smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000096402894	130079175	/nfs/dbraw/zinc/07/91/75/130079175.db2.gz	JCGUMOXBJODQDW-YASKCIBGSA-N	0	1	460.490	2.951	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009088440	554890276	/nfs/dbraw/zinc/89/02/76/554890276.db2.gz	ZFVZIBJAYAXLND-HSGJQSDISA-N	0	1	460.490	2.897	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009329512	555100306	/nfs/dbraw/zinc/10/03/06/555100306.db2.gz	NVRLWMYLXRFBHU-NRGSMNHXSA-N	0	1	476.489	2.597	40	5		JFBBMN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	ZINC000009356988	555122083	/nfs/dbraw/zinc/12/20/83/555122083.db2.gz	OUHKGQMISZFWAN-RLYAYYKLSA-N	0	1	498.495	2.777	40	5		JFBBMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009580283	555385500	/nfs/dbraw/zinc/38/55/00/555385500.db2.gz	NLJFZWILDCTVKR-BDCMKYTISA-N	0	1	464.478	2.711	40	5		JFBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000033912785	569637425	/nfs/dbraw/zinc/63/74/25/569637425.db2.gz	QPMCFPFDNOSRMU-DRCLYLBJSA-N	0	1	476.489	2.651	40	5		JFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843183	569714194	/nfs/dbraw/zinc/71/41/94/569714194.db2.gz	JDYKBEHBYKZQFT-YASKCIBGSA-N	0	1	460.490	2.951	40	5		JFBBMN
CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(Cc4ccc(OC)cc4)c(=O)c3cc2c1=O	ZINC000040399114	569826245	/nfs/dbraw/zinc/82/62/45/569826245.db2.gz	HMKCRWLIUNVWBE-UHFFFAOYSA-N	0	1	485.500	2.966	40	5		JFBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000104040139	569840049	/nfs/dbraw/zinc/84/00/49/569840049.db2.gz	GKDNGYRMOYIJID-DRCLYLBJSA-N	0	1	476.489	2.651	40	5		JFBBMN
CCOC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(O)c12	ZINC000016682638	520542523	/nfs/dbraw/zinc/54/25/23/520542523.db2.gz	YIQFDRMKHJZGSR-RDJZCZTQSA-N	0	1	487.266	2.655	40	5		JFBBMN
COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000026510066	556255412	/nfs/dbraw/zinc/25/54/12/556255412.db2.gz	CXVAQYBHRXVAQA-GOSISDBHSA-N	0	1	452.427	2.837	40	5		JFBBMN
CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000027012353	556268171	/nfs/dbraw/zinc/26/81/71/556268171.db2.gz	LFTROCONTVASFP-FOUBCARRSA-N	0	1	454.870	2.829	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035807564	569711637	/nfs/dbraw/zinc/71/16/37/569711637.db2.gz	JXJJMGSQELOSHD-WGXFTBGVSA-N	0	1	490.516	2.905	40	5		JFBBMN
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035830027	569713259	/nfs/dbraw/zinc/71/32/59/569713259.db2.gz	STZFWFBWYIPTPF-QTDDQOEGSA-N	0	1	460.490	2.749	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843298	569714273	/nfs/dbraw/zinc/71/42/73/569714273.db2.gz	QOZZZKKZISDQMQ-WKVINZIJSA-N	0	1	460.490	2.951	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843212	569714400	/nfs/dbraw/zinc/71/44/00/569714400.db2.gz	SAEDGDGIBNELAE-KYCQWFEFSA-N	0	1	460.490	2.951	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851735	569716640	/nfs/dbraw/zinc/71/66/40/569716640.db2.gz	WONQTOWVPWJVQJ-NRGSMNHXSA-N	0	1	460.490	2.951	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@@]21C(=O)Nc2ccccc21	ZINC000102552712	569814218	/nfs/dbraw/zinc/81/42/18/569814218.db2.gz	XJYXYMPDDXSKRB-YRCDICCDSA-N	0	1	498.495	2.771	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104062766	569840296	/nfs/dbraw/zinc/84/02/96/569840296.db2.gz	JKVBXPAQIQGZPG-IOGAWYOOSA-N	0	1	476.489	2.651	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000102892105	130374280	/nfs/dbraw/zinc/37/42/80/130374280.db2.gz	VMUQMFUXIVMSOG-YASKCIBGSA-N	0	1	460.490	2.897	40	5		JFBBMN
CCOC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(O)c12	ZINC000016682637	520545585	/nfs/dbraw/zinc/54/55/85/520545585.db2.gz	YIQFDRMKHJZGSR-WBVHZDCISA-N	0	1	487.266	2.655	40	5		JFBBMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009356792	555122141	/nfs/dbraw/zinc/12/21/41/555122141.db2.gz	MNSPYMWCHIEMMQ-OALHLCOBSA-N	0	1	476.489	2.597	40	5		JFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009411197	555178434	/nfs/dbraw/zinc/17/84/34/555178434.db2.gz	NXBREAHTFNTVLB-KYCQWFEFSA-N	0	1	460.490	2.951	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3c2cc(C)cc3C)c(C)cc1[N+](=O)[O-]	ZINC000035147867	569676184	/nfs/dbraw/zinc/67/61/84/569676184.db2.gz	DCDMBJTUWWNVQF-GPNHVJLWSA-N	0	1	490.516	2.960	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851629	569716407	/nfs/dbraw/zinc/71/64/07/569716407.db2.gz	PHUVHVWSULCPLS-VSRHEVROSA-N	0	1	476.489	2.597	40	5		JFBBMN
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000103507568	569835409	/nfs/dbraw/zinc/83/54/09/569835409.db2.gz	ASKKDZSGXQSJSE-QTDDQOEGSA-N	0	1	460.490	2.749	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103519297	569835726	/nfs/dbraw/zinc/83/57/26/569835726.db2.gz	WONQTOWVPWJVQJ-DRCLYLBJSA-N	0	1	460.490	2.951	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103548543	569836076	/nfs/dbraw/zinc/83/60/76/569836076.db2.gz	QOZZZKKZISDQMQ-ILDDTBCLSA-N	0	1	460.490	2.951	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104027982	569840011	/nfs/dbraw/zinc/84/00/11/569840011.db2.gz	DCDMBJTUWWNVQF-RRQFZRKBSA-N	0	1	490.516	2.960	40	5		JFBBMN
O=C(OC1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409304999	570197822	/nfs/dbraw/zinc/19/78/22/570197822.db2.gz	LIKMFKVPVZCHLY-PMACEKPBSA-N	0	1	460.398	2.919	40	5		JFBBMN
O=C(O[C@@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409304999	570197823	/nfs/dbraw/zinc/19/78/23/570197823.db2.gz	LIKMFKVPVZCHLY-PMACEKPBSA-N	0	1	460.398	2.919	40	5		JFBBMN
CCOc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000102784631	130301317	/nfs/dbraw/zinc/30/13/17/130301317.db2.gz	FWTKOEFFKWYWBX-MYLOEWHJSA-N	0	1	494.504	2.801	40	5		JFBBMN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2Cc2ccc(O)cc2)C(=O)Nc2ccccc21	ZINC000102867115	130340117	/nfs/dbraw/zinc/34/01/17/130340117.db2.gz	OUHKGQMISZFWAN-XGKIYDHQSA-N	0	1	498.495	2.777	40	5		JFBBMN
CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(O)c12	ZINC000016138920	519370964	/nfs/dbraw/zinc/37/09/64/519370964.db2.gz	OZHLIGBCQPGARM-WBVHZDCISA-N	0	1	457.240	2.681	40	5		JFBBMN
O=[N+]([O-])c1ccc(N(CCO)S(=O)(=O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)c1	ZINC000016491521	527358567	/nfs/dbraw/zinc/35/85/67/527358567.db2.gz	QZMWMYMBCXQOHB-UHFFFAOYSA-N	0	1	477.520	2.583	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009331491	555101145	/nfs/dbraw/zinc/10/11/45/555101145.db2.gz	PHUVHVWSULCPLS-LZISPXOZSA-N	0	1	476.489	2.597	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000009332700	555101624	/nfs/dbraw/zinc/10/16/24/555101624.db2.gz	KPLGJLYESKJSKL-LZISPXOZSA-N	0	1	476.489	2.651	40	5		JFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009411198	555178502	/nfs/dbraw/zinc/17/85/02/555178502.db2.gz	NXBREAHTFNTVLB-YASKCIBGSA-N	0	1	460.490	2.951	40	5		JFBBMN
C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2[C@H](C)O1	ZINC000009450826	555223244	/nfs/dbraw/zinc/22/32/44/555223244.db2.gz	LUOMEPYOYBJMST-RQOZVNRLSA-N	0	1	468.441	2.542	40	5		JFBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000016001664	556106952	/nfs/dbraw/zinc/10/69/52/556106952.db2.gz	QPMCFPFDNOSRMU-WKVINZIJSA-N	0	1	476.489	2.651	40	5		JFBBMN
CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1	ZINC000016681607	556151208	/nfs/dbraw/zinc/15/12/08/556151208.db2.gz	OQKFQSWGSHLRJS-UHFFFAOYSA-N	0	1	456.499	2.931	40	5		JFBBMN
CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(O)c12	ZINC000100942620	569777028	/nfs/dbraw/zinc/77/70/28/569777028.db2.gz	OZHLIGBCQPGARM-NVXWUHKLSA-N	0	1	457.240	2.681	40	5		JFBBMN
C[C@H]1O[C@@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@H]12	ZINC000102778953	569823700	/nfs/dbraw/zinc/82/37/00/569823700.db2.gz	LUOMEPYOYBJMST-UCSKIROJSA-N	0	1	468.441	2.542	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000103526899	569835713	/nfs/dbraw/zinc/83/57/13/569835713.db2.gz	KPLGJLYESKJSKL-VSRHEVROSA-N	0	1	476.489	2.651	40	5		JFBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000103549045	569836113	/nfs/dbraw/zinc/83/61/13/569836113.db2.gz	QPMCFPFDNOSRMU-ILDDTBCLSA-N	0	1	476.489	2.651	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCSC)N[C@@]32C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-]	ZINC000104097321	569840940	/nfs/dbraw/zinc/84/09/40/569840940.db2.gz	FFBWWZVOBWOVDP-BNVGKWPLSA-N	0	1	496.545	2.590	40	5		JFBBMN
Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c1	ZINC000009187051	554959454	/nfs/dbraw/zinc/95/94/54/554959454.db2.gz	VIKGSKDCLWACFL-OKAYXYTKSA-N	0	1	464.478	2.711	40	5		JFBBMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035807562	569711679	/nfs/dbraw/zinc/71/16/79/569711679.db2.gz	JXJJMGSQELOSHD-RZJPEOLTSA-N	0	1	490.516	2.905	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3CCSC)C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-]	ZINC000035852001	569716781	/nfs/dbraw/zinc/71/67/81/569716781.db2.gz	FFBWWZVOBWOVDP-YTCTWSIISA-N	0	1	496.545	2.590	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000035855587	569716925	/nfs/dbraw/zinc/71/69/25/569716925.db2.gz	KPLGJLYESKJSKL-FFTAAJLNSA-N	0	1	476.489	2.651	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000102561348	569814208	/nfs/dbraw/zinc/81/42/08/569814208.db2.gz	HZDWVKGWUBXHGJ-YASKCIBGSA-N	0	1	460.490	2.897	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000102562418	569814268	/nfs/dbraw/zinc/81/42/68/569814268.db2.gz	NVRLWMYLXRFBHU-ILDDTBCLSA-N	0	1	476.489	2.597	40	5		JFBBMN
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000103507505	569835489	/nfs/dbraw/zinc/83/54/89/569835489.db2.gz	ONDUZDKAUDVKMM-JKPKGCNWSA-N	0	1	460.490	2.749	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000104084186	569840475	/nfs/dbraw/zinc/84/04/75/569840475.db2.gz	UHVFHSHMKTYUAX-ZHBILRMLSA-N	0	1	476.489	2.597	40	5		JFBBMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000104089004	569840665	/nfs/dbraw/zinc/84/06/65/569840665.db2.gz	GABKCMHSHTWCJJ-QTDDQOEGSA-N	0	1	460.490	2.897	40	5		JFBBMN
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc([N+](=O)[O-])c1O	ZINC000409193583	570162785	/nfs/dbraw/zinc/16/27/85/570162785.db2.gz	HFMHSWJKLQFRKD-CAOOACKPSA-N	0	1	487.446	2.755	40	5		JFBBMN
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000009354003	555118326	/nfs/dbraw/zinc/11/83/26/555118326.db2.gz	KFEVPYJQFFLOEZ-UVLLPENVSA-N	0	1	452.854	2.679	40	5		JFBBMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009358719	555122872	/nfs/dbraw/zinc/12/28/72/555122872.db2.gz	GLNWQPJYBYNRKG-ZQAYVECASA-N	0	1	466.881	2.988	40	5		JFBBMN
Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009451034	555223441	/nfs/dbraw/zinc/22/34/41/555223441.db2.gz	NLJFZWILDCTVKR-OKAYXYTKSA-N	0	1	464.478	2.711	40	5		JFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000034793152	569660657	/nfs/dbraw/zinc/66/06/57/569660657.db2.gz	NXBREAHTFNTVLB-PUFAWVJESA-N	0	1	460.490	2.951	40	5		JFBBMN
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035833097	569713253	/nfs/dbraw/zinc/71/32/53/569713253.db2.gz	PPZSONNTLFUKJX-RZJPEOLTSA-N	0	1	490.516	2.757	40	5		JFBBMN
Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035844022	569714723	/nfs/dbraw/zinc/71/47/23/569714723.db2.gz	PQKBSASVPJIMLH-OMGHFUJISA-N	0	1	466.881	2.988	40	5		JFBBMN
CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(-c4ccc(OC)cc4)c(=O)c3cc2c1=O	ZINC000040399127	569826071	/nfs/dbraw/zinc/82/60/71/569826071.db2.gz	BVFHMWHSHNGQGC-UHFFFAOYSA-N	0	1	471.473	2.907	40	5		JFBBMN
CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	ZINC000103996277	569839771	/nfs/dbraw/zinc/83/97/71/569839771.db2.gz	JBEVVQKBUZUCMO-ZQDYSYBYSA-N	0	1	466.519	2.581	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104062763	569840269	/nfs/dbraw/zinc/84/02/69/569840269.db2.gz	JKVBXPAQIQGZPG-WYKWESTDSA-N	0	1	476.489	2.651	40	5		JFBBMN
CCOc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000102784634	130301368	/nfs/dbraw/zinc/30/13/68/130301368.db2.gz	FWTKOEFFKWYWBX-BTJSHIJGSA-N	0	1	494.504	2.801	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000102893950	130376012	/nfs/dbraw/zinc/37/60/12/130376012.db2.gz	XKDZDNYNWNYBJG-GPNHVJLWSA-N	0	1	490.516	2.905	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009332299	555101672	/nfs/dbraw/zinc/10/16/72/555101672.db2.gz	VMUQMFUXIVMSOG-MVOHMCPASA-N	0	1	460.490	2.897	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000016013114	556112056	/nfs/dbraw/zinc/11/20/56/556112056.db2.gz	KPLGJLYESKJSKL-OIBPMIBVSA-N	0	1	476.489	2.651	40	5		JFBBMN
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000016039162	556120983	/nfs/dbraw/zinc/12/09/83/556120983.db2.gz	KFEVPYJQFFLOEZ-KLSTYFJDSA-N	0	1	452.854	2.679	40	5		JFBBMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000034868771	569668178	/nfs/dbraw/zinc/66/81/78/569668178.db2.gz	PBVSOIVDCRGCAE-UYCVCSCRSA-N	0	1	466.881	2.988	40	5		JFBBMN
Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035844024	569714650	/nfs/dbraw/zinc/71/46/50/569714650.db2.gz	PQKBSASVPJIMLH-CXIOKZBNSA-N	0	1	466.881	2.988	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	ZINC000035851764	569716655	/nfs/dbraw/zinc/71/66/55/569716655.db2.gz	XJYXYMPDDXSKRB-OHAZUCAYSA-N	0	1	498.495	2.771	40	5		JFBBMN
CCOC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(O)c12	ZINC000100942655	569777060	/nfs/dbraw/zinc/77/70/60/569777060.db2.gz	YIQFDRMKHJZGSR-NVXWUHKLSA-N	0	1	487.266	2.655	40	5		JFBBMN
CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]12	ZINC000102558254	569814216	/nfs/dbraw/zinc/81/42/16/569814216.db2.gz	QBUOBADNLLMEEU-LPSTTYAQSA-N	0	1	466.519	2.581	40	5		JFBBMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000104084180	569840561	/nfs/dbraw/zinc/84/05/61/569840561.db2.gz	UHVFHSHMKTYUAX-GUQHISFFSA-N	0	1	476.489	2.597	40	5		JFBBMN
COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409043543	570108105	/nfs/dbraw/zinc/10/81/05/570108105.db2.gz	RRCXPTQFZXEDGX-VGOFMYFVSA-N	0	1	495.229	2.967	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)C(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O	ZINC000409296854	570195606	/nfs/dbraw/zinc/19/56/06/570195606.db2.gz	RTUOWDCZYDFEME-SFTDATJTSA-N	0	1	490.424	2.928	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O	ZINC000409296854	570195607	/nfs/dbraw/zinc/19/56/07/570195607.db2.gz	RTUOWDCZYDFEME-SFTDATJTSA-N	0	1	490.424	2.928	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009242533	194627380	/nfs/dbraw/zinc/62/73/80/194627380.db2.gz	SAEDGDGIBNELAE-MVOHMCPASA-N	0	1	460.490	2.951	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009109584	554897991	/nfs/dbraw/zinc/89/79/91/554897991.db2.gz	GABKCMHSHTWCJJ-HSGJQSDISA-N	0	1	460.490	2.897	40	5		JFBBMN
CCc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009187831	554960163	/nfs/dbraw/zinc/96/01/63/554960163.db2.gz	PSGOFQVCFAYQCT-XSRDSEMUSA-N	0	1	478.505	2.965	40	5		JFBBMN
CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]21	ZINC000009312501	555088857	/nfs/dbraw/zinc/08/88/57/555088857.db2.gz	JBEVVQKBUZUCMO-YRAONVGVSA-N	0	1	466.519	2.581	40	5		JFBBMN
CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]21	ZINC000009319545	555093868	/nfs/dbraw/zinc/09/38/68/555093868.db2.gz	QBUOBADNLLMEEU-HTIQSUCMSA-N	0	1	466.519	2.581	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@]32C(=O)Nc3c2cccc3C)c(C)cc1[N+](=O)[O-]	ZINC000009327919	555098605	/nfs/dbraw/zinc/09/86/05/555098605.db2.gz	PNDPJSJGPBXDLY-SDMYACPNSA-N	0	1	476.489	2.651	40	5		JFBBMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000009361275	555123889	/nfs/dbraw/zinc/12/38/89/555123889.db2.gz	STZFWFBWYIPTPF-NAZDKBRTSA-N	0	1	460.490	2.749	40	5		JFBBMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000057315932	569597358	/nfs/dbraw/zinc/59/73/58/569597358.db2.gz	AAFFYKPLWYJOKC-UHFFFAOYSA-N	0	1	471.539	2.568	40	5		JFBBMN
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035843171	569714099	/nfs/dbraw/zinc/71/40/99/569714099.db2.gz	JXRUVWHDCWOPEW-JKPKGCNWSA-N	0	1	460.490	2.749	40	5		JFBBMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843988	569714766	/nfs/dbraw/zinc/71/47/66/569714766.db2.gz	GLNWQPJYBYNRKG-GBPOLFSSSA-N	0	1	466.881	2.988	40	5		JFBBMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@H]43)C2=O)c1	ZINC000102782293	569823809	/nfs/dbraw/zinc/82/38/09/569823809.db2.gz	VIKGSKDCLWACFL-NDJZIXSNSA-N	0	1	464.478	2.711	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000103550921	569836069	/nfs/dbraw/zinc/83/60/69/569836069.db2.gz	QVZAKHWBXOTNEC-QAFKQIQMSA-N	0	1	490.516	2.960	40	5		JFBBMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000104011819	569839925	/nfs/dbraw/zinc/83/99/25/569839925.db2.gz	PBVSOIVDCRGCAE-NZQNYPKQSA-N	0	1	466.881	2.988	40	5		JFBBMN
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000104069487	569840367	/nfs/dbraw/zinc/84/03/67/569840367.db2.gz	FAUSJBUQIDAASR-UVLLPENVSA-N	0	1	452.854	2.679	40	5		JFBBMN
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C2=O)cc1	ZINC000409232043	570178127	/nfs/dbraw/zinc/17/81/27/570178127.db2.gz	MSQZFFNMBCSQCS-LZYBPNLTSA-N	0	1	459.436	2.993	40	5		JFBBMN
CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12	ZINC000102884160	130365197	/nfs/dbraw/zinc/36/51/97/130365197.db2.gz	PABJJFGGOMAVAZ-YQYRJILISA-N	0	1	466.519	2.581	40	5		JFBBMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000020484377	524592498	/nfs/dbraw/zinc/59/24/98/524592498.db2.gz	SBGSVHODHNXLMD-UHFFFAOYSA-N	0	1	477.524	2.744	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009013927	554865236	/nfs/dbraw/zinc/86/52/36/554865236.db2.gz	HZDWVKGWUBXHGJ-MVOHMCPASA-N	0	1	460.490	2.897	40	5		JFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009287106	555060644	/nfs/dbraw/zinc/06/06/44/555060644.db2.gz	JDYKBEHBYKZQFT-KYCQWFEFSA-N	0	1	460.490	2.951	40	5		JFBBMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000009357671	555122422	/nfs/dbraw/zinc/12/24/22/555122422.db2.gz	JXRUVWHDCWOPEW-MASGSYHESA-N	0	1	460.490	2.749	40	5		JFBBMN
CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]21	ZINC000016010066	556109030	/nfs/dbraw/zinc/10/90/30/556109030.db2.gz	PABJJFGGOMAVAZ-YRAONVGVSA-N	0	1	466.519	2.581	40	5		JFBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000035843263	569714397	/nfs/dbraw/zinc/71/43/97/569714397.db2.gz	GKDNGYRMOYIJID-NRGSMNHXSA-N	0	1	476.489	2.651	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851805	569716603	/nfs/dbraw/zinc/71/66/03/569716603.db2.gz	HZDWVKGWUBXHGJ-KYCQWFEFSA-N	0	1	460.490	2.897	40	5		JFBBMN
COc1cc(N2C(=O)[C@H]3[C@@H](CCSC)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000035852002	569716815	/nfs/dbraw/zinc/71/68/15/569716815.db2.gz	FFBWWZVOBWOVDP-BBOHXYNISA-N	0	1	496.545	2.590	40	5		JFBBMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@H]43)C2=O)c1	ZINC000102782287	569823744	/nfs/dbraw/zinc/82/37/44/569823744.db2.gz	VIKGSKDCLWACFL-BMZLUOIXSA-N	0	1	464.478	2.711	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000104063605	569840277	/nfs/dbraw/zinc/84/02/77/569840277.db2.gz	IRQJPZFFSINUDE-FFTAAJLNSA-N	0	1	476.489	2.651	40	5		JFBBMN
O=C(OC1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409305001	570197803	/nfs/dbraw/zinc/19/78/03/570197803.db2.gz	LIKMFKVPVZCHLY-WOJBJXKFSA-N	0	1	460.398	2.919	40	5		JFBBMN
O=C(O[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409305001	570197805	/nfs/dbraw/zinc/19/78/05/570197805.db2.gz	LIKMFKVPVZCHLY-WOJBJXKFSA-N	0	1	460.398	2.919	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000096402895	130079221	/nfs/dbraw/zinc/07/92/21/130079221.db2.gz	JCGUMOXBJODQDW-KYCQWFEFSA-N	0	1	460.490	2.951	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000102893946	130376208	/nfs/dbraw/zinc/37/62/08/130376208.db2.gz	XKDZDNYNWNYBJG-QAFKQIQMSA-N	0	1	490.516	2.905	40	5		JFBBMN
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000002260495	554121542	/nfs/dbraw/zinc/12/15/42/554121542.db2.gz	KFEVPYJQFFLOEZ-XNGFIGEISA-N	0	1	452.854	2.679	40	5		JFBBMN
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000009328760	555099254	/nfs/dbraw/zinc/09/92/54/555099254.db2.gz	FAUSJBUQIDAASR-XNGFIGEISA-N	0	1	452.854	2.679	40	5		JFBBMN
CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]21	ZINC000016009613	556108257	/nfs/dbraw/zinc/10/82/57/556108257.db2.gz	QBUOBADNLLMEEU-NSNOHRKYSA-N	0	1	466.519	2.581	40	5		JFBBMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000057312795	569596313	/nfs/dbraw/zinc/59/63/13/569596313.db2.gz	ZIFYESVMMFEOEV-UHFFFAOYSA-N	0	1	467.526	2.986	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851905	569716779	/nfs/dbraw/zinc/71/67/79/569716779.db2.gz	VMUQMFUXIVMSOG-KYCQWFEFSA-N	0	1	460.490	2.897	40	5		JFBBMN
O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2	ZINC000101027446	569780022	/nfs/dbraw/zinc/78/00/22/569780022.db2.gz	CXJBOGIOWQBSGB-LZWOXQAQSA-N	0	1	455.473	2.846	40	5		JFBBMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@H]43)C2=O)cc1	ZINC000102779039	569823724	/nfs/dbraw/zinc/82/37/24/569823724.db2.gz	NLJFZWILDCTVKR-NDJZIXSNSA-N	0	1	464.478	2.711	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103543881	569836099	/nfs/dbraw/zinc/83/60/99/569836099.db2.gz	JXJJMGSQELOSHD-IZNSETQVSA-N	0	1	490.516	2.905	40	5		JFBBMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000104052976	569840169	/nfs/dbraw/zinc/84/01/69/569840169.db2.gz	GLNWQPJYBYNRKG-FZONSQQESA-N	0	1	466.881	2.988	40	5		JFBBMN
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409019756	570102590	/nfs/dbraw/zinc/10/25/90/570102590.db2.gz	KOEJDLOOTVUFDO-CPNJWEJPSA-N	0	1	498.517	2.694	40	5		JFBBMN
O=C1NC(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)N1	ZINC000409055541	570111526	/nfs/dbraw/zinc/11/15/26/570111526.db2.gz	JCQFJJYNDOOJJQ-RIYZIHGNSA-N	0	1	465.203	2.959	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000008968948	554843039	/nfs/dbraw/zinc/84/30/39/554843039.db2.gz	WONQTOWVPWJVQJ-WKVINZIJSA-N	0	1	460.490	2.951	40	5		JFBBMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c1	ZINC000009187050	554959361	/nfs/dbraw/zinc/95/93/61/554959361.db2.gz	VIKGSKDCLWACFL-BDCMKYTISA-N	0	1	464.478	2.711	40	5		JFBBMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000009358174	555122529	/nfs/dbraw/zinc/12/25/29/555122529.db2.gz	PPZSONNTLFUKJX-WUABMQKPSA-N	0	1	490.516	2.757	40	5		JFBBMN
O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2	ZINC000018157641	556295836	/nfs/dbraw/zinc/29/58/36/556295836.db2.gz	CXJBOGIOWQBSGB-DZKIICNBSA-N	0	1	455.473	2.846	40	5		JFBBMN
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035843172	569714118	/nfs/dbraw/zinc/71/41/18/569714118.db2.gz	JXRUVWHDCWOPEW-GUQHISFFSA-N	0	1	460.490	2.749	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3c2cccc3C)c(C)cc1[N+](=O)[O-]	ZINC000035844142	569714871	/nfs/dbraw/zinc/71/48/71/569714871.db2.gz	PNDPJSJGPBXDLY-SJFBNKFASA-N	0	1	476.489	2.651	40	5		JFBBMN
CCOC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(O)c12	ZINC000100942658	569777047	/nfs/dbraw/zinc/77/70/47/569777047.db2.gz	YIQFDRMKHJZGSR-DOTOQJQBSA-N	0	1	487.266	2.655	40	5		JFBBMN
CCc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000102782194	569823689	/nfs/dbraw/zinc/82/36/89/569823689.db2.gz	PSGOFQVCFAYQCT-BTJSHIJGSA-N	0	1	478.505	2.965	40	5		JFBBMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@H]43)C2=O)cc1	ZINC000102779033	569823716	/nfs/dbraw/zinc/82/37/16/569823716.db2.gz	NLJFZWILDCTVKR-BMZLUOIXSA-N	0	1	464.478	2.711	40	5		JFBBMN
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1O	ZINC000409021145	570103054	/nfs/dbraw/zinc/10/30/54/570103054.db2.gz	YHLDNNZYTXIBRG-XDHOZWIPSA-N	0	1	498.517	2.694	40	5		JFBBMN
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)c1O	ZINC000409232393	570178283	/nfs/dbraw/zinc/17/82/83/570178283.db2.gz	OQHARHWWOLZYJW-LICLKQGHSA-N	0	1	454.439	2.793	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)C(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O	ZINC000409296850	570195585	/nfs/dbraw/zinc/19/55/85/570195585.db2.gz	RTUOWDCZYDFEME-NHCUHLMSSA-N	0	1	490.424	2.928	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O	ZINC000409296850	570195586	/nfs/dbraw/zinc/19/55/86/570195586.db2.gz	RTUOWDCZYDFEME-NHCUHLMSSA-N	0	1	490.424	2.928	40	5		JFBBMN
CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(O)c12	ZINC000016138922	519370792	/nfs/dbraw/zinc/37/07/92/519370792.db2.gz	OZHLIGBCQPGARM-RDJZCZTQSA-N	0	1	457.240	2.681	40	5		JFBBMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035807206	524059584	/nfs/dbraw/zinc/05/95/84/524059584.db2.gz	UDGNBLFELYPSCF-GUQHISFFSA-N	0	1	460.490	2.897	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035807208	524059631	/nfs/dbraw/zinc/05/96/31/524059631.db2.gz	UDGNBLFELYPSCF-JKPKGCNWSA-N	0	1	460.490	2.897	40	5		JFBBMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009242428	555017435	/nfs/dbraw/zinc/01/74/35/555017435.db2.gz	PBVSOIVDCRGCAE-DYVMYPEFSA-N	0	1	466.881	2.988	40	5		JFBBMN
CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]21	ZINC000009316513	555091696	/nfs/dbraw/zinc/09/16/96/555091696.db2.gz	PABJJFGGOMAVAZ-QYUDBREXSA-N	0	1	466.519	2.581	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000009327764	555098390	/nfs/dbraw/zinc/09/83/90/555098390.db2.gz	IRQJPZFFSINUDE-OIBPMIBVSA-N	0	1	476.489	2.651	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@]32C(=O)Nc3c2cc(C)cc3C)c(C)cc1[N+](=O)[O-]	ZINC000009357179	555122161	/nfs/dbraw/zinc/12/21/61/555122161.db2.gz	DCDMBJTUWWNVQF-WYMULPSZSA-N	0	1	490.516	2.960	40	5		JFBBMN
CCOc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009433856	555204346	/nfs/dbraw/zinc/20/43/46/555204346.db2.gz	FWTKOEFFKWYWBX-XSXFHOMPSA-N	0	1	494.504	2.801	40	5		JFBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000016000308	556104945	/nfs/dbraw/zinc/10/49/45/556104945.db2.gz	GKDNGYRMOYIJID-ILDDTBCLSA-N	0	1	476.489	2.651	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000033716956	569631706	/nfs/dbraw/zinc/63/17/06/569631706.db2.gz	IRQJPZFFSINUDE-LZISPXOZSA-N	0	1	476.489	2.651	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000035843204	569714428	/nfs/dbraw/zinc/71/44/28/569714428.db2.gz	QVZAKHWBXOTNEC-RRQFZRKBSA-N	0	1	490.516	2.960	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851628	569716416	/nfs/dbraw/zinc/71/64/16/569716416.db2.gz	PHUVHVWSULCPLS-FFTAAJLNSA-N	0	1	476.489	2.597	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851778	569716597	/nfs/dbraw/zinc/71/65/97/569716597.db2.gz	MNSPYMWCHIEMMQ-GIMAVKCBSA-N	0	1	476.489	2.597	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035855375	569716909	/nfs/dbraw/zinc/71/69/09/569716909.db2.gz	UHVFHSHMKTYUAX-JKPKGCNWSA-N	0	1	476.489	2.597	40	5		JFBBMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035855597	569716990	/nfs/dbraw/zinc/71/69/90/569716990.db2.gz	ONDUZDKAUDVKMM-MASGSYHESA-N	0	1	460.490	2.749	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035852047	569717026	/nfs/dbraw/zinc/71/70/26/569717026.db2.gz	GABKCMHSHTWCJJ-YCFYUYSTSA-N	0	1	460.490	2.897	40	5		JFBBMN
O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2	ZINC000101027449	569779953	/nfs/dbraw/zinc/77/99/53/569779953.db2.gz	CXJBOGIOWQBSGB-FMKPAKJESA-N	0	1	455.473	2.846	40	5		JFBBMN
CCc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000102782193	569823711	/nfs/dbraw/zinc/82/37/11/569823711.db2.gz	PSGOFQVCFAYQCT-MYLOEWHJSA-N	0	1	478.505	2.965	40	5		JFBBMN
CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O	ZINC000040399113	569826195	/nfs/dbraw/zinc/82/61/95/569826195.db2.gz	IARRLAUXHARXIP-UHFFFAOYSA-N	0	1	455.474	2.957	40	5		JFBBMN
Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103548793	569836084	/nfs/dbraw/zinc/83/60/84/569836084.db2.gz	PQKBSASVPJIMLH-SAQZZPNQSA-N	0	1	466.881	2.988	40	5		JFBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000009349779	555116898	/nfs/dbraw/zinc/11/68/98/555116898.db2.gz	GKDNGYRMOYIJID-WKVINZIJSA-N	0	1	476.489	2.651	40	5		JFBBMN
O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2	ZINC000013638993	555546193	/nfs/dbraw/zinc/54/61/93/555546193.db2.gz	CXJBOGIOWQBSGB-YCPHGPKFSA-N	0	1	455.473	2.846	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000015999300	556104563	/nfs/dbraw/zinc/10/45/63/556104563.db2.gz	DCDMBJTUWWNVQF-QAFKQIQMSA-N	0	1	490.516	2.960	40	5		JFBBMN
CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]12	ZINC000016009614	556108166	/nfs/dbraw/zinc/10/81/66/556108166.db2.gz	QBUOBADNLLMEEU-JYISGYRJSA-N	0	1	466.519	2.581	40	5		JFBBMN
CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12	ZINC000016010067	556109477	/nfs/dbraw/zinc/10/94/77/556109477.db2.gz	PABJJFGGOMAVAZ-ZQDYSYBYSA-N	0	1	466.519	2.581	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851658	569716557	/nfs/dbraw/zinc/71/65/57/569716557.db2.gz	ZFVZIBJAYAXLND-YCFYUYSTSA-N	0	1	460.490	2.897	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851734	569716652	/nfs/dbraw/zinc/71/66/52/569716652.db2.gz	WONQTOWVPWJVQJ-ILDDTBCLSA-N	0	1	460.490	2.951	40	5		JFBBMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035851889	569716768	/nfs/dbraw/zinc/71/67/68/569716768.db2.gz	ASKKDZSGXQSJSE-NAZDKBRTSA-N	0	1	460.490	2.749	40	5		JFBBMN
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000103507508	569835476	/nfs/dbraw/zinc/83/54/76/569835476.db2.gz	ONDUZDKAUDVKMM-GUQHISFFSA-N	0	1	460.490	2.749	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104064547	569840311	/nfs/dbraw/zinc/84/03/11/569840311.db2.gz	PNDPJSJGPBXDLY-NQAQNOALSA-N	0	1	476.489	2.651	40	5		JFBBMN
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc([N+](=O)[O-])c1O	ZINC000409237882	570180675	/nfs/dbraw/zinc/18/06/75/570180675.db2.gz	JIBGQNLWUMWVRC-CXUHLZMHSA-N	0	1	454.439	2.793	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009350760	555117172	/nfs/dbraw/zinc/11/71/72/555117172.db2.gz	QOZZZKKZISDQMQ-NRGSMNHXSA-N	0	1	460.490	2.951	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@]32C(=O)Nc3c2ccc(C)c3C)c(C)cc1[N+](=O)[O-]	ZINC000015999259	556104167	/nfs/dbraw/zinc/10/41/67/556104167.db2.gz	QVZAKHWBXOTNEC-WYMULPSZSA-N	0	1	490.516	2.960	40	5		JFBBMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1	ZINC000057313493	569596673	/nfs/dbraw/zinc/59/66/73/569596673.db2.gz	PJMTYLWTWZJFKY-UHFFFAOYSA-N	0	1	471.539	2.568	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851921	569716760	/nfs/dbraw/zinc/71/67/60/569716760.db2.gz	JCGUMOXBJODQDW-PUFAWVJESA-N	0	1	460.490	2.951	40	5		JFBBMN
CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(O)c12	ZINC000100942625	569777022	/nfs/dbraw/zinc/77/70/22/569777022.db2.gz	OZHLIGBCQPGARM-DOTOQJQBSA-N	0	1	457.240	2.681	40	5		JFBBMN
CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(Cc4ccccc4OC)c(=O)c3cc2c1=O	ZINC000040399116	569826095	/nfs/dbraw/zinc/82/60/95/569826095.db2.gz	XKHZMRRUIDOWJO-UHFFFAOYSA-N	0	1	485.500	2.966	40	5		JFBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000103549051	569836079	/nfs/dbraw/zinc/83/60/79/569836079.db2.gz	QPMCFPFDNOSRMU-NRGSMNHXSA-N	0	1	476.489	2.651	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103557560	569836231	/nfs/dbraw/zinc/83/62/31/569836231.db2.gz	SAEDGDGIBNELAE-YASKCIBGSA-N	0	1	460.490	2.951	40	5		JFBBMN
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1O	ZINC000409153904	570150031	/nfs/dbraw/zinc/15/00/31/570150031.db2.gz	NYFJBVLSSYOALG-OMCISZLKSA-N	0	1	473.419	2.713	40	5		JFBBMN
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000409164662	570152960	/nfs/dbraw/zinc/15/29/60/570152960.db2.gz	LQZOZJVJEPEZAC-CXUHLZMHSA-N	0	1	459.436	2.993	40	5		JFBBMN
CCc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009186995	554959335	/nfs/dbraw/zinc/95/93/35/554959335.db2.gz	PSGOFQVCFAYQCT-XSXFHOMPSA-N	0	1	478.505	2.965	40	5		JFBBMN
CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000009332041	555101415	/nfs/dbraw/zinc/10/14/15/555101415.db2.gz	LFTROCONTVASFP-AYMMHLMVSA-N	0	1	454.870	2.829	40	5		JFBBMN
CCOc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009348228	555114432	/nfs/dbraw/zinc/11/44/32/555114432.db2.gz	FWTKOEFFKWYWBX-XSRDSEMUSA-N	0	1	494.504	2.801	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000016001883	556106708	/nfs/dbraw/zinc/10/67/08/556106708.db2.gz	PNDPJSJGPBXDLY-NLJLEJFHSA-N	0	1	476.489	2.651	40	5		JFBBMN
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035833095	569713154	/nfs/dbraw/zinc/71/31/54/569713154.db2.gz	PPZSONNTLFUKJX-IZNSETQVSA-N	0	1	490.516	2.757	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851751	569716554	/nfs/dbraw/zinc/71/65/54/569716554.db2.gz	XKDZDNYNWNYBJG-RRQFZRKBSA-N	0	1	490.516	2.905	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2Cc2ccccc2)C(=O)Nc2ccccc21	ZINC000035851763	569716605	/nfs/dbraw/zinc/71/66/05/569716605.db2.gz	XJYXYMPDDXSKRB-QLCJKUNUSA-N	0	1	498.495	2.771	40	5		JFBBMN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccccc21	ZINC000035851920	569716805	/nfs/dbraw/zinc/71/68/05/569716805.db2.gz	OUHKGQMISZFWAN-NFEIJPORSA-N	0	1	498.495	2.777	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851922	569716827	/nfs/dbraw/zinc/71/68/27/569716827.db2.gz	JCGUMOXBJODQDW-MVOHMCPASA-N	0	1	460.490	2.951	40	5		JFBBMN
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000103507564	569835481	/nfs/dbraw/zinc/83/54/81/569835481.db2.gz	ASKKDZSGXQSJSE-YCFYUYSTSA-N	0	1	460.490	2.749	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3ccc(C)cc32)c(C)cc1[N+](=O)[O-]	ZINC000033688499	522630128	/nfs/dbraw/zinc/63/01/28/522630128.db2.gz	JKVBXPAQIQGZPG-IJUKNHKESA-N	0	1	476.489	2.651	40	5		JFBBMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009088438	554890189	/nfs/dbraw/zinc/89/01/89/554890189.db2.gz	ZFVZIBJAYAXLND-QTDDQOEGSA-N	0	1	460.490	2.897	40	5		JFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009287114	555060606	/nfs/dbraw/zinc/06/06/06/555060606.db2.gz	JDYKBEHBYKZQFT-PUFAWVJESA-N	0	1	460.490	2.951	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009356797	555122182	/nfs/dbraw/zinc/12/21/82/555122182.db2.gz	MNSPYMWCHIEMMQ-DUHPJZPXSA-N	0	1	476.489	2.597	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3c2ccc(C)c3C)c(C)cc1[N+](=O)[O-]	ZINC000009360315	555123657	/nfs/dbraw/zinc/12/36/57/555123657.db2.gz	QVZAKHWBXOTNEC-GPNHVJLWSA-N	0	1	490.516	2.960	40	5		JFBBMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@]32C(=O)Nc3ccc(C)cc32)c(C)cc1[N+](=O)[O-]	ZINC000015996100	556102918	/nfs/dbraw/zinc/10/29/18/556102918.db2.gz	JKVBXPAQIQGZPG-FAELBMERSA-N	0	1	476.489	2.651	40	5		JFBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000016000703	556105335	/nfs/dbraw/zinc/10/53/35/556105335.db2.gz	IRQJPZFFSINUDE-VSRHEVROSA-N	0	1	476.489	2.651	40	5		JFBBMN
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000016033696	556117736	/nfs/dbraw/zinc/11/77/36/556117736.db2.gz	FAUSJBUQIDAASR-KLSTYFJDSA-N	0	1	452.854	2.679	40	5		JFBBMN
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035830025	569713210	/nfs/dbraw/zinc/71/32/10/569713210.db2.gz	STZFWFBWYIPTPF-YCFYUYSTSA-N	0	1	460.490	2.749	40	5		JFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843299	569714424	/nfs/dbraw/zinc/71/44/24/569714424.db2.gz	QOZZZKKZISDQMQ-DRCLYLBJSA-N	0	1	460.490	2.951	40	5		JFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035855493	569716902	/nfs/dbraw/zinc/71/69/02/569716902.db2.gz	NVRLWMYLXRFBHU-DRCLYLBJSA-N	0	1	476.489	2.597	40	5		JFBBMN
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035889631	569721567	/nfs/dbraw/zinc/72/15/67/569721567.db2.gz	FAUSJBUQIDAASR-YDGKCNFYSA-N	0	1	452.854	2.679	40	5		JFBBMN
CCc1n[nH]c(-n2ccc3nc4ccn(CCc5ccc(OC)c(OC)c5)c(=O)c4cc3c2=O)n1	ZINC000040399154	569826184	/nfs/dbraw/zinc/82/61/84/569826184.db2.gz	GLNRTPRABWQABQ-UHFFFAOYSA-N	0	1	472.505	2.641	40	5		JFBBMN
CCc1nc(-n2ccc3nc4ccn(CCc5ccc(OC)c(OC)c5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399154	569826185	/nfs/dbraw/zinc/82/61/85/569826185.db2.gz	GLNRTPRABWQABQ-UHFFFAOYSA-N	0	1	472.505	2.641	40	5		JFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103545417	569836119	/nfs/dbraw/zinc/83/61/19/569836119.db2.gz	UDGNBLFELYPSCF-ZHBILRMLSA-N	0	1	460.490	2.897	40	5		JFBBMN
O=C1NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)N1	ZINC000409049143	570109490	/nfs/dbraw/zinc/10/94/90/570109490.db2.gz	VANSSBNHJYLHAS-RIYZIHGNSA-N	0	1	465.203	2.959	40	5		JFBBMN