccc2)c(C)c1	ZINC000009661873	555366356	/nfs/dbraw/zinc/36/63/56/555366356.db2.gz	QEPDAXSELALZAD-UHFFFAOYSA-N	0	1	485.591	4.004	50	5		JIBAMN
O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCO3)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	ZINC000009579599	555383686	/nfs/dbraw/zinc/38/36/86/555383686.db2.gz	VDNSANZMGCIMCF-UHFFFAOYSA-N	0	1	461.883	4.390	50	5		JIBAMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1	ZINC000012843648	556116781	/nfs/dbraw/zinc/11/67/81/556116781.db2.gz	FFKVAVACARKLAT-UHFFFAOYSA-N	0	1	488.953	4.254	50	5		JIBAMN
CCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000027522816	556287129	/nfs/dbraw/zinc/28/71/29/556287129.db2.gz	XWZCOXLKXCJOHZ-FCHUYYIVSA-N	0	1	491.887	4.400	50	5		JIBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2ccccc2F)cc1Cl	ZINC000027527650	556288773	/nfs/dbraw/zinc/28/87/73/556288773.db2.gz	NHIPFDZVSDHXIO-RTWAWAEBSA-N	0	1	479.851	4.448	50	5		JIBAMN
Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1cccc(F)c1	ZINC000027534144	556293754	/nfs/dbraw/zinc/29/37/54/556293754.db2.gz	RVNQUUZONBESBY-RTWAWAEBSA-N	0	1	479.851	4.448	50	5		JIBAMN
CC[C@H](C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677675	569868786	/nfs/dbraw/zinc/86/87/86/569868786.db2.gz	IVRWSTOPOOHKEF-YTJPUZGESA-N	0	1	456.974	4.026	50	5		JIBAMN
CC[C@H](C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677675	569868787	/nfs/dbraw/zinc/86/87/87/569868787.db2.gz	IVRWSTOPOOHKEF-YTJPUZGESA-N	0	1	456.974	4.026	50	5		JIBAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2cc3ccccc3cc2[nH]c1=O	ZINC000218062284	569882676	/nfs/dbraw/zinc/88/26/76/569882676.db2.gz	OPPBRRWQIRKQOL-QGZVFWFLSA-N	0	1	481.460	4.445	50	5	biogenic	JIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1OC	ZINC000248126336	570074824	/nfs/dbraw/zinc/07/48/24/570074824.db2.gz	GGDLLVHIXFVNHN-FQUZAXHOSA-N	0	1	457.486	4.089	50	5		JIBAMN