smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2	ZINC000000949455	551588795	/nfs/dbraw/zinc/58/87/95/551588795.db2.gz	NOPYBGDZQFYFSS-WXFUMESZSA-N	0	3	547.589	4.681	50	5		KJBAHN
COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2	ZINC000001239885	551630659	/nfs/dbraw/zinc/63/06/59/551630659.db2.gz	NOPYBGDZQFYFSS-TZRRMPRUSA-N	0	3	547.589	4.681	50	5		KJBAHN
COc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1	ZINC000001315479	551640363	/nfs/dbraw/zinc/64/03/63/551640363.db2.gz	COHIBGBERYDFRK-UPRLRBBYSA-N	0	3	565.538	4.874	50	5		KJBAHN
CCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1	ZINC000001316019	551640739	/nfs/dbraw/zinc/64/07/39/551640739.db2.gz	ZVDLMIMHKPDZTD-KMDXXIMOSA-N	0	3	568.380	4.816	50	5		KJBAHN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000001316702	551640646	/nfs/dbraw/zinc/64/06/46/551640646.db2.gz	TXOPZUAEOPGLDM-SKVJQKLOSA-N	0	3	555.543	4.825	50	5		KJBAHN
O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@@H]1C([N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000001400470	551661279	/nfs/dbraw/zinc/66/12/79/551661279.db2.gz	VNBILZBMIHMUMN-GGAORHGYSA-N	0	3	504.486	4.522	50	5		KJBAHN
O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@@H]1C([N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000001400471	551661241	/nfs/dbraw/zinc/66/12/41/551661241.db2.gz	VNBILZBMIHMUMN-FYYLOGMGSA-N	0	3	504.486	4.522	50	5		KJBAHN
O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1C([N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000001400472	551661291	/nfs/dbraw/zinc/66/12/91/551661291.db2.gz	VNBILZBMIHMUMN-GMAHTHKFSA-N	0	3	504.486	4.522	50	5		KJBAHN
O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1C([N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000001400473	551661245	/nfs/dbraw/zinc/66/12/45/551661245.db2.gz	VNBILZBMIHMUMN-JTHBVZDNSA-N	0	3	504.486	4.522	50	5		KJBAHN
CN1CCCC[C@H]1Cn1cc(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc21	ZINC000001490856	551682923	/nfs/dbraw/zinc/68/29/23/551682923.db2.gz	ZUHIXXCLLBMBDW-INIZCTEOSA-N	0	3	503.340	4.869	50	5	in-vivo	KJBAHN
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c2ccccc2)cc1	ZINC000001820327	551708692	/nfs/dbraw/zinc/70/86/92/551708692.db2.gz	PSSOPPPPRUZPPS-NDEPHWFRSA-N	0	3	531.634	4.853	50	5		KJBAHN
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c2ccccc2)cc1	ZINC000001820328	551708703	/nfs/dbraw/zinc/70/87/03/551708703.db2.gz	PSSOPPPPRUZPPS-MUUNZHRXSA-N	0	3	531.634	4.853	50	5		KJBAHN
COC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000002851116	552200933	/nfs/dbraw/zinc/20/09/33/552200933.db2.gz	IYEGCCPQJWRYTM-LJQANCHMSA-N	0	3	505.508	4.619	50	5		KJBAHN
COC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000002851117	552201000	/nfs/dbraw/zinc/20/10/00/552201000.db2.gz	IYEGCCPQJWRYTM-IBGZPJMESA-N	0	3	505.508	4.619	50	5		KJBAHN
O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@@H]1C([N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000003128258	552291967	/nfs/dbraw/zinc/29/19/67/552291967.db2.gz	KTEVEEQPUAOFNK-YADHBBJMSA-N	0	3	519.501	4.913	50	5		KJBAHN
O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@@H]1C([N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000003128259	552291923	/nfs/dbraw/zinc/29/19/23/552291923.db2.gz	KTEVEEQPUAOFNK-FGZHOGPDSA-N	0	3	519.501	4.913	50	5		KJBAHN
O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1C([N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000003128260	552291899	/nfs/dbraw/zinc/29/18/99/552291899.db2.gz	KTEVEEQPUAOFNK-VXKWHMMOSA-N	0	3	519.501	4.913	50	5		KJBAHN
O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1C([N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000003128261	552291975	/nfs/dbraw/zinc/29/19/75/552291975.db2.gz	KTEVEEQPUAOFNK-FCHUYYIVSA-N	0	3	519.501	4.913	50	5		KJBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21	ZINC000009210683	553220908	/nfs/dbraw/zinc/22/09/08/553220908.db2.gz	ZMDOZOHHCXQZTJ-KALPRAJFSA-N	0	3	513.937	4.810	50	5		KJBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N21	ZINC000009360204	553248482	/nfs/dbraw/zinc/24/84/82/553248482.db2.gz	HXLIQMCRPKSYOP-LSMVNSQTSA-N	0	3	507.546	4.856	50	5		KJBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21	ZINC000009360208	553248335	/nfs/dbraw/zinc/24/83/35/553248335.db2.gz	HXLIQMCRPKSYOP-NSBPXKJOSA-N	0	3	507.546	4.856	50	5		KJBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21	ZINC000009460892	553266863	/nfs/dbraw/zinc/26/68/63/553266863.db2.gz	ZMDOZOHHCXQZTJ-PAHOUZJPSA-N	0	3	513.937	4.810	50	5		KJBAHN
CN1CCCC[C@@H]1Cn1cc(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc21	ZINC000013675390	553482652	/nfs/dbraw/zinc/48/26/52/553482652.db2.gz	ZUHIXXCLLBMBDW-MRXNPFEDSA-N	0	3	503.340	4.869	50	5	in-vivo	KJBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013757507	553488269	/nfs/dbraw/zinc/48/82/69/553488269.db2.gz	KARGIIANLDRNMK-DNVJHFABSA-N	0	3	500.898	4.848	50	5		KJBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013757508	553488304	/nfs/dbraw/zinc/48/83/04/553488304.db2.gz	KARGIIANLDRNMK-XPWALMASSA-N	0	3	500.898	4.848	50	5		KJBAHN
CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OC	ZINC000013768540	553489228	/nfs/dbraw/zinc/48/92/28/553489228.db2.gz	RXTZBZXMDAUWOR-NXCFDTQHSA-N	0	3	517.538	4.833	50	5		KJBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000013787181	553490785	/nfs/dbraw/zinc/49/07/85/553490785.db2.gz	HXYCEHUCXGWJSZ-QHAWAJNXSA-N	0	3	500.294	4.658	50	5		KJBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013787911	553491045	/nfs/dbraw/zinc/49/10/45/553491045.db2.gz	YCWQKBYHWRTJHQ-NJDAHSKKSA-N	0	3	512.291	4.548	50	5		KJBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013787912	553491039	/nfs/dbraw/zinc/49/10/39/553491039.db2.gz	YCWQKBYHWRTJHQ-QHAWAJNXSA-N	0	3	512.291	4.548	50	5		KJBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21	ZINC000015999203	553549594	/nfs/dbraw/zinc/54/95/94/553549594.db2.gz	ZMDOZOHHCXQZTJ-XVOBZGQLSA-N	0	3	513.937	4.810	50	5		KJBAHN
COc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O	ZINC000018155364	553606542	/nfs/dbraw/zinc/60/65/42/553606542.db2.gz	HXEWDDRSXPSICH-FDFHNCONSA-N	0	3	514.321	4.961	50	5		KJBAHN
CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC	ZINC000018167050	553606827	/nfs/dbraw/zinc/60/68/27/553606827.db2.gz	JKALMILGQCTTEK-CYXNTTPDSA-N	0	3	517.538	4.833	50	5		KJBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000018209538	553610435	/nfs/dbraw/zinc/61/04/35/553610435.db2.gz	HXYCEHUCXGWJSZ-NJDAHSKKSA-N	0	3	500.294	4.658	50	5		KJBAHN
COc1ccc([N+](=O)[O-])cc1N(C[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1	ZINC000033354087	553928430	/nfs/dbraw/zinc/92/84/30/553928430.db2.gz	XVRULEPIBUOOMA-MHZLTWQESA-N	0	3	561.660	4.862	50	5		KJBAHN
COc1ccc([N+](=O)[O-])cc1N(C[C@H](O)CN(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1	ZINC000033354094	553928481	/nfs/dbraw/zinc/92/84/81/553928481.db2.gz	XVRULEPIBUOOMA-HHHXNRCGSA-N	0	3	561.660	4.862	50	5		KJBAHN
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1	ZINC000033356053	553938538	/nfs/dbraw/zinc/93/85/38/553938538.db2.gz	DCBHBMNYCJZMBS-UHFFFAOYSA-N	0	3	603.679	4.562	50	5		KJBAHN
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NC1CCN(Cc2ccccc2)CC1	ZINC000033356553	553942545	/nfs/dbraw/zinc/94/25/45/553942545.db2.gz	HONVUCFNRPOLOT-UHFFFAOYSA-N	0	3	544.663	4.696	50	5		KJBAHN
Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2cccc(CC(=O)NCCN3CCCC3)c2)cc1	ZINC000037280371	554233621	/nfs/dbraw/zinc/23/36/21/554233621.db2.gz	DSLSDKKZFNAGEJ-UHFFFAOYSA-N	0	3	500.599	4.505	50	5		KJBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000097954105	553821370	/nfs/dbraw/zinc/82/13/70/553821370.db2.gz	XDJVBOVYZPVUFC-ZRBLBEILSA-N	0	3	544.347	4.970	50	5		KJBAHN
CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000097954183	553821910	/nfs/dbraw/zinc/82/19/10/553821910.db2.gz	JXJTWXJZSZYYJA-ZRBLBEILSA-N	0	3	522.355	4.971	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1	ZINC000097954682	553824781	/nfs/dbraw/zinc/82/47/81/553824781.db2.gz	CULCPBQILUMGDD-VJGNERBWSA-N	0	3	535.512	4.865	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000097954747	553825417	/nfs/dbraw/zinc/82/54/17/553825417.db2.gz	KGBLZUFTTAWBDC-VJGNERBWSA-N	0	3	535.512	4.865	50	5		KJBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000097954846	553826013	/nfs/dbraw/zinc/82/60/13/553826013.db2.gz	SMCKRAPUDIDSSG-VJGNERBWSA-N	0	3	525.517	4.816	50	5		KJBAHN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000097954854	553825983	/nfs/dbraw/zinc/82/59/83/553825983.db2.gz	KTGJPNGCODAZTE-ZRBLBEILSA-N	0	3	538.354	4.725	50	5		KJBAHN
COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1cccc([N+](=O)[O-])c1	ZINC000097954863	553825853	/nfs/dbraw/zinc/82/58/53/553825853.db2.gz	ZHOHUBOBSUQXHY-BDTNDASRSA-N	0	3	542.317	4.556	50	5		KJBAHN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000097954924	553826750	/nfs/dbraw/zinc/82/67/50/553826750.db2.gz	PQOCXMGKHRLBJX-BDTNDASRSA-N	0	3	542.317	4.556	50	5		KJBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101097004	554584684	/nfs/dbraw/zinc/58/46/84/554584684.db2.gz	XDJVBOVYZPVUFC-ZLNRFVROSA-N	0	3	544.347	4.970	50	5		KJBAHN
CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000101101604	554638823	/nfs/dbraw/zinc/63/88/23/554638823.db2.gz	JXJTWXJZSZYYJA-ZLNRFVROSA-N	0	3	522.355	4.971	50	5		KJBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21	ZINC000101107295	554640240	/nfs/dbraw/zinc/64/02/40/554640240.db2.gz	HXLIQMCRPKSYOP-UUROJUAVSA-N	0	3	507.546	4.856	50	5		KJBAHN
CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OC	ZINC000101108137	554640472	/nfs/dbraw/zinc/64/04/72/554640472.db2.gz	RXTZBZXMDAUWOR-CYXNTTPDSA-N	0	3	517.538	4.833	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1	ZINC000101152744	554657785	/nfs/dbraw/zinc/65/77/85/554657785.db2.gz	CULCPBQILUMGDD-PFBJBMPXSA-N	0	3	535.512	4.865	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000101161848	554659809	/nfs/dbraw/zinc/65/98/09/554659809.db2.gz	KGBLZUFTTAWBDC-PFBJBMPXSA-N	0	3	535.512	4.865	50	5		KJBAHN
CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC	ZINC000101173428	554662215	/nfs/dbraw/zinc/66/22/15/554662215.db2.gz	JKALMILGQCTTEK-NXCFDTQHSA-N	0	3	517.538	4.833	50	5		KJBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101174729	554662450	/nfs/dbraw/zinc/66/24/50/554662450.db2.gz	SMCKRAPUDIDSSG-PFBJBMPXSA-N	0	3	525.517	4.816	50	5		KJBAHN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000101176772	554664546	/nfs/dbraw/zinc/66/45/46/554664546.db2.gz	KTGJPNGCODAZTE-ZLNRFVROSA-N	0	3	538.354	4.725	50	5		KJBAHN
COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1cccc([N+](=O)[O-])c1	ZINC000101181463	554667123	/nfs/dbraw/zinc/66/71/23/554667123.db2.gz	ZHOHUBOBSUQXHY-VSKRKVRLSA-N	0	3	542.317	4.556	50	5		KJBAHN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000101200143	554672562	/nfs/dbraw/zinc/67/25/62/554672562.db2.gz	PQOCXMGKHRLBJX-VSKRKVRLSA-N	0	3	542.317	4.556	50	5		KJBAHN
O=C(c1ccccn1)C1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12	ZINC000101201522	554672719	/nfs/dbraw/zinc/67/27/19/554672719.db2.gz	QFQNFSBUMVTLLS-QODLHPCFSA-N	0	3	542.551	4.846	50	5		KJBAHN
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21	ZINC000101201522	554672717	/nfs/dbraw/zinc/67/27/17/554672717.db2.gz	QFQNFSBUMVTLLS-QODLHPCFSA-N	0	3	542.551	4.846	50	5		KJBAHN
CN(CCCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)Cc1ccccc1	ZINC000101501502	554788737	/nfs/dbraw/zinc/78/87/37/554788737.db2.gz	VSTOVGHKKJUCHA-UHFFFAOYSA-N	0	3	532.652	4.553	50	5		KJBAHN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000101672786	554826288	/nfs/dbraw/zinc/82/62/88/554826288.db2.gz	TXOPZUAEOPGLDM-OARDWFSCSA-N	0	3	555.543	4.825	50	5		KJBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102735982	555026185	/nfs/dbraw/zinc/02/61/85/555026185.db2.gz	KARGIIANLDRNMK-RJGXRXQPSA-N	0	3	500.898	4.848	50	5		KJBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102739122	555027714	/nfs/dbraw/zinc/02/77/14/555027714.db2.gz	XDJVBOVYZPVUFC-DNVJHFABSA-N	0	3	544.347	4.970	50	5		KJBAHN
CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102740851	555029743	/nfs/dbraw/zinc/02/97/43/555029743.db2.gz	JXJTWXJZSZYYJA-DNVJHFABSA-N	0	3	522.355	4.971	50	5		KJBAHN
CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OC	ZINC000102742450	555031683	/nfs/dbraw/zinc/03/16/83/555031683.db2.gz	RXTZBZXMDAUWOR-TWJOJJKGSA-N	0	3	517.538	4.833	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1	ZINC000102753993	555046104	/nfs/dbraw/zinc/04/61/04/555046104.db2.gz	CULCPBQILUMGDD-OYUWMTPXSA-N	0	3	535.512	4.865	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1	ZINC000102753994	555046053	/nfs/dbraw/zinc/04/60/53/555046053.db2.gz	CULCPBQILUMGDD-ZONZVBGPSA-N	0	3	535.512	4.865	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000102756016	555048825	/nfs/dbraw/zinc/04/88/25/555048825.db2.gz	KGBLZUFTTAWBDC-ZONZVBGPSA-N	0	3	535.512	4.865	50	5		KJBAHN
CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC	ZINC000102758093	555050212	/nfs/dbraw/zinc/05/02/12/555050212.db2.gz	JKALMILGQCTTEK-TWJOJJKGSA-N	0	3	517.538	4.833	50	5		KJBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102758315	193917373	/nfs/dbraw/zinc/91/73/73/193917373.db2.gz	SMCKRAPUDIDSSG-ZONZVBGPSA-N	0	3	525.517	4.816	50	5		KJBAHN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000102758671	555050634	/nfs/dbraw/zinc/05/06/34/555050634.db2.gz	KTGJPNGCODAZTE-DNVJHFABSA-N	0	3	538.354	4.725	50	5		KJBAHN
COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1cccc([N+](=O)[O-])c1	ZINC000102759433	555051222	/nfs/dbraw/zinc/05/12/22/555051222.db2.gz	ZHOHUBOBSUQXHY-YPAWHYETSA-N	0	3	542.317	4.556	50	5		KJBAHN
COc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O	ZINC000102760053	555051719	/nfs/dbraw/zinc/05/17/19/555051719.db2.gz	HXEWDDRSXPSICH-BHIFYINESA-N	0	3	514.321	4.961	50	5		KJBAHN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000102761239	555052430	/nfs/dbraw/zinc/05/24/30/555052430.db2.gz	PQOCXMGKHRLBJX-YPAWHYETSA-N	0	3	542.317	4.556	50	5		KJBAHN
COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2	ZINC000102862125	555092184	/nfs/dbraw/zinc/09/21/84/555092184.db2.gz	NOPYBGDZQFYFSS-RBZQAINGSA-N	0	3	547.589	4.681	50	5		KJBAHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000102862258	555092206	/nfs/dbraw/zinc/09/22/06/555092206.db2.gz	NILNZZSEIZWHAH-FDFHNCONSA-N	0	3	521.551	4.501	50	5		KJBAHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000102862262	555092304	/nfs/dbraw/zinc/09/23/04/555092304.db2.gz	NILNZZSEIZWHAH-BHIFYINESA-N	0	3	521.551	4.501	50	5		KJBAHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000102863234	555092959	/nfs/dbraw/zinc/09/29/59/555092959.db2.gz	ULOLGBZDOHNAAX-FDFHNCONSA-N	0	3	521.551	4.501	50	5		KJBAHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	ZINC000102863239	555092964	/nfs/dbraw/zinc/09/29/64/555092964.db2.gz	ULOLGBZDOHNAAX-BHIFYINESA-N	0	3	521.551	4.501	50	5		KJBAHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2	ZINC000102863285	555093249	/nfs/dbraw/zinc/09/32/49/555093249.db2.gz	YOOHXOKNVQNNGU-KMDXXIMOSA-N	0	3	547.589	4.763	50	5		KJBAHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2	ZINC000102863289	555093223	/nfs/dbraw/zinc/09/32/23/555093223.db2.gz	YOOHXOKNVQNNGU-TZRRMPRUSA-N	0	3	547.589	4.763	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000102889682	555124301	/nfs/dbraw/zinc/12/43/01/555124301.db2.gz	HUFMLFFVGLRPHU-PFBJBMPXSA-N	0	3	580.509	4.773	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000102889687	555124230	/nfs/dbraw/zinc/12/42/30/555124230.db2.gz	HUFMLFFVGLRPHU-VJGNERBWSA-N	0	3	580.509	4.773	50	5		KJBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1	ZINC000102893272	555130582	/nfs/dbraw/zinc/13/05/82/555130582.db2.gz	NACQJOHCJVBLGN-FCEKVYKBSA-N	0	3	565.538	4.874	50	5		KJBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1	ZINC000102893275	555130606	/nfs/dbraw/zinc/13/06/06/555130606.db2.gz	NACQJOHCJVBLGN-IARZGTGTSA-N	0	3	565.538	4.874	50	5		KJBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000102895217	555133824	/nfs/dbraw/zinc/13/38/24/555133824.db2.gz	JJWRMUDJDIYGKZ-FCEKVYKBSA-N	0	3	565.538	4.874	50	5		KJBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000102895221	555133791	/nfs/dbraw/zinc/13/37/91/555133791.db2.gz	JJWRMUDJDIYGKZ-IARZGTGTSA-N	0	3	565.538	4.874	50	5		KJBAHN
Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1	ZINC000103368895	555366166	/nfs/dbraw/zinc/36/61/66/555366166.db2.gz	UQVKHRXQIAESIM-LYZGTLIUSA-N	0	3	532.666	4.675	50	5		KJBAHN
Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1	ZINC000103368898	555366220	/nfs/dbraw/zinc/36/62/20/555366220.db2.gz	UQVKHRXQIAESIM-PIKZIKFNSA-N	0	3	532.666	4.675	50	5		KJBAHN
Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1	ZINC000103436057	555417953	/nfs/dbraw/zinc/41/79/53/555417953.db2.gz	IUBLJRQSEXWRAE-LYZGTLIUSA-N	0	3	532.666	4.675	50	5		KJBAHN
Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1	ZINC000103436058	555418073	/nfs/dbraw/zinc/41/80/73/555418073.db2.gz	IUBLJRQSEXWRAE-PIKZIKFNSA-N	0	3	532.666	4.675	50	5		KJBAHN
Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000103436103	555418018	/nfs/dbraw/zinc/41/80/18/555418018.db2.gz	XKSZODOAFZAZMD-MUUNZHRXSA-N	0	3	532.666	4.677	50	5		KJBAHN
Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000103436106	555417974	/nfs/dbraw/zinc/41/79/74/555417974.db2.gz	XKSZODOAFZAZMD-NDEPHWFRSA-N	0	3	532.666	4.677	50	5		KJBAHN
Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000103436118	555418029	/nfs/dbraw/zinc/41/80/29/555418029.db2.gz	LLKTXIDCJHZJNB-MUUNZHRXSA-N	0	3	532.666	4.677	50	5		KJBAHN
Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000103436120	555418048	/nfs/dbraw/zinc/41/80/48/555418048.db2.gz	LLKTXIDCJHZJNB-NDEPHWFRSA-N	0	3	532.666	4.677	50	5		KJBAHN
O=C(c1ccccn1)C1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12	ZINC000103541484	555438654	/nfs/dbraw/zinc/43/86/54/555438654.db2.gz	QFQNFSBUMVTLLS-CKXMCULTSA-N	0	3	542.551	4.846	50	5		KJBAHN
O=C(c1ccccn1)C1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12	ZINC000103541489	555438705	/nfs/dbraw/zinc/43/87/05/555438705.db2.gz	QFQNFSBUMVTLLS-YSGXDJDMSA-N	0	3	542.551	4.846	50	5		KJBAHN
Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1	ZINC000105060319	571390741	/nfs/dbraw/zinc/39/07/41/571390741.db2.gz	IUBLJRQSEXWRAE-KMRXNPHXSA-N	0	3	532.666	4.675	50	5		KJBAHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O	ZINC000105795365	571408713	/nfs/dbraw/zinc/40/87/13/571408713.db2.gz	CSMNRWJAVWAZLV-OZNIXHKMSA-N	0	3	585.594	4.722	50	5		KJBAHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2	ZINC000105906396	571409317	/nfs/dbraw/zinc/40/93/17/571409317.db2.gz	RKULNISVQLWWTA-KMDXXIMOSA-N	0	3	547.589	4.763	50	5		KJBAHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2	ZINC000105906398	571409320	/nfs/dbraw/zinc/40/93/20/571409320.db2.gz	RKULNISVQLWWTA-TZRRMPRUSA-N	0	3	547.589	4.763	50	5		KJBAHN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000105990213	571410029	/nfs/dbraw/zinc/41/00/29/571410029.db2.gz	TXOPZUAEOPGLDM-INNMJMHTSA-N	0	3	555.543	4.825	50	5		KJBAHN
COc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1	ZINC000106017689	571410571	/nfs/dbraw/zinc/41/05/71/571410571.db2.gz	COHIBGBERYDFRK-JCYYIGJDSA-N	0	3	565.538	4.874	50	5		KJBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1	ZINC000106018281	571410596	/nfs/dbraw/zinc/41/05/96/571410596.db2.gz	DVCZDRCEAYRFBE-UPRLRBBYSA-N	0	3	585.594	4.722	50	5		KJBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1	ZINC000106018284	571410473	/nfs/dbraw/zinc/41/04/73/571410473.db2.gz	DVCZDRCEAYRFBE-JCYYIGJDSA-N	0	3	585.594	4.722	50	5		KJBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1	ZINC000106019496	571410738	/nfs/dbraw/zinc/41/07/38/571410738.db2.gz	NACQJOHCJVBLGN-JCYYIGJDSA-N	0	3	565.538	4.874	50	5		KJBAHN
CCCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1	ZINC000106019525	571410656	/nfs/dbraw/zinc/41/06/56/571410656.db2.gz	XEPTUFMXUZSMFQ-PNIUZAESSA-N	0	3	577.590	4.851	50	5		KJBAHN
CCCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	ZINC000106019528	571410707	/nfs/dbraw/zinc/41/07/07/571410707.db2.gz	XEPTUFMXUZSMFQ-CERRFVOPSA-N	0	3	577.590	4.851	50	5		KJBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000106020474	571410806	/nfs/dbraw/zinc/41/08/06/571410806.db2.gz	JJWRMUDJDIYGKZ-JCYYIGJDSA-N	0	3	565.538	4.874	50	5		KJBAHN
CCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1	ZINC000106020707	571410820	/nfs/dbraw/zinc/41/08/20/571410820.db2.gz	ZVDLMIMHKPDZTD-RBZQAINGSA-N	0	3	568.380	4.816	50	5		KJBAHN
CCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1	ZINC000106020711	571410877	/nfs/dbraw/zinc/41/08/77/571410877.db2.gz	ZVDLMIMHKPDZTD-WXFUMESZSA-N	0	3	568.380	4.816	50	5		KJBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1	ZINC000106021021	571410943	/nfs/dbraw/zinc/41/09/43/571410943.db2.gz	FIXGWXNWRWCBJM-HZFUHODCSA-N	0	3	585.594	4.722	50	5		KJBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c1	ZINC000106021023	571410926	/nfs/dbraw/zinc/41/09/26/571410926.db2.gz	FIXGWXNWRWCBJM-OZNIXHKMSA-N	0	3	585.594	4.722	50	5		KJBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137808045	571450640	/nfs/dbraw/zinc/45/06/40/571450640.db2.gz	KARGIIANLDRNMK-YTFSRNRJSA-N	0	3	500.898	4.848	50	5		KJBAHN
CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OC	ZINC000137826674	571450587	/nfs/dbraw/zinc/45/05/87/571450587.db2.gz	RXTZBZXMDAUWOR-JIMJEQGWSA-N	0	3	517.538	4.833	50	5		KJBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000137883069	571450710	/nfs/dbraw/zinc/45/07/10/571450710.db2.gz	HXYCEHUCXGWJSZ-PCCBWWKXSA-N	0	3	500.294	4.658	50	5		KJBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137884816	571450896	/nfs/dbraw/zinc/45/08/96/571450896.db2.gz	YCWQKBYHWRTJHQ-PCCBWWKXSA-N	0	3	512.291	4.548	50	5		KJBAHN
CC(=O)Nc1ccc(C(=O)OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OCCN(C)Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000150455653	571504366	/nfs/dbraw/zinc/50/43/66/571504366.db2.gz	MQRLCKHNDMTRNX-XIFFEERXSA-N	0	3	670.719	4.863	50	5		KJBAHN
CC(=O)Nc1ccc(C(=O)OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OCCN(C)Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000150455656	571504408	/nfs/dbraw/zinc/50/44/08/571504408.db2.gz	MQRLCKHNDMTRNX-MGBGTMOVSA-N	0	3	670.719	4.863	50	5		KJBAHN
Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1	ZINC000169680900	571557337	/nfs/dbraw/zinc/55/73/37/571557337.db2.gz	UQVKHRXQIAESIM-RBTNQOKQSA-N	0	3	532.666	4.675	50	5		KJBAHN
Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1	ZINC000169680901	571557220	/nfs/dbraw/zinc/55/72/20/571557220.db2.gz	UQVKHRXQIAESIM-KMRXNPHXSA-N	0	3	532.666	4.675	50	5		KJBAHN
Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1	ZINC000169681611	571557490	/nfs/dbraw/zinc/55/74/90/571557490.db2.gz	IUBLJRQSEXWRAE-RBTNQOKQSA-N	0	3	532.666	4.675	50	5		KJBAHN
COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2	ZINC000169690228	571558419	/nfs/dbraw/zinc/55/84/19/571558419.db2.gz	NOPYBGDZQFYFSS-KMDXXIMOSA-N	0	3	547.589	4.681	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000225163844	571653642	/nfs/dbraw/zinc/65/36/42/571653642.db2.gz	HUFMLFFVGLRPHU-OYUWMTPXSA-N	0	3	580.509	4.773	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000225163925	571653639	/nfs/dbraw/zinc/65/36/39/571653639.db2.gz	HUFMLFFVGLRPHU-ZONZVBGPSA-N	0	3	580.509	4.773	50	5		KJBAHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O	ZINC000227018905	572147405	/nfs/dbraw/zinc/14/74/05/572147405.db2.gz	CSMNRWJAVWAZLV-HZFUHODCSA-N	0	3	585.594	4.722	50	5		KJBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000227070306	572148908	/nfs/dbraw/zinc/14/89/08/572148908.db2.gz	SMCKRAPUDIDSSG-OYUWMTPXSA-N	0	3	525.517	4.816	50	5		KJBAHN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000227083106	572149795	/nfs/dbraw/zinc/14/97/95/572149795.db2.gz	PQOCXMGKHRLBJX-BHDDXSALSA-N	0	3	542.317	4.556	50	5		KJBAHN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000227085874	572150228	/nfs/dbraw/zinc/15/02/28/572150228.db2.gz	TXOPZUAEOPGLDM-BXTSTYNKSA-N	0	3	555.543	4.825	50	5		KJBAHN
COc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1	ZINC000227086616	572150486	/nfs/dbraw/zinc/15/04/86/572150486.db2.gz	COHIBGBERYDFRK-HZFUHODCSA-N	0	3	565.538	4.874	50	5		KJBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1	ZINC000227230023	572150811	/nfs/dbraw/zinc/15/08/11/572150811.db2.gz	DVCZDRCEAYRFBE-HZFUHODCSA-N	0	3	585.594	4.722	50	5		KJBAHN
CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000227233830	572151758	/nfs/dbraw/zinc/15/17/58/572151758.db2.gz	JXJTWXJZSZYYJA-YTFSRNRJSA-N	0	3	522.355	4.971	50	5		KJBAHN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000227234507	572151822	/nfs/dbraw/zinc/15/18/22/572151822.db2.gz	KTGJPNGCODAZTE-YTFSRNRJSA-N	0	3	538.354	4.725	50	5		KJBAHN
COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1cccc([N+](=O)[O-])c1	ZINC000227235718	572151730	/nfs/dbraw/zinc/15/17/30/572151730.db2.gz	ZHOHUBOBSUQXHY-BHDDXSALSA-N	0	3	542.317	4.556	50	5		KJBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000227235754	572151778	/nfs/dbraw/zinc/15/17/78/572151778.db2.gz	XDJVBOVYZPVUFC-YTFSRNRJSA-N	0	3	544.347	4.970	50	5		KJBAHN
CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC	ZINC000227236528	572151651	/nfs/dbraw/zinc/15/16/51/572151651.db2.gz	JKALMILGQCTTEK-JIMJEQGWSA-N	0	3	517.538	4.833	50	5		KJBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1	ZINC000227240959	572152479	/nfs/dbraw/zinc/15/24/79/572152479.db2.gz	NACQJOHCJVBLGN-UPRLRBBYSA-N	0	3	565.538	4.874	50	5		KJBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000227243603	572153035	/nfs/dbraw/zinc/15/30/35/572153035.db2.gz	JJWRMUDJDIYGKZ-UPRLRBBYSA-N	0	3	565.538	4.874	50	5		KJBAHN
O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000227244103	572153057	/nfs/dbraw/zinc/15/30/57/572153057.db2.gz	KGBLZUFTTAWBDC-OYUWMTPXSA-N	0	3	535.512	4.865	50	5		KJBAHN
O=C(c1ccccn1)C1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12	ZINC000229596836	572155299	/nfs/dbraw/zinc/15/52/99/572155299.db2.gz	QFQNFSBUMVTLLS-WPQKMFINSA-N	0	3	542.551	4.846	50	5		KJBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21	ZINC000229869193	572162992	/nfs/dbraw/zinc/16/29/92/572162992.db2.gz	ZMDOZOHHCXQZTJ-FQJHJXCSSA-N	0	3	513.937	4.810	50	5		KJBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N21	ZINC000229874296	572164698	/nfs/dbraw/zinc/16/46/98/572164698.db2.gz	HXLIQMCRPKSYOP-TXQUNOLYSA-N	0	3	507.546	4.856	50	5		KJBAHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O	ZINC000229897106	572166668	/nfs/dbraw/zinc/16/66/68/572166668.db2.gz	CSMNRWJAVWAZLV-UPRLRBBYSA-N	0	3	585.594	4.722	50	5		KJBAHN
Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000229897106	572166666	/nfs/dbraw/zinc/16/66/66/572166666.db2.gz	CSMNRWJAVWAZLV-UPRLRBBYSA-N	0	3	585.594	4.722	50	5		KJBAHN
COc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O	ZINC000229909801	572168431	/nfs/dbraw/zinc/16/84/31/572168431.db2.gz	HXEWDDRSXPSICH-BHDDXSALSA-N	0	3	514.321	4.961	50	5		KJBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000229921168	572169689	/nfs/dbraw/zinc/16/96/89/572169689.db2.gz	HXYCEHUCXGWJSZ-PWRODBHTSA-N	0	3	500.294	4.658	50	5		KJBAHN
CCCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1	ZINC000229930655	572170813	/nfs/dbraw/zinc/17/08/13/572170813.db2.gz	XEPTUFMXUZSMFQ-BXTSTYNKSA-N	0	3	577.590	4.851	50	5		KJBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1	ZINC000229943625	572172585	/nfs/dbraw/zinc/17/25/85/572172585.db2.gz	FIXGWXNWRWCBJM-UPRLRBBYSA-N	0	3	585.594	4.722	50	5		KJBAHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000229967727	572174745	/nfs/dbraw/zinc/17/47/45/572174745.db2.gz	NILNZZSEIZWHAH-BHDDXSALSA-N	0	3	521.551	4.501	50	5		KJBAHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2	ZINC000229967761	572174412	/nfs/dbraw/zinc/17/44/12/572174412.db2.gz	YOOHXOKNVQNNGU-RBZQAINGSA-N	0	3	547.589	4.763	50	5		KJBAHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000229967816	572174715	/nfs/dbraw/zinc/17/47/15/572174715.db2.gz	ULOLGBZDOHNAAX-BHDDXSALSA-N	0	3	521.551	4.501	50	5		KJBAHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2	ZINC000229967828	572174613	/nfs/dbraw/zinc/17/46/13/572174613.db2.gz	RKULNISVQLWWTA-RBZQAINGSA-N	0	3	547.589	4.763	50	5		KJBAHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2	ZINC000238924250	572189498	/nfs/dbraw/zinc/18/94/98/572189498.db2.gz	RKULNISVQLWWTA-WXFUMESZSA-N	0	3	547.589	4.763	50	5		KJBAHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	ZINC000238937224	572189594	/nfs/dbraw/zinc/18/95/94/572189594.db2.gz	ULOLGBZDOHNAAX-YPAWHYETSA-N	0	3	521.551	4.501	50	5		KJBAHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2	ZINC000238950546	572190010	/nfs/dbraw/zinc/19/00/10/572190010.db2.gz	YOOHXOKNVQNNGU-WXFUMESZSA-N	0	3	547.589	4.763	50	5		KJBAHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000245026729	572200971	/nfs/dbraw/zinc/20/09/71/572200971.db2.gz	NILNZZSEIZWHAH-YPAWHYETSA-N	0	3	521.551	4.501	50	5		KJBAHN
COc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1	ZINC000245245248	572217186	/nfs/dbraw/zinc/21/71/86/572217186.db2.gz	COHIBGBERYDFRK-OZNIXHKMSA-N	0	3	565.538	4.874	50	5		KJBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1	ZINC000245245595	572217853	/nfs/dbraw/zinc/21/78/53/572217853.db2.gz	DVCZDRCEAYRFBE-OZNIXHKMSA-N	0	3	585.594	4.722	50	5		KJBAHN
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	ZINC000245245595	572217847	/nfs/dbraw/zinc/21/78/47/572217847.db2.gz	DVCZDRCEAYRFBE-OZNIXHKMSA-N	0	3	585.594	4.722	50	5		KJBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c1	ZINC000245245632	572217974	/nfs/dbraw/zinc/21/79/74/572217974.db2.gz	FIXGWXNWRWCBJM-JCYYIGJDSA-N	0	3	585.594	4.722	50	5		KJBAHN
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1	ZINC000245245632	572217970	/nfs/dbraw/zinc/21/79/70/572217970.db2.gz	FIXGWXNWRWCBJM-JCYYIGJDSA-N	0	3	585.594	4.722	50	5		KJBAHN
COc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O	ZINC000245246091	572218798	/nfs/dbraw/zinc/21/87/98/572218798.db2.gz	HXEWDDRSXPSICH-YPAWHYETSA-N	0	3	514.321	4.961	50	5		KJBAHN
CCCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	ZINC000245247782	572221331	/nfs/dbraw/zinc/22/13/31/572221331.db2.gz	XEPTUFMXUZSMFQ-INNMJMHTSA-N	0	3	577.590	4.851	50	5		KJBAHN
CCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1	ZINC000245247959	572221580	/nfs/dbraw/zinc/22/15/80/572221580.db2.gz	ZVDLMIMHKPDZTD-TZRRMPRUSA-N	0	3	568.380	4.816	50	5		KJBAHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O	ZINC000245325167	572231533	/nfs/dbraw/zinc/23/15/33/572231533.db2.gz	CSMNRWJAVWAZLV-JCYYIGJDSA-N	0	3	585.594	4.722	50	5		KJBAHN
O=C(c1ccccn1)C1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12	ZINC000247335049	572241635	/nfs/dbraw/zinc/24/16/35/572241635.db2.gz	QFQNFSBUMVTLLS-QNNAYCHJSA-N	0	3	542.551	4.846	50	5		KJBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21	ZINC000253387169	572282452	/nfs/dbraw/zinc/28/24/52/572282452.db2.gz	ZMDOZOHHCXQZTJ-NXNJFABFSA-N	0	3	513.937	4.810	50	5		KJBAHN