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]2CCC[N@@H+]21	ZINC000096402894	130079167	/nfs/dbraw/zinc/07/91/67/130079167.db2.gz	JCGUMOXBJODQDW-YASKCIBGSA-N	1	0	460.490	2.951	40	5		JFBBRO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009088440	554890271	/nfs/dbraw/zinc/89/02/71/554890271.db2.gz	ZFVZIBJAYAXLND-HSGJQSDISA-N	1	0	460.490	2.897	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009329512	555100302	/nfs/dbraw/zinc/10/03/02/555100302.db2.gz	NVRLWMYLXRFBHU-NRGSMNHXSA-N	1	0	476.489	2.597	40	5		JFBBRO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](Cc3ccc(O)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	ZINC000009356988	555122078	/nfs/dbraw/zinc/12/20/78/555122078.db2.gz	OUHKGQMISZFWAN-RLYAYYKLSA-N	1	0	498.495	2.777	40	5		JFBBRO
COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013669076	555558776	/nfs/dbraw/zinc/55/87/76/555558776.db2.gz	MHTQOJHUBHWGEP-UHFFFAOYSA-N	1	0	498.989	2.828	40	5		JFBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000033912785	569637421	/nfs/dbraw/zinc/63/74/21/569637421.db2.gz	QPMCFPFDNOSRMU-DRCLYLBJSA-N	1	0	476.489	2.651	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000035843183	569714190	/nfs/dbraw/zinc/71/41/90/569714190.db2.gz	JDYKBEHBYKZQFT-YASKCIBGSA-N	1	0	460.490	2.951	40	5		JFBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000104040139	569840047	/nfs/dbraw/zinc/84/00/47/569840047.db2.gz	GKDNGYRMOYIJID-DRCLYLBJSA-N	1	0	476.489	2.651	40	5		JFBBRO
C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224630539	569951551	/nfs/dbraw/zinc/95/15/51/569951551.db2.gz	OXBDYUQNUBQHQS-KRWDZBQOSA-N	1	0	460.556	2.662	40	5		JFBBRO
[NH3+]C(CO)(CO)CCc1ccc(OCCCCCCNc2ccc([N+](=O)[O-])c3nonc32)cc1	ZINC000044676009	527124127	/nfs/dbraw/zinc/12/41/27/527124127.db2.gz	QXYAHIAMBQPJRG-UHFFFAOYSA-N	1	0	473.530	2.797	40	5	in-vitro	JFBBRO
CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000027012353	556268167	/nfs/dbraw/zinc/26/81/67/556268167.db2.gz	LFTROCONTVASFP-FOUBCARRSA-N	1	0	454.870	2.829	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000035807564	569711635	/nfs/dbraw/zinc/71/16/35/569711635.db2.gz	JXJJMGSQELOSHD-WGXFTBGVSA-N	1	0	490.516	2.905	40	5		JFBBRO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035830027	569713257	/nfs/dbraw/zinc/71/32/57/569713257.db2.gz	STZFWFBWYIPTPF-QTDDQOEGSA-N	1	0	460.490	2.749	40	5		JFBBRO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035843298	569714271	/nfs/dbraw/zinc/71/42/71/569714271.db2.gz	QOZZZKKZISDQMQ-WKVINZIJSA-N	1	0	460.490	2.951	40	5		JFBBRO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035843212	569714398	/nfs/dbraw/zinc/71/43/98/569714398.db2.gz	SAEDGDGIBNELAE-KYCQWFEFSA-N	1	0	460.490	2.951	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000035851735	569716636	/nfs/dbraw/zinc/71/66/36/569716636.db2.gz	WONQTOWVPWJVQJ-NRGSMNHXSA-N	1	0	460.490	2.951	40	5		JFBBRO
CC[C@@H]1[C@@H](O)[N+]2(Cc3ccc(C(=O)OC)o3)[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@H]3[C@@H]5O	ZINC000100745585	569768632	/nfs/dbraw/zinc/76/86/32/569768632.db2.gz	SELXDTMKKYESFY-ZSUCJLRJSA-N	1	0	465.570	2.649	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104062766	569840294	/nfs/dbraw/zinc/84/02/94/569840294.db2.gz	JKVBXPAQIQGZPG-IOGAWYOOSA-N	1	0	476.489	2.651	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O	ZINC000224630478	569951515	/nfs/dbraw/zinc/95/15/15/569951515.db2.gz	TUEBITTYORADQH-SFHVURJKSA-N	1	0	474.583	2.970	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224660872	569952595	/nfs/dbraw/zinc/95/25/95/569952595.db2.gz	QRQMORNIAHORRS-UHFFFAOYSA-N	1	0	490.582	2.672	40	5		JFBBRO
C=C1NC(NN)=[NH+][C@H](c2cc(OCC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1C(=O)OCC	ZINC000408732715	570029541	/nfs/dbraw/zinc/02/95/41/570029541.db2.gz	XUAMTKFZPOHCSV-OAQYLSRUSA-N	1	0	469.498	2.873	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102892105	130374266	/nfs/dbraw/zinc/37/42/66/130374266.db2.gz	VMUQMFUXIVMSOG-YASKCIBGSA-N	1	0	460.490	2.897	40	5		JFBBRO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009356792	555122133	/nfs/dbraw/zinc/12/21/33/555122133.db2.gz	MNSPYMWCHIEMMQ-OALHLCOBSA-N	1	0	476.489	2.597	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000009411197	555178428	/nfs/dbraw/zinc/17/84/28/555178428.db2.gz	NXBREAHTFNTVLB-KYCQWFEFSA-N	1	0	460.490	2.951	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2cc(C)cc3C)c(C)cc1[N+](=O)[O-]	ZINC000035147867	569676180	/nfs/dbraw/zinc/67/61/80/569676180.db2.gz	DCDMBJTUWWNVQF-GPNHVJLWSA-N	1	0	490.516	2.960	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851629	569716405	/nfs/dbraw/zinc/71/64/05/569716405.db2.gz	PHUVHVWSULCPLS-VSRHEVROSA-N	1	0	476.489	2.597	40	5		JFBBRO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000103507568	569835405	/nfs/dbraw/zinc/83/54/05/569835405.db2.gz	ASKKDZSGXQSJSE-QTDDQOEGSA-N	1	0	460.490	2.749	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000103519297	569835724	/nfs/dbraw/zinc/83/57/24/569835724.db2.gz	WONQTOWVPWJVQJ-DRCLYLBJSA-N	1	0	460.490	2.951	40	5		JFBBRO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000103548543	569836074	/nfs/dbraw/zinc/83/60/74/569836074.db2.gz	QOZZZKKZISDQMQ-ILDDTBCLSA-N	1	0	460.490	2.951	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104027982	569840008	/nfs/dbraw/zinc/84/00/08/569840008.db2.gz	DCDMBJTUWWNVQF-RRQFZRKBSA-N	1	0	490.516	2.960	40	5		JFBBRO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2ccc(O)cc2)C(=O)Nc2ccccc21	ZINC000102867115	130340112	/nfs/dbraw/zinc/34/01/12/130340112.db2.gz	OUHKGQMISZFWAN-XGKIYDHQSA-N	1	0	498.495	2.777	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009331491	555101139	/nfs/dbraw/zinc/10/11/39/555101139.db2.gz	PHUVHVWSULCPLS-LZISPXOZSA-N	1	0	476.489	2.597	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000009332700	555101619	/nfs/dbraw/zinc/10/16/19/555101619.db2.gz	KPLGJLYESKJSKL-LZISPXOZSA-N	1	0	476.489	2.651	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000009411198	555178498	/nfs/dbraw/zinc/17/84/98/555178498.db2.gz	NXBREAHTFNTVLB-YASKCIBGSA-N	1	0	460.490	2.951	40	5		JFBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000016001664	556106946	/nfs/dbraw/zinc/10/69/46/556106946.db2.gz	QPMCFPFDNOSRMU-WKVINZIJSA-N	1	0	476.489	2.651	40	5		JFBBRO
CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1	ZINC000016681607	556151206	/nfs/dbraw/zinc/15/12/06/556151206.db2.gz	OQKFQSWGSHLRJS-UHFFFAOYSA-N	1	0	456.499	2.931	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000103526899	569835709	/nfs/dbraw/zinc/83/57/09/569835709.db2.gz	KPLGJLYESKJSKL-VSRHEVROSA-N	1	0	476.489	2.651	40	5		JFBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000103549045	569836110	/nfs/dbraw/zinc/83/61/10/569836110.db2.gz	QPMCFPFDNOSRMU-ILDDTBCLSA-N	1	0	476.489	2.651	40	5		JFBBRO
CC[C@H]1[C@@H](O)[N+]2(Cc3ccc(C(=O)OC)o3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@H]3[C@@H]5O	ZINC000103617985	569836636	/nfs/dbraw/zinc/83/66/36/569836636.db2.gz	SELXDTMKKYESFY-MJFXTNRBSA-N	1	0	465.570	2.649	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCSC)[NH2+][C@@]32C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-]	ZINC000104097321	569840939	/nfs/dbraw/zinc/84/09/39/569840939.db2.gz	FFBWWZVOBWOVDP-BNVGKWPLSA-N	1	0	496.545	2.590	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000035807562	569711676	/nfs/dbraw/zinc/71/16/76/569711676.db2.gz	JXJJMGSQELOSHD-RZJPEOLTSA-N	1	0	490.516	2.905	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3CCSC)C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-]	ZINC000035852001	569716780	/nfs/dbraw/zinc/71/67/80/569716780.db2.gz	FFBWWZVOBWOVDP-YTCTWSIISA-N	1	0	496.545	2.590	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000035855587	569716921	/nfs/dbraw/zinc/71/69/21/569716921.db2.gz	KPLGJLYESKJSKL-FFTAAJLNSA-N	1	0	476.489	2.651	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102561348	569814206	/nfs/dbraw/zinc/81/42/06/569814206.db2.gz	HZDWVKGWUBXHGJ-YASKCIBGSA-N	1	0	460.490	2.897	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102562418	569814264	/nfs/dbraw/zinc/81/42/64/569814264.db2.gz	NVRLWMYLXRFBHU-ILDDTBCLSA-N	1	0	476.489	2.597	40	5		JFBBRO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000103507505	569835487	/nfs/dbraw/zinc/83/54/87/569835487.db2.gz	ONDUZDKAUDVKMM-JKPKGCNWSA-N	1	0	460.490	2.749	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2c1cccc2Cl	ZINC000104072194	569840379	/nfs/dbraw/zinc/84/03/79/569840379.db2.gz	NTYYQZXCVKCKOM-ZLAJIECUSA-N	1	0	482.880	2.688	40	5		JFBBRO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000104084186	569840469	/nfs/dbraw/zinc/84/04/69/569840469.db2.gz	UHVFHSHMKTYUAX-ZHBILRMLSA-N	1	0	476.489	2.597	40	5		JFBBRO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000104089004	569840663	/nfs/dbraw/zinc/84/06/63/569840663.db2.gz	GABKCMHSHTWCJJ-QTDDQOEGSA-N	1	0	460.490	2.897	40	5		JFBBRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc([N+](=O)[O-])c1	ZINC000224657834	569952507	/nfs/dbraw/zinc/95/25/07/569952507.db2.gz	QSTUJDHAPGCLRQ-UHFFFAOYSA-N	1	0	460.556	2.663	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000224825543	569959319	/nfs/dbraw/zinc/95/93/19/569959319.db2.gz	SBZYWAIWPUPMGC-UHFFFAOYSA-N	1	0	474.583	2.972	40	5		JFBBRO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000009354003	555118322	/nfs/dbraw/zinc/11/83/22/555118322.db2.gz	KFEVPYJQFFLOEZ-UVLLPENVSA-N	1	0	452.854	2.679	40	5		JFBBRO
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009358719	555122865	/nfs/dbraw/zinc/12/28/65/555122865.db2.gz	GLNWQPJYBYNRKG-ZQAYVECASA-N	1	0	466.881	2.988	40	5		JFBBRO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000013563312	555498152	/nfs/dbraw/zinc/49/81/52/555498152.db2.gz	GTZWHXXSKCXMMW-UHFFFAOYSA-N	1	0	486.594	2.776	40	5		JFBBRO
CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1	ZINC000022819328	555954981	/nfs/dbraw/zinc/95/49/81/555954981.db2.gz	HFVQKIBCRQERKS-UHFFFAOYSA-N	1	0	498.609	2.700	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000034793152	569660653	/nfs/dbraw/zinc/66/06/53/569660653.db2.gz	NXBREAHTFNTVLB-PUFAWVJESA-N	1	0	460.490	2.951	40	5		JFBBRO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035833097	569713251	/nfs/dbraw/zinc/71/32/51/569713251.db2.gz	PPZSONNTLFUKJX-RZJPEOLTSA-N	1	0	490.516	2.757	40	5		JFBBRO
Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035844022	569714719	/nfs/dbraw/zinc/71/47/19/569714719.db2.gz	PQKBSASVPJIMLH-OMGHFUJISA-N	1	0	466.881	2.988	40	5		JFBBRO
C[NH+](C)CCn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O	ZINC000040398956	569825987	/nfs/dbraw/zinc/82/59/87/569825987.db2.gz	TVXBBVLWSDXOMU-UHFFFAOYSA-N	1	0	473.562	2.673	40	5		JFBBRO
CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	ZINC000103996277	569839770	/nfs/dbraw/zinc/83/97/70/569839770.db2.gz	JBEVVQKBUZUCMO-ZQDYSYBYSA-N	1	0	466.519	2.581	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104062763	569840267	/nfs/dbraw/zinc/84/02/67/569840267.db2.gz	JKVBXPAQIQGZPG-WYKWESTDSA-N	1	0	476.489	2.651	40	5		JFBBRO
C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224630585	569951502	/nfs/dbraw/zinc/95/15/02/569951502.db2.gz	OXBDYUQNUBQHQS-QGZVFWFLSA-N	1	0	460.556	2.662	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000224820690	569959120	/nfs/dbraw/zinc/95/91/20/569959120.db2.gz	WMWNYKAYSRRFBW-UHFFFAOYSA-N	1	0	490.582	2.672	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102893950	130376006	/nfs/dbraw/zinc/37/60/06/130376006.db2.gz	XKDZDNYNWNYBJG-GPNHVJLWSA-N	1	0	490.516	2.905	40	5		JFBBRO
CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	ZINC000008898294	554788683	/nfs/dbraw/zinc/78/86/83/554788683.db2.gz	MYLXDAONYNCDHG-UHFFFAOYSA-N	1	0	498.609	2.700	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009332299	555101665	/nfs/dbraw/zinc/10/16/65/555101665.db2.gz	VMUQMFUXIVMSOG-MVOHMCPASA-N	1	0	460.490	2.897	40	5		JFBBRO
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1	ZINC000010277397	555671398	/nfs/dbraw/zinc/67/13/98/555671398.db2.gz	KZFCCCTZXAQALY-UHFFFAOYSA-N	1	0	460.556	2.782	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000016013114	556112052	/nfs/dbraw/zinc/11/20/52/556112052.db2.gz	KPLGJLYESKJSKL-OIBPMIBVSA-N	1	0	476.489	2.651	40	5		JFBBRO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000016039162	556120976	/nfs/dbraw/zinc/12/09/76/556120976.db2.gz	KFEVPYJQFFLOEZ-KLSTYFJDSA-N	1	0	452.854	2.679	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000034868771	569668176	/nfs/dbraw/zinc/66/81/76/569668176.db2.gz	PBVSOIVDCRGCAE-UYCVCSCRSA-N	1	0	466.881	2.988	40	5		JFBBRO
Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035844024	569714645	/nfs/dbraw/zinc/71/46/45/569714645.db2.gz	PQKBSASVPJIMLH-CXIOKZBNSA-N	1	0	466.881	2.988	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](Cc3ccccc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	ZINC000035851764	569716653	/nfs/dbraw/zinc/71/66/53/569716653.db2.gz	XJYXYMPDDXSKRB-OHAZUCAYSA-N	1	0	498.495	2.771	40	5		JFBBRO
CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]12	ZINC000102558254	569814215	/nfs/dbraw/zinc/81/42/15/569814215.db2.gz	QBUOBADNLLMEEU-LPSTTYAQSA-N	1	0	466.519	2.581	40	5		JFBBRO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000104084180	569840559	/nfs/dbraw/zinc/84/05/59/569840559.db2.gz	UHVFHSHMKTYUAX-GUQHISFFSA-N	1	0	476.489	2.597	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O	ZINC000224509222	569946731	/nfs/dbraw/zinc/94/67/31/569946731.db2.gz	ZSJDREJKFJGGPA-SFHVURJKSA-N	1	0	474.583	2.970	40	5		JFBBRO
Cc1c(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224527417	569947241	/nfs/dbraw/zinc/94/72/41/569947241.db2.gz	TZDYZBHMNGSBEF-UHFFFAOYSA-N	1	0	474.583	2.972	40	5		JFBBRO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009242533	194627377	/nfs/dbraw/zinc/62/73/77/194627377.db2.gz	SAEDGDGIBNELAE-MVOHMCPASA-N	1	0	460.490	2.951	40	5		JFBBRO
COc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000013674576	524359313	/nfs/dbraw/zinc/35/93/13/524359313.db2.gz	NHJRQKSIMGHJJX-UHFFFAOYSA-N	1	0	490.582	2.709	40	5		JFBBRO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009109584	554897986	/nfs/dbraw/zinc/89/79/86/554897986.db2.gz	GABKCMHSHTWCJJ-HSGJQSDISA-N	1	0	460.490	2.897	40	5		JFBBRO
CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]21	ZINC000009312501	555088855	/nfs/dbraw/zinc/08/88/55/555088855.db2.gz	JBEVVQKBUZUCMO-YRAONVGVSA-N	1	0	466.519	2.581	40	5		JFBBRO
CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]21	ZINC000009319545	555093861	/nfs/dbraw/zinc/09/38/61/555093861.db2.gz	QBUOBADNLLMEEU-HTIQSUCMSA-N	1	0	466.519	2.581	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@]32C(=O)Nc3c2cccc3C)c(C)cc1[N+](=O)[O-]	ZINC000009327919	555098601	/nfs/dbraw/zinc/09/86/01/555098601.db2.gz	PNDPJSJGPBXDLY-SDMYACPNSA-N	1	0	476.489	2.651	40	5		JFBBRO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000009361275	555123883	/nfs/dbraw/zinc/12/38/83/555123883.db2.gz	STZFWFBWYIPTPF-NAZDKBRTSA-N	1	0	460.490	2.749	40	5		JFBBRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000057315932	569597356	/nfs/dbraw/zinc/59/73/56/569597356.db2.gz	AAFFYKPLWYJOKC-UHFFFAOYSA-N	1	0	471.539	2.568	40	5		JFBBRO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035843171	569714097	/nfs/dbraw/zinc/71/40/97/569714097.db2.gz	JXRUVWHDCWOPEW-JKPKGCNWSA-N	1	0	460.490	2.749	40	5		JFBBRO
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035843988	569714764	/nfs/dbraw/zinc/71/47/64/569714764.db2.gz	GLNWQPJYBYNRKG-GBPOLFSSSA-N	1	0	466.881	2.988	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000103550921	569836067	/nfs/dbraw/zinc/83/60/67/569836067.db2.gz	QVZAKHWBXOTNEC-QAFKQIQMSA-N	1	0	490.516	2.960	40	5		JFBBRO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2c1cccc2Cl	ZINC000103905742	569838959	/nfs/dbraw/zinc/83/89/59/569838959.db2.gz	QKUMKBUHFLUBPJ-PRHHBONVSA-N	1	0	466.881	2.988	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000104011819	569839923	/nfs/dbraw/zinc/83/99/23/569839923.db2.gz	PBVSOIVDCRGCAE-NZQNYPKQSA-N	1	0	466.881	2.988	40	5		JFBBRO
C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224509307	569946724	/nfs/dbraw/zinc/94/67/24/569946724.db2.gz	URNIZEWNDUDWGU-KRWDZBQOSA-N	1	0	460.556	2.662	40	5		JFBBRO
Cc1c(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224688689	569953577	/nfs/dbraw/zinc/95/35/77/569953577.db2.gz	MGAUALCDFLXDNJ-UHFFFAOYSA-N	1	0	474.583	2.972	40	5		JFBBRO
CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12	ZINC000102884160	130365193	/nfs/dbraw/zinc/36/51/93/130365193.db2.gz	PABJJFGGOMAVAZ-YQYRJILISA-N	1	0	466.519	2.581	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009013927	554865232	/nfs/dbraw/zinc/86/52/32/554865232.db2.gz	HZDWVKGWUBXHGJ-MVOHMCPASA-N	1	0	460.490	2.897	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000009287106	555060638	/nfs/dbraw/zinc/06/06/38/555060638.db2.gz	JDYKBEHBYKZQFT-KYCQWFEFSA-N	1	0	460.490	2.951	40	5		JFBBRO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000009357671	555122415	/nfs/dbraw/zinc/12/24/15/555122415.db2.gz	JXRUVWHDCWOPEW-MASGSYHESA-N	1	0	460.490	2.749	40	5		JFBBRO
CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000015722178	555956925	/nfs/dbraw/zinc/95/69/25/555956925.db2.gz	OGRAIDCNUKWCJI-GOTSBHOMSA-N	1	0	497.596	2.921	40	5		JFBBRO
CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]21	ZINC000016010066	556109027	/nfs/dbraw/zinc/10/90/27/556109027.db2.gz	PABJJFGGOMAVAZ-YRAONVGVSA-N	1	0	466.519	2.581	40	5		JFBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000035843263	569714395	/nfs/dbraw/zinc/71/43/95/569714395.db2.gz	GKDNGYRMOYIJID-NRGSMNHXSA-N	1	0	476.489	2.651	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851805	569716601	/nfs/dbraw/zinc/71/66/01/569716601.db2.gz	HZDWVKGWUBXHGJ-KYCQWFEFSA-N	1	0	460.490	2.897	40	5		JFBBRO
COc1cc(N2C(=O)[C@H]3[C@@H](CCSC)[NH2+][C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000035852002	569716813	/nfs/dbraw/zinc/71/68/13/569716813.db2.gz	FFBWWZVOBWOVDP-BBOHXYNISA-N	1	0	496.545	2.590	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000104063605	569840275	/nfs/dbraw/zinc/84/02/75/569840275.db2.gz	IRQJPZFFSINUDE-FFTAAJLNSA-N	1	0	476.489	2.651	40	5		JFBBRO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000096402895	130079214	/nfs/dbraw/zinc/07/92/14/130079214.db2.gz	JCGUMOXBJODQDW-KYCQWFEFSA-N	1	0	460.490	2.951	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102893946	130376203	/nfs/dbraw/zinc/37/62/03/130376203.db2.gz	XKDZDNYNWNYBJG-QAFKQIQMSA-N	1	0	490.516	2.905	40	5		JFBBRO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000002260495	554121533	/nfs/dbraw/zinc/12/15/33/554121533.db2.gz	KFEVPYJQFFLOEZ-XNGFIGEISA-N	1	0	452.854	2.679	40	5		JFBBRO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000009328760	555099248	/nfs/dbraw/zinc/09/92/48/555099248.db2.gz	FAUSJBUQIDAASR-XNGFIGEISA-N	1	0	452.854	2.679	40	5		JFBBRO
CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]21	ZINC000016009613	556108251	/nfs/dbraw/zinc/10/82/51/556108251.db2.gz	QBUOBADNLLMEEU-NSNOHRKYSA-N	1	0	466.519	2.581	40	5		JFBBRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000057312795	569596312	/nfs/dbraw/zinc/59/63/12/569596312.db2.gz	ZIFYESVMMFEOEV-UHFFFAOYSA-N	1	0	467.526	2.986	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851905	569716776	/nfs/dbraw/zinc/71/67/76/569716776.db2.gz	VMUQMFUXIVMSOG-KYCQWFEFSA-N	1	0	460.490	2.897	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000103543881	569836097	/nfs/dbraw/zinc/83/60/97/569836097.db2.gz	JXJJMGSQELOSHD-IZNSETQVSA-N	1	0	490.516	2.905	40	5		JFBBRO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000104052976	569840167	/nfs/dbraw/zinc/84/01/67/569840167.db2.gz	GLNWQPJYBYNRKG-FZONSQQESA-N	1	0	466.881	2.988	40	5		JFBBRO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224509348	569946719	/nfs/dbraw/zinc/94/67/19/569946719.db2.gz	URNIZEWNDUDWGU-QGZVFWFLSA-N	1	0	460.556	2.662	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O	ZINC000224611723	569950663	/nfs/dbraw/zinc/95/06/63/569950663.db2.gz	VGEGFMYPPSQZEA-UHFFFAOYSA-N	1	0	460.556	2.581	40	5		JFBBRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000044873996	525150758	/nfs/dbraw/zinc/15/07/58/525150758.db2.gz	OLAHSUSOIFPQIU-UHFFFAOYSA-N	1	0	460.556	2.663	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000008968948	554843033	/nfs/dbraw/zinc/84/30/33/554843033.db2.gz	WONQTOWVPWJVQJ-WKVINZIJSA-N	1	0	460.490	2.951	40	5		JFBBRO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000009358174	555122525	/nfs/dbraw/zinc/12/25/25/555122525.db2.gz	PPZSONNTLFUKJX-WUABMQKPSA-N	1	0	490.516	2.757	40	5		JFBBRO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035843172	569714116	/nfs/dbraw/zinc/71/41/16/569714116.db2.gz	JXRUVWHDCWOPEW-GUQHISFFSA-N	1	0	460.490	2.749	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2cccc3C)c(C)cc1[N+](=O)[O-]	ZINC000035844142	569714869	/nfs/dbraw/zinc/71/48/69/569714869.db2.gz	PNDPJSJGPBXDLY-SJFBNKFASA-N	1	0	476.489	2.651	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000044874536	569839676	/nfs/dbraw/zinc/83/96/76/569839676.db2.gz	BDBFZCPWAJZXPU-UHFFFAOYSA-N	1	0	474.583	2.972	40	5		JFBBRO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000104050061	569840177	/nfs/dbraw/zinc/84/01/77/569840177.db2.gz	UHXDDHDGRBUDMU-QSNWEANLSA-N	1	0	470.844	2.819	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3c1cccc3Cl)N1CCC[C@@H]21	ZINC000104072190	569840410	/nfs/dbraw/zinc/84/04/10/569840410.db2.gz	NTYYQZXCVKCKOM-KJMYGEOBSA-N	1	0	482.880	2.688	40	5		JFBBRO
Cc1c(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224842729	569959931	/nfs/dbraw/zinc/95/99/31/569959931.db2.gz	OLIZXHZYLHLMST-UHFFFAOYSA-N	1	0	474.583	2.972	40	5		JFBBRO
C=C1NC(NN)=[NH+][C@@H](c2cc(OCC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1C(=O)OCC	ZINC000408732714	570029520	/nfs/dbraw/zinc/02/95/20/570029520.db2.gz	XUAMTKFZPOHCSV-NRFANRHFSA-N	1	0	469.498	2.873	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000035807206	524059577	/nfs/dbraw/zinc/05/95/77/524059577.db2.gz	UDGNBLFELYPSCF-GUQHISFFSA-N	1	0	460.490	2.897	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000035807208	524059625	/nfs/dbraw/zinc/05/96/25/524059625.db2.gz	UDGNBLFELYPSCF-JKPKGCNWSA-N	1	0	460.490	2.897	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000009242428	555017430	/nfs/dbraw/zinc/01/74/30/555017430.db2.gz	PBVSOIVDCRGCAE-DYVMYPEFSA-N	1	0	466.881	2.988	40	5		JFBBRO
CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]21	ZINC000009316513	555091693	/nfs/dbraw/zinc/09/16/93/555091693.db2.gz	PABJJFGGOMAVAZ-QYUDBREXSA-N	1	0	466.519	2.581	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000009327764	555098386	/nfs/dbraw/zinc/09/83/86/555098386.db2.gz	IRQJPZFFSINUDE-OIBPMIBVSA-N	1	0	476.489	2.651	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@]32C(=O)Nc3c2cc(C)cc3C)c(C)cc1[N+](=O)[O-]	ZINC000009357179	555122152	/nfs/dbraw/zinc/12/21/52/555122152.db2.gz	DCDMBJTUWWNVQF-WYMULPSZSA-N	1	0	490.516	2.960	40	5		JFBBRO
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1	ZINC000010277406	555671431	/nfs/dbraw/zinc/67/14/31/555671431.db2.gz	WLTZQLVZNCUPFJ-UHFFFAOYSA-N	1	0	460.556	2.782	40	5		JFBBRO
O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1cccc(I)c1	ZINC000020154230	555673390	/nfs/dbraw/zinc/67/33/90/555673390.db2.gz	NQWIMLRCALIQEX-UHFFFAOYSA-N	1	0	452.252	2.861	40	5		JFBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000016000308	556104939	/nfs/dbraw/zinc/10/49/39/556104939.db2.gz	GKDNGYRMOYIJID-ILDDTBCLSA-N	1	0	476.489	2.651	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000033716956	569631704	/nfs/dbraw/zinc/63/17/04/569631704.db2.gz	IRQJPZFFSINUDE-LZISPXOZSA-N	1	0	476.489	2.651	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000035843204	569714426	/nfs/dbraw/zinc/71/44/26/569714426.db2.gz	QVZAKHWBXOTNEC-RRQFZRKBSA-N	1	0	490.516	2.960	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851628	569716414	/nfs/dbraw/zinc/71/64/14/569716414.db2.gz	PHUVHVWSULCPLS-FFTAAJLNSA-N	1	0	476.489	2.597	40	5		JFBBRO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851778	569716595	/nfs/dbraw/zinc/71/65/95/569716595.db2.gz	MNSPYMWCHIEMMQ-GIMAVKCBSA-N	1	0	476.489	2.597	40	5		JFBBRO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035855375	569716905	/nfs/dbraw/zinc/71/69/05/569716905.db2.gz	UHVFHSHMKTYUAX-JKPKGCNWSA-N	1	0	476.489	2.597	40	5		JFBBRO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035855597	569716987	/nfs/dbraw/zinc/71/69/87/569716987.db2.gz	ONDUZDKAUDVKMM-MASGSYHESA-N	1	0	460.490	2.749	40	5		JFBBRO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035852047	569717022	/nfs/dbraw/zinc/71/70/22/569717022.db2.gz	GABKCMHSHTWCJJ-YCFYUYSTSA-N	1	0	460.490	2.897	40	5		JFBBRO
Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000103548793	569836082	/nfs/dbraw/zinc/83/60/82/569836082.db2.gz	PQKBSASVPJIMLH-SAQZZPNQSA-N	1	0	466.881	2.988	40	5		JFBBRO
Cc1c(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224507774	569946676	/nfs/dbraw/zinc/94/66/76/569946676.db2.gz	LEYFKVBFPRRKHS-UHFFFAOYSA-N	1	0	460.556	2.581	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224667490	569952932	/nfs/dbraw/zinc/95/29/32/569952932.db2.gz	YIBFLFDAAQKZDB-UHFFFAOYSA-N	1	0	474.583	2.972	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O	ZINC000224776614	569957104	/nfs/dbraw/zinc/95/71/04/569957104.db2.gz	SDTLISNUSNGZQO-UHFFFAOYSA-N	1	0	460.556	2.581	40	5		JFBBRO
Cc1c(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224793376	569957829	/nfs/dbraw/zinc/95/78/29/569957829.db2.gz	VCQDNEJMYGXZPP-UHFFFAOYSA-N	1	0	460.556	2.581	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O	ZINC000224794685	569957884	/nfs/dbraw/zinc/95/78/84/569957884.db2.gz	XKMQKDSUGMVSFE-SFHVURJKSA-N	1	0	474.583	2.970	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O	ZINC000260892554	570162094	/nfs/dbraw/zinc/16/20/94/570162094.db2.gz	ZSJDREJKFJGGPA-GOSISDBHSA-N	1	0	474.583	2.970	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000044874130	525464352	/nfs/dbraw/zinc/46/43/52/525464352.db2.gz	VSBLKBRNIONXSW-UHFFFAOYSA-N	1	0	490.582	2.672	40	5		JFBBRO
O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1ccc(I)cc1	ZINC000020154232	527227875	/nfs/dbraw/zinc/22/78/75/527227875.db2.gz	BLKYYSBDLADCAI-UHFFFAOYSA-N	1	0	452.252	2.861	40	5		JFBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000009349779	555116891	/nfs/dbraw/zinc/11/68/91/555116891.db2.gz	GKDNGYRMOYIJID-WKVINZIJSA-N	1	0	476.489	2.651	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000015999300	556104554	/nfs/dbraw/zinc/10/45/54/556104554.db2.gz	DCDMBJTUWWNVQF-QAFKQIQMSA-N	1	0	490.516	2.960	40	5		JFBBRO
CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]12	ZINC000016009614	556108161	/nfs/dbraw/zinc/10/81/61/556108161.db2.gz	QBUOBADNLLMEEU-JYISGYRJSA-N	1	0	466.519	2.581	40	5		JFBBRO
CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12	ZINC000016010067	556109476	/nfs/dbraw/zinc/10/94/76/556109476.db2.gz	PABJJFGGOMAVAZ-ZQDYSYBYSA-N	1	0	466.519	2.581	40	5		JFBBRO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851658	569716555	/nfs/dbraw/zinc/71/65/55/569716555.db2.gz	ZFVZIBJAYAXLND-YCFYUYSTSA-N	1	0	460.490	2.897	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000035851734	569716649	/nfs/dbraw/zinc/71/66/49/569716649.db2.gz	WONQTOWVPWJVQJ-ILDDTBCLSA-N	1	0	460.490	2.951	40	5		JFBBRO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035851889	569716765	/nfs/dbraw/zinc/71/67/65/569716765.db2.gz	ASKKDZSGXQSJSE-NAZDKBRTSA-N	1	0	460.490	2.749	40	5		JFBBRO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000103507508	569835472	/nfs/dbraw/zinc/83/54/72/569835472.db2.gz	ONDUZDKAUDVKMM-GUQHISFFSA-N	1	0	460.490	2.749	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104064547	569840309	/nfs/dbraw/zinc/84/03/09/569840309.db2.gz	PNDPJSJGPBXDLY-NQAQNOALSA-N	1	0	476.489	2.651	40	5		JFBBRO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000104073557	569840390	/nfs/dbraw/zinc/84/03/90/569840390.db2.gz	YEGUMIDOSIKMCP-CROMWVBPSA-N	1	0	466.881	2.988	40	5		JFBBRO
Cc1c(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224629179	569951465	/nfs/dbraw/zinc/95/14/65/569951465.db2.gz	SXYFGMUPYGXAKC-UHFFFAOYSA-N	1	0	460.556	2.581	40	5		JFBBRO
C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224794760	569957890	/nfs/dbraw/zinc/95/78/90/569957890.db2.gz	BRWNMJAUHUTIBF-KRWDZBQOSA-N	1	0	460.556	2.662	40	5		JFBBRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000224818011	569959011	/nfs/dbraw/zinc/95/90/11/569959011.db2.gz	NQMCSVGMZGWYCO-UHFFFAOYSA-N	1	0	460.556	2.663	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O	ZINC000044872010	526077173	/nfs/dbraw/zinc/07/71/73/526077173.db2.gz	KGAPDOAGNYYJFZ-UHFFFAOYSA-N	1	0	460.556	2.581	40	5		JFBBRO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009350760	555117169	/nfs/dbraw/zinc/11/71/69/555117169.db2.gz	QOZZZKKZISDQMQ-NRGSMNHXSA-N	1	0	460.490	2.951	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@]32C(=O)Nc3c2ccc(C)c3C)c(C)cc1[N+](=O)[O-]	ZINC000015999259	556104161	/nfs/dbraw/zinc/10/41/61/556104161.db2.gz	QVZAKHWBXOTNEC-WYMULPSZSA-N	1	0	490.516	2.960	40	5		JFBBRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1	ZINC000057313493	569596671	/nfs/dbraw/zinc/59/66/71/569596671.db2.gz	PJMTYLWTWZJFKY-UHFFFAOYSA-N	1	0	471.539	2.568	40	5		JFBBRO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851921	569716758	/nfs/dbraw/zinc/71/67/58/569716758.db2.gz	JCGUMOXBJODQDW-PUFAWVJESA-N	1	0	460.490	2.951	40	5		JFBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000103549051	569836077	/nfs/dbraw/zinc/83/60/77/569836077.db2.gz	QPMCFPFDNOSRMU-NRGSMNHXSA-N	1	0	476.489	2.651	40	5		JFBBRO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000103557560	569836227	/nfs/dbraw/zinc/83/62/27/569836227.db2.gz	SAEDGDGIBNELAE-YASKCIBGSA-N	1	0	460.490	2.951	40	5		JFBBRO
C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224794799	569957888	/nfs/dbraw/zinc/95/78/88/569957888.db2.gz	BRWNMJAUHUTIBF-QGZVFWFLSA-N	1	0	460.556	2.662	40	5		JFBBRO
CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000009332041	555101413	/nfs/dbraw/zinc/10/14/13/555101413.db2.gz	LFTROCONTVASFP-AYMMHLMVSA-N	1	0	454.870	2.829	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000016001883	556106704	/nfs/dbraw/zinc/10/67/04/556106704.db2.gz	PNDPJSJGPBXDLY-NLJLEJFHSA-N	1	0	476.489	2.651	40	5		JFBBRO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035833095	569713150	/nfs/dbraw/zinc/71/31/50/569713150.db2.gz	PPZSONNTLFUKJX-IZNSETQVSA-N	1	0	490.516	2.757	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851751	569716552	/nfs/dbraw/zinc/71/65/52/569716552.db2.gz	XKDZDNYNWNYBJG-RRQFZRKBSA-N	1	0	490.516	2.905	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2ccccc2)C(=O)Nc2ccccc21	ZINC000035851763	569716604	/nfs/dbraw/zinc/71/66/04/569716604.db2.gz	XJYXYMPDDXSKRB-QLCJKUNUSA-N	1	0	498.495	2.771	40	5		JFBBRO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21	ZINC000035851920	569716803	/nfs/dbraw/zinc/71/68/03/569716803.db2.gz	OUHKGQMISZFWAN-NFEIJPORSA-N	1	0	498.495	2.777	40	5		JFBBRO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851922	569716824	/nfs/dbraw/zinc/71/68/24/569716824.db2.gz	JCGUMOXBJODQDW-MVOHMCPASA-N	1	0	460.490	2.951	40	5		JFBBRO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000103507564	569835478	/nfs/dbraw/zinc/83/54/78/569835478.db2.gz	ASKKDZSGXQSJSE-YCFYUYSTSA-N	1	0	460.490	2.749	40	5		JFBBRO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(Cl)cc31)N1CCC[C@@H]21	ZINC000104073552	569840400	/nfs/dbraw/zinc/84/04/00/569840400.db2.gz	YEGUMIDOSIKMCP-KEXUJGGDSA-N	1	0	466.881	2.988	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O	ZINC000260902859	570162845	/nfs/dbraw/zinc/16/28/45/570162845.db2.gz	XKMQKDSUGMVSFE-GOSISDBHSA-N	1	0	474.583	2.970	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(C)cc32)c(C)cc1[N+](=O)[O-]	ZINC000033688499	522630111	/nfs/dbraw/zinc/63/01/11/522630111.db2.gz	JKVBXPAQIQGZPG-IJUKNHKESA-N	1	0	476.489	2.651	40	5		JFBBRO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009088438	554890183	/nfs/dbraw/zinc/89/01/83/554890183.db2.gz	ZFVZIBJAYAXLND-QTDDQOEGSA-N	1	0	460.490	2.897	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000009287114	555060600	/nfs/dbraw/zinc/06/06/00/555060600.db2.gz	JDYKBEHBYKZQFT-PUFAWVJESA-N	1	0	460.490	2.951	40	5		JFBBRO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009356797	555122176	/nfs/dbraw/zinc/12/21/76/555122176.db2.gz	MNSPYMWCHIEMMQ-DUHPJZPXSA-N	1	0	476.489	2.597	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2ccc(C)c3C)c(C)cc1[N+](=O)[O-]	ZINC000009360315	555123655	/nfs/dbraw/zinc/12/36/55/555123655.db2.gz	QVZAKHWBXOTNEC-GPNHVJLWSA-N	1	0	490.516	2.960	40	5		JFBBRO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(C)cc32)c(C)cc1[N+](=O)[O-]	ZINC000015996100	556102911	/nfs/dbraw/zinc/10/29/11/556102911.db2.gz	JKVBXPAQIQGZPG-FAELBMERSA-N	1	0	476.489	2.651	40	5		JFBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000016000703	556105331	/nfs/dbraw/zinc/10/53/31/556105331.db2.gz	IRQJPZFFSINUDE-VSRHEVROSA-N	1	0	476.489	2.651	40	5		JFBBRO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000016033696	556117733	/nfs/dbraw/zinc/11/77/33/556117733.db2.gz	FAUSJBUQIDAASR-KLSTYFJDSA-N	1	0	452.854	2.679	40	5		JFBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(N)=O	ZINC000016688329	556152101	/nfs/dbraw/zinc/15/21/01/556152101.db2.gz	YEIDNWZMJMOKJB-UHFFFAOYSA-N	1	0	467.320	2.822	40	5		JFBBRO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035830025	569713205	/nfs/dbraw/zinc/71/32/05/569713205.db2.gz	STZFWFBWYIPTPF-YCFYUYSTSA-N	1	0	460.490	2.749	40	5		JFBBRO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035843299	569714422	/nfs/dbraw/zinc/71/44/22/569714422.db2.gz	QOZZZKKZISDQMQ-DRCLYLBJSA-N	1	0	460.490	2.951	40	5		JFBBRO
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035855493	569716900	/nfs/dbraw/zinc/71/69/00/569716900.db2.gz	NVRLWMYLXRFBHU-DRCLYLBJSA-N	1	0	476.489	2.597	40	5		JFBBRO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035889631	569721564	/nfs/dbraw/zinc/72/15/64/569721564.db2.gz	FAUSJBUQIDAASR-YDGKCNFYSA-N	1	0	452.854	2.679	40	5		JFBBRO
CC[C@@H]1[C@@H](O)[N+]2(Cc3ccc(C(=O)OC)o3)[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@H]2C[C@@H]1[C@H]3[C@@H]5O	ZINC000100745584	569768689	/nfs/dbraw/zinc/76/86/89/569768689.db2.gz	SELXDTMKKYESFY-AVVSEYEJSA-N	1	0	465.570	2.649	40	5		JFBBRO
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]2CCC[N@@H+]21	ZINC000103545417	569836116	/nfs/dbraw/zinc/83/61/16/569836116.db2.gz	UDGNBLFELYPSCF-ZHBILRMLSA-N	1	0	460.490	2.897	40	5		JFBBRO
CC[C@@H]1[C@@H](O)[N+]2(Cc3ccc(C(=O)OC)o3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@H]3[C@@H]5O	ZINC000103617988	569836767	/nfs/dbraw/zinc/83/67/67/569836767.db2.gz	SELXDTMKKYESFY-NOMOBFHRSA-N	1	0	465.570	2.649	40	5		JFBBRO
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O	ZINC000260890845	570161945	/nfs/dbraw/zinc/16/19/45/570161945.db2.gz	TUEBITTYORADQH-GOSISDBHSA-N	1	0	474.583	2.970	40	5		JFBBRO