smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN[C@H](c1sc2nc(C)cc(C)c2c1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000012420144	520696994	/nfs/dbraw/zinc/69/69/94/520696994.db2.gz	GTRYXZDJZOWIHS-QHCPKHFHSA-N	0	3	488.613	6.553	50	5		JKBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000008836551	554736612	/nfs/dbraw/zinc/73/66/12/554736612.db2.gz	VNLGKTVCIIXHRS-QORCZRPOSA-N	0	3	460.917	5.245	50	5		JKBAHN
Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1	ZINC000008969883	554843605	/nfs/dbraw/zinc/84/36/05/554843605.db2.gz	LJGHXTRSZYJMNR-KRWDZBQOSA-N	0	3	472.240	5.054	50	5		JKBAHN
Cc1cccc2oc3cc(NCCCN4CCCC[C@H]4C)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12	ZINC000009087993	554889974	/nfs/dbraw/zinc/88/99/74/554889974.db2.gz	WRELKXXBDMWAER-LJQANCHMSA-N	0	3	481.596	5.926	50	5		JKBAHN
CC1(C)CCCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1	ZINC000009465201	555238835	/nfs/dbraw/zinc/23/88/35/555238835.db2.gz	QTNXFRHKIMCDIV-UHFFFAOYSA-N	0	3	481.596	5.865	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1cccc2ccccc21	ZINC000013805038	555622932	/nfs/dbraw/zinc/62/29/32/555622932.db2.gz	DBBQJJJRVZFRHU-UBFVSLLYSA-N	0	3	499.910	5.453	50	5		JKBAHN
O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)c2ncccc12	ZINC000029620591	556354126	/nfs/dbraw/zinc/35/41/26/556354126.db2.gz	WIXHYHCDQITEEL-UHFFFAOYSA-N	0	3	453.546	5.077	50	5		JKBAHN
CSc1ccc(CN(Cc2ccc(SC)cc2)[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000032925380	556542197	/nfs/dbraw/zinc/54/21/97/556542197.db2.gz	VPUICQZXBVWLTH-JWQCQUIFSA-N	0	3	484.643	5.135	50	5		JKBAHN
CSc1ccc(CN(Cc2ccc(SC)cc2)[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000032925374	556542253	/nfs/dbraw/zinc/54/22/53/556542253.db2.gz	VPUICQZXBVWLTH-DQEYMECFSA-N	0	3	484.643	5.135	50	5		JKBAHN
Cc1ccccc1[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C	ZINC000034698742	569647856	/nfs/dbraw/zinc/64/78/56/569647856.db2.gz	ZAJFJTRMBWJPSW-SHQCIBLASA-N	0	3	489.591	5.809	50	5		JKBAHN
Cc1ccc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1	ZINC000034699293	569648440	/nfs/dbraw/zinc/64/84/40/569648440.db2.gz	YCWQJWMZRUIMCE-KAYWLYCHSA-N	0	3	486.616	5.199	50	5		JKBAHN
CC(C)C(=O)N(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1)C1CCCCC1	ZINC000034740670	569655585	/nfs/dbraw/zinc/65/55/85/569655585.db2.gz	RMEJFOBXHWKKLX-AZGAKELHSA-N	0	3	463.622	5.628	50	5		JKBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1	ZINC000102745533	569819749	/nfs/dbraw/zinc/81/97/49/569819749.db2.gz	BITHNFCOBAMDHH-FDFHNCONSA-N	0	3	498.322	5.261	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(-c2ccccc2)c1	ZINC000102765503	569822918	/nfs/dbraw/zinc/82/29/18/569822918.db2.gz	JRARFLXUKCVKRZ-ZONZVBGPSA-N	0	3	491.503	5.313	50	5		JKBAHN
COc1cccc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]2CN(C(C)=O)C2CCCCC2)c1	ZINC000105051053	569852551	/nfs/dbraw/zinc/85/25/51/569852551.db2.gz	XCWJSSOEWHBWBO-BVAGGSTKSA-N	0	3	465.594	5.000	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000227018549	570039704	/nfs/dbraw/zinc/03/97/04/570039704.db2.gz	KHIKRHXUAYKXPT-CCDWMCETSA-N	0	3	499.454	5.045	50	5		JKBAHN
CC(C)CN(C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F	ZINC000248213050	570076245	/nfs/dbraw/zinc/07/62/45/570076245.db2.gz	FCOWCWJXBTZBIY-IGKIAQTJSA-N	0	3	489.591	5.748	50	5		JKBAHN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])[C@@]4(Cl)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000257348787	570152555	/nfs/dbraw/zinc/15/25/55/570152555.db2.gz	IUOUNLSFGGCHFC-STSCQWBZSA-N	0	3	466.106	7.293	50	5		JKBAHN
O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1	ZINC000009358142	194712008	/nfs/dbraw/zinc/71/20/08/194712008.db2.gz	IVDRVLCURNZVJA-LJQANCHMSA-N	0	3	468.252	5.153	50	5		JKBAHN
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000002110482	554049350	/nfs/dbraw/zinc/04/93/50/554049350.db2.gz	VDINKGAMNBIDDV-SANMLTNESA-N	0	3	473.529	5.216	50	5	biogenic,in-vitro	JKBAHN
Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000002218195	554099240	/nfs/dbraw/zinc/09/92/40/554099240.db2.gz	GQLPTZCWKBGLGI-JOCHJYFZSA-N	0	3	483.505	5.678	50	5		JKBAHN
Cc1cccc2oc3cc(NCCCN4CCC[C@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12	ZINC000008741373	554643678	/nfs/dbraw/zinc/64/36/78/554643678.db2.gz	YMVMKWRGNSCKJJ-SFHVURJKSA-N	0	3	481.596	5.783	50	5		JKBAHN
CC[C@H]1CCCCN1CCCNc1cc2oc3cccc(C)c3[nH]c2c2c(=O)c3ccccc3c(=O)c12	ZINC000008744537	554647789	/nfs/dbraw/zinc/64/77/89/554647789.db2.gz	CIIZMYVFZUJLLF-FQEVSTJZSA-N	0	3	495.623	6.316	50	5		JKBAHN
C[C@H]1CCCCN1CCCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12	ZINC000008914623	554807600	/nfs/dbraw/zinc/80/76/00/554807600.db2.gz	PVQJLDHFAFIYFX-SFHVURJKSA-N	0	3	467.569	5.617	50	5		JKBAHN
C[C@@H]1CCCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1	ZINC000009009868	554863470	/nfs/dbraw/zinc/86/34/70/554863470.db2.gz	SCASMDVWUWDPBY-GOSISDBHSA-N	0	3	467.569	5.475	50	5		JKBAHN
COc1ccc([C@@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000009019754	554867027	/nfs/dbraw/zinc/86/70/27/554867027.db2.gz	QDIXKEGDBTYJGN-ATPOPXNDSA-N	0	3	490.943	5.253	50	5		JKBAHN
O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21	ZINC000009086428	554888802	/nfs/dbraw/zinc/88/88/02/554888802.db2.gz	TWHRUEBSETZMFV-JLLPCOHGSA-N	0	3	475.342	5.345	50	5		JKBAHN
O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1	ZINC000009281025	555049884	/nfs/dbraw/zinc/04/98/84/555049884.db2.gz	IVDRVLCURNZVJA-IBGZPJMESA-N	0	3	468.252	5.153	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccccc1	ZINC000009312434	555088811	/nfs/dbraw/zinc/08/88/11/555088811.db2.gz	YAGSEIQCOXLKEW-UBFVSLLYSA-N	0	3	497.532	5.374	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000009360072	555123426	/nfs/dbraw/zinc/12/34/26/555123426.db2.gz	KHIKRHXUAYKXPT-UBFVSLLYSA-N	0	3	499.454	5.045	50	5		JKBAHN
CCN(CC)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCO3	ZINC000010066866	555614105	/nfs/dbraw/zinc/61/41/05/555614105.db2.gz	QQSZHCVEIJTYNR-UHFFFAOYSA-N	0	3	498.586	5.137	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1cccc2ccccc21	ZINC000013805041	555622969	/nfs/dbraw/zinc/62/29/69/555622969.db2.gz	DBBQJJJRVZFRHU-DSNGMDLFSA-N	0	3	499.910	5.453	50	5		JKBAHN
O=c1cc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c2c(ccc3ccccc32)o1	ZINC000015524063	555913203	/nfs/dbraw/zinc/91/32/03/555913203.db2.gz	HGWCSGXEHDNYBA-UHFFFAOYSA-N	0	3	453.464	5.072	50	5		JKBAHN
CSc1ccc(CN(Cc2ccc(SC)cc2)[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000032925378	556542128	/nfs/dbraw/zinc/54/21/28/556542128.db2.gz	VPUICQZXBVWLTH-LOSJGSFVSA-N	0	3	484.643	5.135	50	5		JKBAHN
CC(C)CN(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740465	569655429	/nfs/dbraw/zinc/65/54/29/569655429.db2.gz	CJYKODOJDRSYCG-ISKFKSNPSA-N	0	3	455.574	5.090	50	5		JKBAHN
CC(C)(C)c1ccc([C@H](CC(=O)NCCN2CCCC2)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1	ZINC000037381591	569785158	/nfs/dbraw/zinc/78/51/58/569785158.db2.gz	GXXYQLYISSQKPO-QFIPXVFZSA-N	0	3	462.594	5.108	50	5		JKBAHN
CC(C)(C)c1ccc([C@@H](CC(=O)NCCN2CCCC2)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1	ZINC000037381587	569785169	/nfs/dbraw/zinc/78/51/69/569785169.db2.gz	GXXYQLYISSQKPO-JOCHJYFZSA-N	0	3	462.594	5.108	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102706938	569816529	/nfs/dbraw/zinc/81/65/29/569816529.db2.gz	SRLUQNQQGCXAOS-CCDWMCETSA-N	0	3	499.910	5.453	50	5		JKBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000245311681	570063544	/nfs/dbraw/zinc/06/35/44/570063544.db2.gz	QDIXKEGDBTYJGN-GGLXGSTNSA-N	0	3	490.943	5.253	50	5		JKBAHN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000248085238	570073778	/nfs/dbraw/zinc/07/37/78/570073778.db2.gz	WGCKGYUFBBLHEK-ASDGIDEWSA-N	0	3	473.960	5.302	50	5		JKBAHN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000248085239	570073783	/nfs/dbraw/zinc/07/37/83/570073783.db2.gz	WGCKGYUFBBLHEK-QEGGNFSNSA-N	0	3	473.960	5.302	50	5		JKBAHN
COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CN(C(C)=O)C2CCCCC2)c1	ZINC000253388926	570095655	/nfs/dbraw/zinc/09/56/55/570095655.db2.gz	OPDPTJWOXORRGO-HOFKKMOUSA-N	0	3	465.594	5.000	50	5		JKBAHN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])[C@@]4(Cl)CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C	ZINC000257348786	570152532	/nfs/dbraw/zinc/15/25/32/570152532.db2.gz	IUOUNLSFGGCHFC-SIKHBXEDSA-N	0	3	466.106	7.293	50	5		JKBAHN
Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc([N+](=O)[O-])c1)N(c1nnc(CC(C)C)s1)C3=O	ZINC000001876598	194151744	/nfs/dbraw/zinc/15/17/44/194151744.db2.gz	WWYVWJQSSJBKNE-OAQYLSRUSA-N	0	3	490.541	5.118	50	5		JKBAHN
Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000002237203	554108140	/nfs/dbraw/zinc/10/81/40/554108140.db2.gz	WOTGECRIIBEOCZ-NRFANRHFSA-N	0	3	469.478	5.369	50	5		JKBAHN
Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)sc1C	ZINC000008827413	554717245	/nfs/dbraw/zinc/71/72/45/554717245.db2.gz	QRIVLAPSVABSSS-SFHVURJKSA-N	0	3	467.890	5.178	50	5		JKBAHN
Cc1ccc2[nH]c3c(cc(NCCCN4CCC[C@H](C)C4)c4c(=O)c5ccccc5c(=O)c34)oc2c1	ZINC000008997294	554858527	/nfs/dbraw/zinc/85/85/27/554858527.db2.gz	MEILRLZNRGDGAO-IBGZPJMESA-N	0	3	481.596	5.783	50	5		JKBAHN
Cc1ccc2[nH]c3c(cc(NCCCN4CCC(C)CC4)c4c(=O)c5ccccc5c(=O)c34)oc2c1	ZINC000008997478	554859245	/nfs/dbraw/zinc/85/92/45/554859245.db2.gz	SVTBRBOYXZJEGJ-UHFFFAOYSA-N	0	3	481.596	5.783	50	5		JKBAHN
COc1ccc([C@@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000009272148	555044684	/nfs/dbraw/zinc/04/46/84/555044684.db2.gz	VNLGKTVCIIXHRS-ZKGSSEMHSA-N	0	3	460.917	5.245	50	5		JKBAHN
O=C(c1ccc(Br)cc1)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21	ZINC000009636677	555344262	/nfs/dbraw/zinc/34/42/62/555344262.db2.gz	NVSRYIFVBUTHEE-KIHHCIJBSA-N	0	3	475.342	5.345	50	5		JKBAHN
O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21	ZINC000016035066	556118683	/nfs/dbraw/zinc/11/86/83/556118683.db2.gz	TWHRUEBSETZMFV-KIHHCIJBSA-N	0	3	475.342	5.345	50	5		JKBAHN
O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21	ZINC000016035068	556118722	/nfs/dbraw/zinc/11/87/22/556118722.db2.gz	TWHRUEBSETZMFV-KEZOAJOQSA-N	0	3	475.342	5.345	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000018167527	556297313	/nfs/dbraw/zinc/29/73/13/556297313.db2.gz	KHIKRHXUAYKXPT-DSNGMDLFSA-N	0	3	499.454	5.045	50	5		JKBAHN
CC(C)CN(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1	ZINC000034699028	569648158	/nfs/dbraw/zinc/64/81/58/569648158.db2.gz	HDSJAUZSABQDCL-AHKZPQOWSA-N	0	3	489.591	5.748	50	5		JKBAHN
CC(C)CN(C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F	ZINC000034698973	569648258	/nfs/dbraw/zinc/64/82/58/569648258.db2.gz	FCOWCWJXBTZBIY-SHQCIBLASA-N	0	3	489.591	5.748	50	5		JKBAHN
COc1cccc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2CN(C(C)=O)C2CCCCC2)c1	ZINC000034754863	569655714	/nfs/dbraw/zinc/65/57/14/569655714.db2.gz	XCWJSSOEWHBWBO-JYFHCDHNSA-N	0	3	465.594	5.000	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102741971	569819300	/nfs/dbraw/zinc/81/93/00/569819300.db2.gz	KHIKRHXUAYKXPT-ISJGIBHGSA-N	0	3	499.454	5.045	50	5		JKBAHN
COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2CN(C(C)=O)C2CCCCC2)c1	ZINC000105051301	569852500	/nfs/dbraw/zinc/85/25/00/569852500.db2.gz	OPDPTJWOXORRGO-KCWPFWIISA-N	0	3	465.594	5.000	50	5		JKBAHN
O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21	ZINC000108520441	569859499	/nfs/dbraw/zinc/85/94/99/569859499.db2.gz	TWHRUEBSETZMFV-LWSSLDFYSA-N	0	3	475.342	5.345	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000137915901	569865417	/nfs/dbraw/zinc/86/54/17/569865417.db2.gz	DBBQJJJRVZFRHU-CCDWMCETSA-N	0	3	499.910	5.453	50	5		JKBAHN
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(Cl)cc2Cl)c1	ZINC000229950402	570042644	/nfs/dbraw/zinc/04/26/44/570042644.db2.gz	BITHNFCOBAMDHH-BHDDXSALSA-N	0	3	498.322	5.261	50	5		JKBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1	ZINC000229950402	570042645	/nfs/dbraw/zinc/04/26/45/570042645.db2.gz	BITHNFCOBAMDHH-BHDDXSALSA-N	0	3	498.322	5.261	50	5		JKBAHN
Cc1ccc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1	ZINC000230123090	570045197	/nfs/dbraw/zinc/04/51/97/570045197.db2.gz	YCWQJWMZRUIMCE-RRPNLBNLSA-N	0	3	486.616	5.199	50	5		JKBAHN
CC(C)C(=O)N(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1)C1CCCCC1	ZINC000245329215	570066147	/nfs/dbraw/zinc/06/61/47/570066147.db2.gz	RMEJFOBXHWKKLX-RSXGOPAZSA-N	0	3	463.622	5.628	50	5		JKBAHN
Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(CN6CCCCC6)o5)nc34)c21	ZINC000033327012	524208226	/nfs/dbraw/zinc/20/82/26/524208226.db2.gz	ZBCZLJXAHWBKHE-UHFFFAOYSA-N	0	3	454.506	5.379	50	5		JKBAHN
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000002110483	554049339	/nfs/dbraw/zinc/04/93/39/554049339.db2.gz	VDINKGAMNBIDDV-AREMUKBSSA-N	0	3	473.529	5.216	50	5	biogenic,in-vitro	JKBAHN
Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000002218194	554099212	/nfs/dbraw/zinc/09/92/12/554099212.db2.gz	GQLPTZCWKBGLGI-QFIPXVFZSA-N	0	3	483.505	5.678	50	5		JKBAHN
Cc1ccc2[nH]c3c(cc(NCCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c34)oc2c1	ZINC000008744460	554647743	/nfs/dbraw/zinc/64/77/43/554647743.db2.gz	FARGLUKXRQSFLA-UHFFFAOYSA-N	0	3	453.542	5.147	50	5		JKBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000008836553	554736654	/nfs/dbraw/zinc/73/66/54/554736654.db2.gz	VNLGKTVCIIXHRS-ROHNOIKCSA-N	0	3	460.917	5.245	50	5		JKBAHN
Cc1ccc2oc3cc(NCCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1	ZINC000009089679	554890439	/nfs/dbraw/zinc/89/04/39/554890439.db2.gz	NDFFFHOTAMRCLE-UHFFFAOYSA-N	0	3	453.542	5.147	50	5		JKBAHN
Cc1ccc2[nH]c3c(cc(NCCCN4CCCC[C@@H]4C)c4c(=O)c5ccccc5c(=O)c34)oc2c1	ZINC000009089916	554890637	/nfs/dbraw/zinc/89/06/37/554890637.db2.gz	PCNMKHYDYNAWHV-IBGZPJMESA-N	0	3	481.596	5.926	50	5		JKBAHN
O=C1c2oc3ccccc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1nc2ccccc2s1	ZINC000009186979	554959077	/nfs/dbraw/zinc/95/90/77/554959077.db2.gz	FYNSJPUCSWZTHT-FQEVSTJZSA-N	0	3	455.451	5.061	50	5		JKBAHN
Cc1ccc2oc3cc(NCCCN4CCC[C@@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1	ZINC000009424624	555189396	/nfs/dbraw/zinc/18/93/96/555189396.db2.gz	FGIOGFFEWQHKLV-LJQANCHMSA-N	0	3	481.596	5.783	50	5		JKBAHN
Cc1ccc2oc3cc(NCCCN4CCC[C@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1	ZINC000009425287	555189848	/nfs/dbraw/zinc/18/98/48/555189848.db2.gz	FGIOGFFEWQHKLV-IBGZPJMESA-N	0	3	481.596	5.783	50	5		JKBAHN
O=[N+]([O-])c1cccc(-c2cc(C3CCN(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)n[nH]2)c1	ZINC000013398375	555395228	/nfs/dbraw/zinc/39/52/28/555395228.db2.gz	ANLKTRTXQJHMHV-UHFFFAOYSA-N	0	3	498.427	6.402	50	5		JKBAHN
CCN(CC)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2s1	ZINC000012342195	555954595	/nfs/dbraw/zinc/95/45/95/555954595.db2.gz	IBADFDUFLBPNFH-UHFFFAOYSA-N	0	3	454.577	5.408	50	5		JKBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000016037622	556119979	/nfs/dbraw/zinc/11/99/79/556119979.db2.gz	VNLGKTVCIIXHRS-OJJQZRKESA-N	0	3	460.917	5.245	50	5		JKBAHN
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017995977	556275006	/nfs/dbraw/zinc/27/50/06/556275006.db2.gz	TZGJHJKWADXIOC-CYXNTTPDSA-N	0	3	479.492	5.108	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccccc1	ZINC000018067110	556282594	/nfs/dbraw/zinc/28/25/94/556282594.db2.gz	YAGSEIQCOXLKEW-DSNGMDLFSA-N	0	3	497.532	5.374	50	5		JKBAHN
Cn1c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccccc1	ZINC000055382844	569591653	/nfs/dbraw/zinc/59/16/53/569591653.db2.gz	CVEZWAPMIGKZTB-UHFFFAOYSA-N	0	3	461.565	6.956	50	5		JKBAHN
Cc1ccccc1[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C	ZINC000034698743	569647934	/nfs/dbraw/zinc/64/79/34/569647934.db2.gz	ZAJFJTRMBWJPSW-SQHAQQRYSA-N	0	3	489.591	5.809	50	5		JKBAHN
CC(C)C(=O)N(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1)C1CCCCC1	ZINC000034740671	569655494	/nfs/dbraw/zinc/65/54/94/569655494.db2.gz	RMEJFOBXHWKKLX-AOYPEHQESA-N	0	3	463.622	5.628	50	5		JKBAHN
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101147917	569784651	/nfs/dbraw/zinc/78/46/51/569784651.db2.gz	TZGJHJKWADXIOC-NXCFDTQHSA-N	0	3	479.492	5.108	50	5		JKBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c(C)c1	ZINC000102766473	569823066	/nfs/dbraw/zinc/82/30/66/569823066.db2.gz	XRNUNXKWWYCCAH-RJGXRXQPSA-N	0	3	495.894	5.055	50	5		JKBAHN
CC(C)CN(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1	ZINC000105041401	569851713	/nfs/dbraw/zinc/85/17/13/569851713.db2.gz	HDSJAUZSABQDCL-VPUSJEBWSA-N	0	3	489.591	5.748	50	5		JKBAHN
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000137670579	569865142	/nfs/dbraw/zinc/86/51/42/569865142.db2.gz	TZGJHJKWADXIOC-JIMJEQGWSA-N	0	3	479.492	5.108	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000137915821	569865426	/nfs/dbraw/zinc/86/54/26/569865426.db2.gz	DBBQJJJRVZFRHU-ISJGIBHGSA-N	0	3	499.910	5.453	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1c1ccccc1	ZINC000226939223	570039552	/nfs/dbraw/zinc/03/95/52/570039552.db2.gz	YAGSEIQCOXLKEW-CCDWMCETSA-N	0	3	497.532	5.374	50	5		JKBAHN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000229817199	570041291	/nfs/dbraw/zinc/04/12/91/570041291.db2.gz	WGCKGYUFBBLHEK-KEVKATSASA-N	0	3	473.960	5.302	50	5		JKBAHN
O=C(c1ccc(Br)cc1)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21	ZINC000229950555	570042712	/nfs/dbraw/zinc/04/27/12/570042712.db2.gz	NVSRYIFVBUTHEE-LWSSLDFYSA-N	0	3	475.342	5.345	50	5		JKBAHN
Fc1ccc(CN2CCCN(c3nc(C(F)(F)F)nc4ccc5ccccc5c43)CC2)cc1	ZINC000240465843	570053078	/nfs/dbraw/zinc/05/30/78/570053078.db2.gz	GASJNDCYWXNBLJ-UHFFFAOYSA-N	0	3	454.471	5.653	50	5		JKBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@H]3C2=O)c(C)c1	ZINC000245247802	570059447	/nfs/dbraw/zinc/05/94/47/570059447.db2.gz	XRNUNXKWWYCCAH-DNVJHFABSA-N	0	3	495.894	5.055	50	5		JKBAHN
CC(C)CN(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000248142626	570075296	/nfs/dbraw/zinc/07/52/96/570075296.db2.gz	CJYKODOJDRSYCG-VWNXMTODSA-N	0	3	455.574	5.090	50	5		JKBAHN
CC(C)CN(C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F	ZINC000248213054	570076228	/nfs/dbraw/zinc/07/62/28/570076228.db2.gz	FCOWCWJXBTZBIY-SQHAQQRYSA-N	0	3	489.591	5.748	50	5		JKBAHN
CC(C)CN(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1	ZINC000248218739	570076257	/nfs/dbraw/zinc/07/62/57/570076257.db2.gz	HDSJAUZSABQDCL-BDYUSTAISA-N	0	3	489.591	5.748	50	5		JKBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000252441434	570080580	/nfs/dbraw/zinc/08/05/80/570080580.db2.gz	VNLGKTVCIIXHRS-WSOYEBOPSA-N	0	3	460.917	5.245	50	5		JKBAHN
COc1cccc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2CN(C(C)=O)C2CCCCC2)c1	ZINC000253388932	570095606	/nfs/dbraw/zinc/09/56/06/570095606.db2.gz	XCWJSSOEWHBWBO-OZXSUGGESA-N	0	3	465.594	5.000	50	5		JKBAHN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])[C@@]4(Cl)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257348785	570152587	/nfs/dbraw/zinc/15/25/87/570152587.db2.gz	IUOUNLSFGGCHFC-KYPVLXPRSA-N	0	3	466.106	7.293	50	5		JKBAHN
COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1c3ccccc3cc3ccccc31)CC2	ZINC000002907872	523050606	/nfs/dbraw/zinc/05/06/06/523050606.db2.gz	ADOHUMAYDWBRFV-YTTGMZPUSA-N	0	3	494.034	7.811	50	5		JKBAHN
CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000002212956	554096314	/nfs/dbraw/zinc/09/63/14/554096314.db2.gz	YHWJLUODTSRMQG-QHCPKHFHSA-N	0	3	497.532	6.184	50	5		JKBAHN
Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc([N+](=O)[O-])c1)N(c1nc2c(cc(C)cc2C)s1)C3=O	ZINC000002216400	554098238	/nfs/dbraw/zinc/09/82/38/554098238.db2.gz	QIPFVUWSXITDAW-HSZRJFAPSA-N	0	3	497.532	5.986	50	5		JKBAHN
Cc1ccc2oc3cc(NCCCN4CCCC(C)(C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1	ZINC000009009908	554863491	/nfs/dbraw/zinc/86/34/91/554863491.db2.gz	NBCSBAYIBNSAKD-UHFFFAOYSA-N	0	3	495.623	6.173	50	5		JKBAHN
C[C@H]1CCCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1	ZINC000009009869	554863527	/nfs/dbraw/zinc/86/35/27/554863527.db2.gz	SCASMDVWUWDPBY-SFHVURJKSA-N	0	3	467.569	5.475	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000009075393	554886670	/nfs/dbraw/zinc/88/66/70/554886670.db2.gz	SRLUQNQQGCXAOS-UBFVSLLYSA-N	0	3	499.910	5.453	50	5		JKBAHN
Cc1ccc2[nH]c3c(cc(NCCCN4CCCC[C@H]4C)c4c(=O)c5ccccc5c(=O)c34)oc2c1	ZINC000009089917	554890728	/nfs/dbraw/zinc/89/07/28/554890728.db2.gz	PCNMKHYDYNAWHV-LJQANCHMSA-N	0	3	481.596	5.926	50	5		JKBAHN
CC1CCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1	ZINC000009461833	555230190	/nfs/dbraw/zinc/23/01/90/555230190.db2.gz	NQRRXYJSOMYOLD-UHFFFAOYSA-N	0	3	467.569	5.475	50	5		JKBAHN
O=C(c1ccc(Br)cc1)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21	ZINC000009636671	555344269	/nfs/dbraw/zinc/34/42/69/555344269.db2.gz	NVSRYIFVBUTHEE-KEZOAJOQSA-N	0	3	475.342	5.345	50	5		JKBAHN
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1	ZINC000012549700	556029955	/nfs/dbraw/zinc/02/99/55/556029955.db2.gz	QWEMDPHEGOJSJO-QHCPKHFHSA-N	0	3	493.361	5.351	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000018208056	556310232	/nfs/dbraw/zinc/31/02/32/556310232.db2.gz	SRLUQNQQGCXAOS-DSNGMDLFSA-N	0	3	499.910	5.453	50	5		JKBAHN
CSc1ccc(CN(Cc2ccc(SC)cc2)[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000032925376	556542102	/nfs/dbraw/zinc/54/21/02/556542102.db2.gz	VPUICQZXBVWLTH-RPBOFIJWSA-N	0	3	484.643	5.135	50	5		JKBAHN
Cc1ccc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1	ZINC000034699292	569648425	/nfs/dbraw/zinc/64/84/25/569648425.db2.gz	YCWQJWMZRUIMCE-SXOMAYOGSA-N	0	3	486.616	5.199	50	5		JKBAHN
CC(C)CN(C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740462	569655321	/nfs/dbraw/zinc/65/53/21/569655321.db2.gz	HXSNRJVTBZZWJU-WIOPSUGQSA-N	0	3	455.574	5.090	50	5		JKBAHN
COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2CN(C(C)=O)C2CCCCC2)c1	ZINC000034754862	569655711	/nfs/dbraw/zinc/65/57/11/569655711.db2.gz	OPDPTJWOXORRGO-YIXXDRMTSA-N	0	3	465.594	5.000	50	5		JKBAHN
O=C(C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(Cl)c1)NCCN1CCCC1	ZINC000037379707	569784843	/nfs/dbraw/zinc/78/48/43/569784843.db2.gz	KYQRLHPRLNMKKE-KRWDZBQOSA-N	0	3	475.376	5.117	50	5		JKBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000106536504	569854284	/nfs/dbraw/zinc/85/42/84/569854284.db2.gz	QDIXKEGDBTYJGN-CBRSEMLDSA-N	0	3	490.943	5.253	50	5		JKBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1	ZINC000245245182	570058920	/nfs/dbraw/zinc/05/89/20/570058920.db2.gz	BITHNFCOBAMDHH-YPAWHYETSA-N	0	3	498.322	5.261	50	5		JKBAHN
CC(C)CN(C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000245327035	570065084	/nfs/dbraw/zinc/06/50/84/570065084.db2.gz	HXSNRJVTBZZWJU-RDGATRHJSA-N	0	3	455.574	5.090	50	5		JKBAHN
CC(C)C(=O)N(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1)C1CCCCC1	ZINC000245329211	570066068	/nfs/dbraw/zinc/06/60/68/570066068.db2.gz	RMEJFOBXHWKKLX-AHWVRZQESA-N	0	3	463.622	5.628	50	5		JKBAHN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000257348880	570152640	/nfs/dbraw/zinc/15/26/40/570152640.db2.gz	JQQAXXNZGKFEGG-LRPKLTENSA-N	0	3	468.122	7.085	50	5		JKBAHN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257348881	570152688	/nfs/dbraw/zinc/15/26/88/570152688.db2.gz	JQQAXXNZGKFEGG-RCKQFEONSA-N	0	3	468.122	7.085	50	5		JKBAHN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C	ZINC000257348882	570152698	/nfs/dbraw/zinc/15/26/98/570152698.db2.gz	JQQAXXNZGKFEGG-SLDOBEGXSA-N	0	3	468.122	7.085	50	5		JKBAHN
CC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1	ZINC000001815386	194145341	/nfs/dbraw/zinc/14/53/41/194145341.db2.gz	JXEIGNVQVVRYBL-IBGZPJMESA-N	0	3	496.932	5.154	50	5		JKBAHN
CC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1	ZINC000001815387	194145495	/nfs/dbraw/zinc/14/54/95/194145495.db2.gz	JXEIGNVQVVRYBL-LJQANCHMSA-N	0	3	496.932	5.154	50	5		JKBAHN
Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc([N+](=O)[O-])c1)N(c1nc2c(cc(C)cc2C)s1)C3=O	ZINC000002216398	554098183	/nfs/dbraw/zinc/09/81/83/554098183.db2.gz	QIPFVUWSXITDAW-QHCPKHFHSA-N	0	3	497.532	5.986	50	5		JKBAHN
COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000002342661	554156588	/nfs/dbraw/zinc/15/65/88/554156588.db2.gz	WITLXZBADUSDOV-OAQYLSRUSA-N	0	3	485.477	5.069	50	5		JKBAHN
Cc1ccc2[nH]c3c(cc(NCCCN4CCC[C@@H](C)C4)c4c(=O)c5ccccc5c(=O)c34)oc2c1	ZINC000008997295	554858483	/nfs/dbraw/zinc/85/84/83/554858483.db2.gz	MEILRLZNRGDGAO-LJQANCHMSA-N	0	3	481.596	5.783	50	5		JKBAHN
Cc1ccc2oc3cc(NCCCN4CCC(C)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1	ZINC000009087801	554889682	/nfs/dbraw/zinc/88/96/82/554889682.db2.gz	LNNLVBYNBVWVOM-UHFFFAOYSA-N	0	3	481.596	5.783	50	5		JKBAHN
Cc1cccc2oc3cc(NCCCN4CCCC[C@@H]4C)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12	ZINC000009087992	554889931	/nfs/dbraw/zinc/88/99/31/554889931.db2.gz	WRELKXXBDMWAER-IBGZPJMESA-N	0	3	481.596	5.926	50	5		JKBAHN
Cc1cccc2oc3cc(NCCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12	ZINC000009462277	555231097	/nfs/dbraw/zinc/23/10/97/555231097.db2.gz	AEOIUHUDRCTOCD-UHFFFAOYSA-N	0	3	453.542	5.147	50	5		JKBAHN
CN(C)c1ccc([C@@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000008691764	562954229	/nfs/dbraw/zinc/95/42/29/562954229.db2.gz	WGCKGYUFBBLHEK-FXSWLTOZSA-N	0	3	473.960	5.302	50	5		JKBAHN
CC(C)CN(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740464	569655288	/nfs/dbraw/zinc/65/52/88/569655288.db2.gz	CJYKODOJDRSYCG-LADGPHEKSA-N	0	3	455.574	5.090	50	5		JKBAHN
CCc1cccc2c([C@H](CC(=O)N(CCN(C)C)Cc3ccccc3)c3cccc([N+](=O)[O-])c3)c[nH]c21	ZINC000035908188	569723795	/nfs/dbraw/zinc/72/37/95/569723795.db2.gz	YRBIFVHBJNRDEX-HHHXNRCGSA-N	0	3	498.627	5.751	50	5		JKBAHN
COc1ccccc1Nc1c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2nc2c1CCCC2	ZINC000101482971	569799320	/nfs/dbraw/zinc/79/93/20/569799320.db2.gz	NBUQFCZEBPCOKH-UHFFFAOYSA-N	0	3	458.474	5.619	50	5		JKBAHN
COc1ccccc1Nc1c2cc([N-]C(=O)c3ccc([N+](=O)[O-])o3)ccc2[nH+]c2c1CCCC2	ZINC000101482971	569799322	/nfs/dbraw/zinc/79/93/22/569799322.db2.gz	NBUQFCZEBPCOKH-UHFFFAOYSA-N	0	3	458.474	5.619	50	5		JKBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1	ZINC000102745536	569819707	/nfs/dbraw/zinc/81/97/07/569819707.db2.gz	BITHNFCOBAMDHH-BHIFYINESA-N	0	3	498.322	5.261	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1	ZINC000102765499	569822899	/nfs/dbraw/zinc/82/28/99/569822899.db2.gz	JRARFLXUKCVKRZ-OYUWMTPXSA-N	0	3	491.503	5.313	50	5		JKBAHN
Cc1ccccc1[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C	ZINC000105041750	569851729	/nfs/dbraw/zinc/85/17/29/569851729.db2.gz	ZAJFJTRMBWJPSW-IGKIAQTJSA-N	0	3	489.591	5.809	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1c1ccccc1	ZINC000229867605	570041639	/nfs/dbraw/zinc/04/16/39/570041639.db2.gz	YAGSEIQCOXLKEW-ISJGIBHGSA-N	0	3	497.532	5.374	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000229909089	570042213	/nfs/dbraw/zinc/04/22/13/570042213.db2.gz	SRLUQNQQGCXAOS-ISJGIBHGSA-N	0	3	499.910	5.453	50	5		JKBAHN
Cc1ccccc1[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C	ZINC000248123950	570074693	/nfs/dbraw/zinc/07/46/93/570074693.db2.gz	ZAJFJTRMBWJPSW-RPLLCQBOSA-N	0	3	489.591	5.809	50	5		JKBAHN
CC(C)CN(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000248142620	570075366	/nfs/dbraw/zinc/07/53/66/570075366.db2.gz	CJYKODOJDRSYCG-UPVQGACJSA-N	0	3	455.574	5.090	50	5		JKBAHN
Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc([N+](=O)[O-])c1)N(c1nnc(CC(C)C)s1)C3=O	ZINC000001876599	194151686	/nfs/dbraw/zinc/15/16/86/194151686.db2.gz	WWYVWJQSSJBKNE-NRFANRHFSA-N	0	3	490.541	5.118	50	5		JKBAHN
COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1c3ccccc3cc3ccccc31)CC2	ZINC000002907868	523040804	/nfs/dbraw/zinc/04/08/04/523040804.db2.gz	ADOHUMAYDWBRFV-JGCGQSQUSA-N	0	3	494.034	7.811	50	5		JKBAHN
COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CN(C(C)=O)C2CCCCC2)c1	ZINC000034754861	524181526	/nfs/dbraw/zinc/18/15/26/524181526.db2.gz	OPDPTJWOXORRGO-WNCULLNHSA-N	0	3	465.594	5.000	50	5		JKBAHN
CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000002200190	554090776	/nfs/dbraw/zinc/09/07/76/554090776.db2.gz	ZNPGFCVNFQZNJI-JOCHJYFZSA-N	0	3	499.504	5.459	50	5		JKBAHN
CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000002202344	554091600	/nfs/dbraw/zinc/09/16/00/554091600.db2.gz	GFGBGRBYGPTNGI-QFIPXVFZSA-N	0	3	483.505	5.623	50	5		JKBAHN
CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000002202346	554091681	/nfs/dbraw/zinc/09/16/81/554091681.db2.gz	GFGBGRBYGPTNGI-JOCHJYFZSA-N	0	3	483.505	5.623	50	5		JKBAHN
CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000002212957	554096354	/nfs/dbraw/zinc/09/63/54/554096354.db2.gz	YHWJLUODTSRMQG-HSZRJFAPSA-N	0	3	497.532	6.184	50	5		JKBAHN
Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)sc1C	ZINC000008827412	554717274	/nfs/dbraw/zinc/71/72/74/554717274.db2.gz	QRIVLAPSVABSSS-GOSISDBHSA-N	0	3	467.890	5.178	50	5		JKBAHN
CC(C)(C)c1ccc2[nH]c3c(cc(NCCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c34)oc2c1	ZINC000009013982	554865188	/nfs/dbraw/zinc/86/51/88/554865188.db2.gz	ZLNOYHSWFOTECA-UHFFFAOYSA-N	0	3	495.623	6.136	50	5		JKBAHN
Cc1cccc2oc3cc(NCCCN4CCCC(C)(C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12	ZINC000009089661	554890467	/nfs/dbraw/zinc/89/04/67/554890467.db2.gz	UHTLFQHHLVCBTA-UHFFFAOYSA-N	0	3	495.623	6.173	50	5		JKBAHN
COc1ccc(Nc2c3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3nc3c2CCCC3)cc1OC	ZINC000020322070	555770772	/nfs/dbraw/zinc/77/07/72/555770772.db2.gz	KZGZJBNLEKYEGL-UHFFFAOYSA-N	0	3	498.539	6.035	50	5		JKBAHN
COc1ccc(Nc2c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3nc3c2CCCC3)cc1OC	ZINC000020322075	555770874	/nfs/dbraw/zinc/77/08/74/555770874.db2.gz	VYYSRXABVZFAFW-UHFFFAOYSA-N	0	3	498.539	6.035	50	5		JKBAHN
O=C1c2oc3ccccc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1nc2ccccc2s1	ZINC000011614329	555790684	/nfs/dbraw/zinc/79/06/84/555790684.db2.gz	FYNSJPUCSWZTHT-HXUWFJFHSA-N	0	3	455.451	5.061	50	5		JKBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000016037207	556120009	/nfs/dbraw/zinc/12/00/09/556120009.db2.gz	QDIXKEGDBTYJGN-CPPMQADQSA-N	0	3	490.943	5.253	50	5		JKBAHN
CC(C)CN(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1	ZINC000034699029	569648150	/nfs/dbraw/zinc/64/81/50/569648150.db2.gz	HDSJAUZSABQDCL-XNMGPUDCSA-N	0	3	489.591	5.748	50	5		JKBAHN
CC(C)CN(C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F	ZINC000034698972	569648317	/nfs/dbraw/zinc/64/83/17/569648317.db2.gz	FCOWCWJXBTZBIY-RPLLCQBOSA-N	0	3	489.591	5.748	50	5		JKBAHN
CC(C)CN(C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740463	569655277	/nfs/dbraw/zinc/65/52/77/569655277.db2.gz	HXSNRJVTBZZWJU-RCZVLFRGSA-N	0	3	455.574	5.090	50	5		JKBAHN
COc1cccc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]2CN(C(C)=O)C2CCCCC2)c1	ZINC000034754864	569655676	/nfs/dbraw/zinc/65/56/76/569655676.db2.gz	XCWJSSOEWHBWBO-ZEQKJWHPSA-N	0	3	465.594	5.000	50	5		JKBAHN
CCc1cccc2c([C@@H](CC(=O)N(CCN(C)C)Cc3ccccc3)c3cccc([N+](=O)[O-])c3)c[nH]c21	ZINC000035908187	569723728	/nfs/dbraw/zinc/72/37/28/569723728.db2.gz	YRBIFVHBJNRDEX-MHZLTWQESA-N	0	3	498.627	5.751	50	5		JKBAHN
O=C(c1ccc(Br)cc1)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21	ZINC000229950549	570042650	/nfs/dbraw/zinc/04/26/50/570042650.db2.gz	NVSRYIFVBUTHEE-YCAMKHIRSA-N	0	3	475.342	5.345	50	5		JKBAHN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])[C@@]4(Cl)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000257348784	570152552	/nfs/dbraw/zinc/15/25/52/570152552.db2.gz	IUOUNLSFGGCHFC-AXKQTBINSA-N	0	3	466.106	7.293	50	5		JKBAHN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC([N+](=O)[O-])[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000257348879	570152614	/nfs/dbraw/zinc/15/26/14/570152614.db2.gz	JQQAXXNZGKFEGG-DNKIUXKZSA-N	0	3	468.122	7.085	50	5		JKBAHN
CN(C)CCCNc1nn2c(=O)c3c(-c4ccc(Cl)cc4)csc3nc2c2ccccc12	ZINC000001803300	194143201	/nfs/dbraw/zinc/14/32/01/194143201.db2.gz	KVJFSCNNYXVMCP-UHFFFAOYSA-N	0	3	463.994	5.141	50	5		JKBAHN
CCCCN[C@@H](c1sc2nc(C)cc(C)c2c1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000012420147	520696612	/nfs/dbraw/zinc/69/66/12/520696612.db2.gz	GTRYXZDJZOWIHS-HSZRJFAPSA-N	0	3	488.613	6.553	50	5		JKBAHN
CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000002200188	554090771	/nfs/dbraw/zinc/09/07/71/554090771.db2.gz	ZNPGFCVNFQZNJI-QFIPXVFZSA-N	0	3	499.504	5.459	50	5		JKBAHN
Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000002237205	554108190	/nfs/dbraw/zinc/10/81/90/554108190.db2.gz	WOTGECRIIBEOCZ-OAQYLSRUSA-N	0	3	469.478	5.369	50	5		JKBAHN
COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000002342659	554156620	/nfs/dbraw/zinc/15/66/20/554156620.db2.gz	WITLXZBADUSDOV-NRFANRHFSA-N	0	3	485.477	5.069	50	5		JKBAHN
Cc1cccc2oc3cc(NCCCN4CCC[C@@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12	ZINC000008741374	554643693	/nfs/dbraw/zinc/64/36/93/554643693.db2.gz	YMVMKWRGNSCKJJ-GOSISDBHSA-N	0	3	481.596	5.783	50	5		JKBAHN
CC[C@@H]1CCCCN1CCCNc1cc2oc3cccc(C)c3[nH]c2c2c(=O)c3ccccc3c(=O)c12	ZINC000008744536	554647781	/nfs/dbraw/zinc/64/77/81/554647781.db2.gz	CIIZMYVFZUJLLF-HXUWFJFHSA-N	0	3	495.623	6.316	50	5		JKBAHN
C[C@@H]1CCCCN1CCCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12	ZINC000008914622	554807634	/nfs/dbraw/zinc/80/76/34/554807634.db2.gz	PVQJLDHFAFIYFX-GOSISDBHSA-N	0	3	467.569	5.617	50	5		JKBAHN
Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1	ZINC000008969882	554843619	/nfs/dbraw/zinc/84/36/19/554843619.db2.gz	LJGHXTRSZYJMNR-QGZVFWFLSA-N	0	3	472.240	5.054	50	5		JKBAHN
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCCc1c[nH]c2ccccc12)c1ccccc1	ZINC000012549702	556030001	/nfs/dbraw/zinc/03/00/01/556030001.db2.gz	QWEMDPHEGOJSJO-HSZRJFAPSA-N	0	3	493.361	5.351	50	5		JKBAHN
O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21	ZINC000033914366	569637436	/nfs/dbraw/zinc/63/74/36/569637436.db2.gz	TWHRUEBSETZMFV-YCAMKHIRSA-N	0	3	475.342	5.345	50	5		JKBAHN
O=C(C[C@@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(Cl)c1)NCCN1CCCC1	ZINC000037379703	569784704	/nfs/dbraw/zinc/78/47/04/569784704.db2.gz	KYQRLHPRLNMKKE-QGZVFWFLSA-N	0	3	475.376	5.117	50	5		JKBAHN
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102752881	569821142	/nfs/dbraw/zinc/82/11/42/569821142.db2.gz	TZGJHJKWADXIOC-TWJOJJKGSA-N	0	3	479.492	5.108	50	5		JKBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@H]3C2=O)c(C)c1	ZINC000102766476	569823048	/nfs/dbraw/zinc/82/30/48/569823048.db2.gz	XRNUNXKWWYCCAH-XPWALMASSA-N	0	3	495.894	5.055	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1	ZINC000137951739	569865497	/nfs/dbraw/zinc/86/54/97/569865497.db2.gz	JRARFLXUKCVKRZ-GMQQYTKMSA-N	0	3	491.503	5.313	50	5		JKBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(-c2ccccc2)c1	ZINC000229916293	570042258	/nfs/dbraw/zinc/04/22/58/570042258.db2.gz	JRARFLXUKCVKRZ-KWXIBIRDSA-N	0	3	491.503	5.313	50	5		JKBAHN
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2c(F)cccc2Cl)c(C)c1	ZINC000229951647	570042688	/nfs/dbraw/zinc/04/26/88/570042688.db2.gz	XRNUNXKWWYCCAH-YTFSRNRJSA-N	0	3	495.894	5.055	50	5		JKBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c(C)c1	ZINC000229951647	570042689	/nfs/dbraw/zinc/04/26/89/570042689.db2.gz	XRNUNXKWWYCCAH-YTFSRNRJSA-N	0	3	495.894	5.055	50	5		JKBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000245311680	570063580	/nfs/dbraw/zinc/06/35/80/570063580.db2.gz	QDIXKEGDBTYJGN-DTGGKOQTSA-N	0	3	490.943	5.253	50	5		JKBAHN
CC(C)CN(C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000245327033	570065116	/nfs/dbraw/zinc/06/51/16/570065116.db2.gz	HXSNRJVTBZZWJU-DHLKQENFSA-N	0	3	455.574	5.090	50	5		JKBAHN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000248085240	570073728	/nfs/dbraw/zinc/07/37/28/570073728.db2.gz	WGCKGYUFBBLHEK-XDZVQPMWSA-N	0	3	473.960	5.302	50	5		JKBAHN
Cc1ccc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1	ZINC000248122046	570074654	/nfs/dbraw/zinc/07/46/54/570074654.db2.gz	YCWQJWMZRUIMCE-SVBPBHIXSA-N	0	3	486.616	5.199	50	5		JKBAHN