smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCC(C)CC2)c1[O-]	ZINC000002287572	209355331	/nfs/dbraw/zinc/35/53/31/209355331.db2.gz	OYYDSUCACYFBFM-UHFFFAOYSA-N	-1	3	398.528	4.725	50	10		GJCAHM
COc1cccc2c1O[C@H](c1ccc(F)cc1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000006721721	204194560	/nfs/dbraw/zinc/19/45/60/204194560.db2.gz	NAACHQHLZYGKBJ-AUSIDOKSSA-N	-1	3	390.414	4.782	50	10		GJCAHM
O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(CNCc3ccncc3)c2o1	ZINC000020567568	210347971	/nfs/dbraw/zinc/34/79/71/210347971.db2.gz	IFBUGLCJOQXGJD-UHFFFAOYSA-N	-1	3	392.842	4.504	50	10		GJCAHM
COc1cccc(Oc2coc3c(ccc([O-])c3CN3CCC[C@H](C)C3)c2=O)c1	ZINC000020518592	210343088	/nfs/dbraw/zinc/34/30/88/210343088.db2.gz	QNZOGZCTVUHVJK-HNNXBMFYSA-N	-1	3	395.455	4.531	50	10		GJCAHM
COc1ccccc1Oc1coc2c(ccc([O-])c2CN2CCC[C@@H](C)C2)c1=O	ZINC000020390863	570254063	/nfs/dbraw/zinc/25/40/63/570254063.db2.gz	KZVGKNAVBHUTEK-OAHLLOKOSA-N	-1	3	395.455	4.531	50	10	biogenic	GJCAHM
COc1ccccc1[C@H](NC(=O)C1CCCCC1)c1ccc2cccnc2c1[O-]	ZINC000000869244	570501681	/nfs/dbraw/zinc/50/16/81/570501681.db2.gz	IYNFWIUVRYBAEN-QFIPXVFZSA-N	-1	3	390.483	4.735	50	10		GJCAHM
COc1cccc(Oc2coc3c(ccc([O-])c3CN3CCCC[C@H]3C)c2=O)c1	ZINC000005219026	570514026	/nfs/dbraw/zinc/51/40/26/570514026.db2.gz	NKOSXXUTYNCMTD-OAHLLOKOSA-N	-1	3	395.455	4.674	50	10	biogenic	GJCAHM
COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000169681538	570602085	/nfs/dbraw/zinc/60/20/85/570602085.db2.gz	DIFXVNPYNFOGAX-HRAATJIYSA-N	-1	3	378.453	4.705	50	10		GJCAHM
COC(=O)c1cc2ccccc2c(CN(C)Cc2nc3ccccc3s2)c1[O-]	ZINC000012787594	570712884	/nfs/dbraw/zinc/71/28/84/570712884.db2.gz	DYGOPIKAIYESMM-UHFFFAOYSA-N	-1	3	392.480	4.574	50	10		GJCAHM
COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[O-]	ZINC000015016190	570871777	/nfs/dbraw/zinc/87/17/77/570871777.db2.gz	RYPCGUFJRBGVJA-IIBYNOLFSA-N	-1	3	378.453	4.705	50	10		GJCAHM
COc1ccc([O-])c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1	ZINC000015016182	210144085	/nfs/dbraw/zinc/14/40/85/210144085.db2.gz	RBUBSYQAYDNEIB-DYESRHJHSA-N	-1	3	378.453	4.705	50	10		GJCAHM
CCCCC(=O)N[C@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000002812833	209387847	/nfs/dbraw/zinc/38/78/47/209387847.db2.gz	PZIGIJXIFUBGOH-HXUWFJFHSA-N	-1	3	398.890	4.998	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccccn1	ZINC000010215328	209321132	/nfs/dbraw/zinc/32/11/32/209321132.db2.gz	KEAVQKQEZPAXGU-NQIIRXRSSA-N	-1	3	377.831	4.683	50	10		GJCAHM
Cc1ccc(N=Cc2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]c2-c2ccccc2)cc1	ZINC000004706810	204067189	/nfs/dbraw/zinc/06/71/89/204067189.db2.gz	YKUXWDNDGJYWIT-RCCKNPSSSA-N	-1	3	398.422	4.650	50	10		GJCAHM
COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1[O-]	ZINC000006930578	204224778	/nfs/dbraw/zinc/22/47/78/204224778.db2.gz	HRYHDIHPHFYPDI-VPTHRUTESA-N	-1	3	378.881	4.669	50	10		GJCAHM
O=C(CC[C@H]1CCCO1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048678326	205123454	/nfs/dbraw/zinc/12/34/54/205123454.db2.gz	YQAGEZAMFZVSAE-NTKDMRAZSA-N	-1	3	375.468	4.710	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccccn1	ZINC000010215222	221098497	/nfs/dbraw/zinc/09/84/97/221098497.db2.gz	MYCVCSHANFGYPJ-GHTZIAJQSA-N	-1	3	377.831	4.683	50	10		GJCAHM
CC(=O)c1cc(F)cc(CN(CCc2ccccn2)Cc2ccc(F)cc2)c1[O-]	ZINC000072312084	570306380	/nfs/dbraw/zinc/30/63/80/570306380.db2.gz	RRAKYNJKVZUVID-UHFFFAOYSA-N	-1	3	396.437	4.513	50	10		GJCAHM
COc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccc(C)cc2)cc1	ZINC000005252447	570529593	/nfs/dbraw/zinc/52/95/93/570529593.db2.gz	ITENUEVJUQVNBK-QFIPXVFZSA-N	-1	3	386.451	4.701	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccncc1	ZINC000006721645	570550400	/nfs/dbraw/zinc/55/04/00/570550400.db2.gz	IYHBKSIFFHRMLY-RXVVDRJESA-N	-1	3	377.831	4.683	50	10		GJCAHM
Cc1oc2c(ccc([O-])c2CN2CCCC2)c(=O)c1-c1nc2ccccc2s1	ZINC000002667133	209229660	/nfs/dbraw/zinc/22/96/60/209229660.db2.gz	AQRVLANKVSZHSJ-UHFFFAOYSA-N	-1	3	392.480	4.680	50	10	biogenic	GJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccncc1	ZINC000006721634	204194168	/nfs/dbraw/zinc/19/41/68/204194168.db2.gz	KMGMZDOWWQGNPC-WIYYLYMNSA-N	-1	3	377.831	4.683	50	10		GJCAHM
COc1cccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3ccccc3[O-])C2)c1	ZINC000053363372	205136957	/nfs/dbraw/zinc/13/69/57/205136957.db2.gz	OXDFTLCPJVXGBN-GGAORHGYSA-N	-1	3	376.431	4.762	50	10		GJCAHM
CCOc1cc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])ccc1O	ZINC000019842992	520781106	/nfs/dbraw/zinc/78/11/06/520781106.db2.gz	HTVCMQHJWJYEJU-NRFANRHFSA-N	-1	3	387.439	4.641	50	10		GJCAHM
O=C(N[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000000855828	570226869	/nfs/dbraw/zinc/22/68/69/570226869.db2.gz	BGGZYWOTOAUQIO-HSZRJFAPSA-N	-1	3	398.418	4.973	50	10		GJCAHM
O=C(COc1ccccc1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000943242	570230837	/nfs/dbraw/zinc/23/08/37/570230837.db2.gz	BXYRYLJIIOSAOP-RUZDIDTESA-N	-1	3	383.447	4.830	50	10		GJCAHM
CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1[O-])Nc1ccccc1-2	ZINC000002057033	570272810	/nfs/dbraw/zinc/27/28/10/570272810.db2.gz	WDGGLTNSKRCZLU-SFHVURJKSA-N	-1	3	380.473	4.640	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cccnc1	ZINC000006721647	570550289	/nfs/dbraw/zinc/55/02/89/570550289.db2.gz	JBHKJBUTZBUJDZ-RXVVDRJESA-N	-1	3	377.831	4.683	50	10		GJCAHM
[O-]c1ccc(Br)cc1CNc1ccc(Br)cc1F	ZINC000044836228	570634094	/nfs/dbraw/zinc/63/40/94/570634094.db2.gz	SPLSGNVEUKGZRW-UHFFFAOYSA-N	-1	3	375.035	4.668	50	10		GJCAHM
COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)c([O-])c1	ZINC000001235356	209317713	/nfs/dbraw/zinc/31/77/13/209317713.db2.gz	BTRVDIXOMHPPBI-JOCHJYFZSA-N	-1	3	386.451	4.701	50	10		GJCAHM
O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2[O-])N1c1ccc2c(c1)OCO2	ZINC000007885100	204253965	/nfs/dbraw/zinc/25/39/65/204253965.db2.gz	JKPKFZXQKGXVFI-HXUWFJFHSA-N	-1	3	394.814	4.545	50	10		GJCAHM
CCOC(=O)c1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2[O-])cc1	ZINC000095912906	211282616	/nfs/dbraw/zinc/28/26/16/211282616.db2.gz	RMGPQZGEQNZXMS-NRFANRHFSA-N	-1	3	399.450	4.714	50	10		GJCAHM
CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869283	570227773	/nfs/dbraw/zinc/22/77/73/570227773.db2.gz	LINXHMFDDAUTFG-QGZVFWFLSA-N	-1	3	375.255	4.863	50	10		GJCAHM
[O-]c1c([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)ccc2cccnc21	ZINC000021486248	570291577	/nfs/dbraw/zinc/29/15/77/570291577.db2.gz	BMBNTQYGBGSDPL-LJQANCHMSA-N	-1	3	389.282	4.669	50	10		GJCAHM
COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)cc(Cl)c1[O-]	ZINC000013915507	570902908	/nfs/dbraw/zinc/90/29/08/570902908.db2.gz	RCKDYYQKEYUSNA-GHXNOFRVSA-N	-1	3	377.227	4.514	50	10		GJCAHM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Br)cc1	ZINC000013282660	210056576	/nfs/dbraw/zinc/05/65/76/210056576.db2.gz	GBAJYLXGOHSYEU-YBEGLDIGSA-N	-1	3	390.668	4.821	50	10		GJCAHM
COc1ccc([O-])c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1	ZINC000001007323	209288848	/nfs/dbraw/zinc/28/88/48/209288848.db2.gz	RBUBSYQAYDNEIB-UTKZUKDTSA-N	-1	3	378.453	4.705	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccncc1	ZINC000006721646	204194286	/nfs/dbraw/zinc/19/42/86/204194286.db2.gz	IYHBKSIFFHRMLY-NQIIRXRSSA-N	-1	3	377.831	4.683	50	10		GJCAHM
COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1[O-]	ZINC000006930574	204225670	/nfs/dbraw/zinc/22/56/70/204225670.db2.gz	HRYHDIHPHFYPDI-BCTVWOGZSA-N	-1	3	378.881	4.669	50	10		GJCAHM
COc1cccc2c1O[C@H](c1ccccc1F)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000006721729	570550417	/nfs/dbraw/zinc/55/04/17/570550417.db2.gz	QJEYNWDOXNZLHL-AUSIDOKSSA-N	-1	3	390.414	4.782	50	10		GJCAHM
CCCCOC(=O)c1ccc(NCc2cc(Br)ccc2[O-])cc1	ZINC000044836177	570634006	/nfs/dbraw/zinc/63/40/06/570634006.db2.gz	NKKMGZWTAODULZ-UHFFFAOYSA-N	-1	3	378.266	4.724	50	10		GJCAHM
O=[N+]([O-])c1ccc([C@@H](Nc2nccs2)c2ccc3cccnc3c2[O-])cc1	ZINC000001004567	570745822	/nfs/dbraw/zinc/74/58/22/570745822.db2.gz	VBMBLYPJQKXYQD-MRXNPFEDSA-N	-1	3	378.413	4.507	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccccn1	ZINC000102907284	570871050	/nfs/dbraw/zinc/87/10/50/570871050.db2.gz	MYCVCSHANFGYPJ-NQIIRXRSSA-N	-1	3	377.831	4.683	50	10		GJCAHM
CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)cc(Cl)c1[O-]	ZINC000013914868	570902870	/nfs/dbraw/zinc/90/28/70/570902870.db2.gz	IOQAFNONXFOGSU-JYRVWZFOSA-N	-1	3	391.254	4.904	50	10		GJCAHM
CC(C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801073	570952660	/nfs/dbraw/zinc/95/26/60/570952660.db2.gz	FZZKXYZKZSGQJS-IBGZPJMESA-N	-1	3	397.906	4.521	50	10		GJCAHM
Cc1ccnc(N[C@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2[O-])c1	ZINC000015015680	210143184	/nfs/dbraw/zinc/14/31/84/210143184.db2.gz	QDORQCOMNULDDO-OAQYLSRUSA-N	-1	3	385.423	4.574	50	10		GJCAHM
CCCCSc1nnc2c(n1)O[C@H](c1ccccc1[O-])Nc1ccccc1-2	ZINC000002057032	209344446	/nfs/dbraw/zinc/34/44/46/209344446.db2.gz	WDGGLTNSKRCZLU-GOSISDBHSA-N	-1	3	380.473	4.640	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1cccnc1	ZINC000006721635	204194429	/nfs/dbraw/zinc/19/44/29/204194429.db2.gz	MSENSSDQASDNBY-GHTZIAJQSA-N	-1	3	377.831	4.683	50	10		GJCAHM
[O-]c1c([C@@H](Nc2ncccc2O)c2ccc(Cl)cc2)ccc2cccnc12	ZINC000049757089	205130474	/nfs/dbraw/zinc/13/04/74/205130474.db2.gz	KKYHNYRUBSYTCZ-SFHVURJKSA-N	-1	3	377.831	4.896	50	10	in-vitro	GJCAHM
COc1ccc(N=Nc2nc[n-]c2C(=O)Nc2ccc(Cl)cc2)c(OC)c1	ZINC000006420293	206219446	/nfs/dbraw/zinc/21/94/46/206219446.db2.gz	POXSZBYGWOVRFJ-WCWDXBQESA-N	-1	3	385.811	4.748	50	10		GJCAHM
COc1ccc(N=Nc2[n-]cnc2C(=O)Nc2ccc(Cl)cc2)c(OC)c1	ZINC000006420293	206219450	/nfs/dbraw/zinc/21/94/50/206219450.db2.gz	POXSZBYGWOVRFJ-WCWDXBQESA-N	-1	3	385.811	4.748	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccc(O)cc1	ZINC000006721632	570550427	/nfs/dbraw/zinc/55/04/27/570550427.db2.gz	PUNIZFWMYQLHJN-DENIHFKCSA-N	-1	3	392.842	4.994	50	10		GJCAHM
Cc1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2[O-])cc1	ZINC000000855588	209272730	/nfs/dbraw/zinc/27/27/30/209272730.db2.gz	SGMUTMBUJAZEJZ-HSZRJFAPSA-N	-1	3	382.463	4.697	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccc(F)cc1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000006721722	204194569	/nfs/dbraw/zinc/19/45/69/204194569.db2.gz	NAACHQHLZYGKBJ-XXBNENTESA-N	-1	3	390.414	4.782	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccncc1	ZINC000006721633	204194836	/nfs/dbraw/zinc/19/48/36/204194836.db2.gz	KMGMZDOWWQGNPC-GHTZIAJQSA-N	-1	3	377.831	4.683	50	10		GJCAHM
COc1cc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])ccc1O	ZINC000019843023	210302327	/nfs/dbraw/zinc/30/23/27/210302327.db2.gz	HKVBLSRMZHSZFQ-NRFANRHFSA-N	-1	3	387.439	4.560	50	10		GJCAHM
COc1ccccc1-c1coc2c(ccc([O-])c2CN2[C@@H](C)CCC[C@@H]2C)c1=O	ZINC000019790389	210296056	/nfs/dbraw/zinc/29/60/56/210296056.db2.gz	HITBXRASXIBMQP-HOTGVXAUSA-N	-1	3	393.483	4.937	50	10	biogenic	GJCAHM
CC(C)CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21	ZINC000000801032	570223869	/nfs/dbraw/zinc/22/38/69/570223869.db2.gz	ULMIGBBHDBXDDR-QFIPXVFZSA-N	-1	3	378.428	4.705	50	10		GJCAHM
COc1cccc(Oc2coc3c(ccc([O-])c3CN3CCC[C@@H](C)C3)c2=O)c1	ZINC000020518590	570264898	/nfs/dbraw/zinc/26/48/98/570264898.db2.gz	QNZOGZCTVUHVJK-OAHLLOKOSA-N	-1	3	395.455	4.531	50	10		GJCAHM
COc1ccccc1[C@H]1CN(Cc2c([O-])cccc2OC)Cc2ccccc2O1	ZINC000020910735	570283996	/nfs/dbraw/zinc/28/39/96/570283996.db2.gz	DLAVEMMBYVWVFT-XMMPIXPASA-N	-1	3	391.467	4.545	50	10		GJCAHM
CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801071	570341709	/nfs/dbraw/zinc/34/17/09/570341709.db2.gz	LHHBXTYLAYAKHI-FQEVSTJZSA-N	-1	3	397.906	4.666	50	10		GJCAHM
COc1cc([O-])c(CN2C[C@@H](C)C[C@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12	ZINC000011865265	570440385	/nfs/dbraw/zinc/44/03/85/570440385.db2.gz	QLPKJMOJXSWDEW-HOTGVXAUSA-N	-1	3	393.483	4.652	50	10	biogenic	GJCAHM
COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000169681537	570601858	/nfs/dbraw/zinc/60/18/58/570601858.db2.gz	DIFXVNPYNFOGAX-KKSFZXQISA-N	-1	3	378.453	4.705	50	10		GJCAHM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc(Br)c1	ZINC000005518585	570622631	/nfs/dbraw/zinc/62/26/31/570622631.db2.gz	DZAJKIGXENCGQH-WOJGMQOQSA-N	-1	3	384.277	4.784	50	10		GJCAHM
O=[N+]([O-])c1cccc([C@@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2[O-])c1	ZINC000036347326	570628753	/nfs/dbraw/zinc/62/87/53/570628753.db2.gz	NQSJOIHMGZSYPS-OAQYLSRUSA-N	-1	3	397.862	4.751	50	10		GJCAHM
O=C(N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1[O-])c1cccnc1	ZINC000017360752	570704908	/nfs/dbraw/zinc/70/49/08/570704908.db2.gz	QDYVWPBPZWJQMG-IBGZPJMESA-N	-1	3	389.842	4.508	50	10		GJCAHM
COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1[O-]	ZINC000006932676	570710632	/nfs/dbraw/zinc/71/06/32/570710632.db2.gz	HRYHDIHPHFYPDI-PWJLMRLQSA-N	-1	3	378.881	4.669	50	10		GJCAHM
Cc1cccnc1N[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1[O-]	ZINC000000947297	570734645	/nfs/dbraw/zinc/73/46/45/570734645.db2.gz	WELXVIRRZWBNAN-LJQANCHMSA-N	-1	3	386.411	4.754	50	10		GJCAHM
Cc1nc2cc(N=Cc3c(C)[n-]n(-c4cccc5ccccc54)c3=O)ccc2[nH]1	ZINC000101128815	570815733	/nfs/dbraw/zinc/81/57/33/570815733.db2.gz	XTMMZHZXHRZASG-CPNJWEJPSA-N	-1	3	381.439	4.743	50	10		GJCAHM
Cc1nc2ccc(N=Cc3c(C)[n-]n(-c4cccc5ccccc54)c3=O)cc2[nH]1	ZINC000101128815	570815737	/nfs/dbraw/zinc/81/57/37/570815737.db2.gz	XTMMZHZXHRZASG-CPNJWEJPSA-N	-1	3	381.439	4.743	50	10		GJCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc4c(c3)OCO4)c([O-])c2n1	ZINC000018190334	570951201	/nfs/dbraw/zinc/95/12/01/570951201.db2.gz	SLGDNPHLIHHAMH-OAQYLSRUSA-N	-1	3	385.423	4.574	50	10		GJCAHM
O=C(CCc1ccccc1)N[C@H](c1cccs1)c1ccc2cccnc2c1[O-]	ZINC000000801028	209267139	/nfs/dbraw/zinc/26/71/39/209267139.db2.gz	WFKOFHFTIBUSFS-QFIPXVFZSA-N	-1	3	388.492	4.840	50	10		GJCAHM
CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869282	203860485	/nfs/dbraw/zinc/86/04/85/203860485.db2.gz	LINXHMFDDAUTFG-KRWDZBQOSA-N	-1	3	375.255	4.863	50	10		GJCAHM
Cc1noc(C)c1CC(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000010911795	204340800	/nfs/dbraw/zinc/34/08/00/204340800.db2.gz	OYLFCMVOGRERFI-XMMPIXPASA-N	-1	3	386.451	4.599	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc(O)cc1	ZINC000020070818	204700287	/nfs/dbraw/zinc/70/02/87/204700287.db2.gz	PIIYMPNFHFANSR-DENIHFKCSA-N	-1	3	392.842	4.994	50	10		GJCAHM
COc1ccc([C@H]2N=C(c3ccc(F)cc3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000080325048	205384146	/nfs/dbraw/zinc/38/41/46/205384146.db2.gz	ZEDFSBQGAYMBFW-GGAORHGYSA-N	-1	3	376.431	4.762	50	10		GJCAHM
COc1ccc([C@H]2N=C(c3ccc(F)cc3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000080325037	205384455	/nfs/dbraw/zinc/38/44/55/205384455.db2.gz	ZEDFSBQGAYMBFW-GMAHTHKFSA-N	-1	3	376.431	4.762	50	10		GJCAHM
O=c1c2ccc([O-])c(CN3CCCC3)c2oc(C(F)(F)F)c1-c1ccccc1	ZINC000019791536	570219330	/nfs/dbraw/zinc/21/93/30/570219330.db2.gz	JZDIJVJTSVUKFO-UHFFFAOYSA-N	-1	3	389.373	4.780	50	10	biogenic	GJCAHM
CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801072	570341774	/nfs/dbraw/zinc/34/17/74/570341774.db2.gz	LHHBXTYLAYAKHI-HXUWFJFHSA-N	-1	3	397.906	4.666	50	10		GJCAHM
CCCCC(=O)N[C@@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1[O-]	ZINC000004959832	570382074	/nfs/dbraw/zinc/38/20/74/570382074.db2.gz	BUMPAWLVAKLTNJ-FQEVSTJZSA-N	-1	3	398.890	4.998	50	10		GJCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc([N+](=O)[O-])c3)c([O-])c2n1	ZINC000004755286	570403246	/nfs/dbraw/zinc/40/32/46/570403246.db2.gz	HXCJXMCLDZTEQI-HXUWFJFHSA-N	-1	3	386.411	4.754	50	10		GJCAHM
COc1cccc(-c2ccc([O-])c(CN3CCc4c5ccccc5[nH]c4C3)c2)n1	ZINC000014886642	210129420	/nfs/dbraw/zinc/12/94/20/210129420.db2.gz	MVIOIZMUOYOCEM-UHFFFAOYSA-N	-1	3	385.467	4.502	50	10		GJCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(N(C)C)cc3)c([O-])c2n1	ZINC000001168763	209310691	/nfs/dbraw/zinc/31/06/91/209310691.db2.gz	RESWIUWBKBPTTM-JOCHJYFZSA-N	-1	3	384.483	4.911	50	10		GJCAHM
O=C(N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000000855827	209273642	/nfs/dbraw/zinc/27/36/42/209273642.db2.gz	BGGZYWOTOAUQIO-QHCPKHFHSA-N	-1	3	398.418	4.973	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1cccc(C)c1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000006721726	204194423	/nfs/dbraw/zinc/19/44/23/204194423.db2.gz	LCXVLUCQOIHBRG-RDPSFJRHSA-N	-1	3	386.451	4.952	50	10		GJCAHM
COc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053362966	205137327	/nfs/dbraw/zinc/13/73/27/205137327.db2.gz	XBGZCNYTTMYKJR-FYYLOGMGSA-N	-1	3	376.431	4.762	50	10		GJCAHM
COc1cccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3ccccc3[O-])C2)c1	ZINC000053363370	570312715	/nfs/dbraw/zinc/31/27/15/570312715.db2.gz	OXDFTLCPJVXGBN-JTHBVZDNSA-N	-1	3	376.431	4.762	50	10		GJCAHM
CCCC(=O)N[C@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801085	570341437	/nfs/dbraw/zinc/34/14/37/570341437.db2.gz	RVDHGGKEOWVTGO-LJQANCHMSA-N	-1	3	384.863	4.608	50	10		GJCAHM
CN(Cc1ccccc1)Cc1cc(Br)cc(Br)c1[O-]	ZINC000023281984	570353633	/nfs/dbraw/zinc/35/36/33/570353633.db2.gz	ANCCKQJNAMPMHL-UHFFFAOYSA-N	-1	3	385.099	4.549	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccncc1	ZINC000102907340	570871499	/nfs/dbraw/zinc/87/14/99/570871499.db2.gz	IYHBKSIFFHRMLY-GHTZIAJQSA-N	-1	3	377.831	4.683	50	10		GJCAHM
COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1O	ZINC000015016434	570871732	/nfs/dbraw/zinc/87/17/32/570871732.db2.gz	FCTHDIWMHUZDNV-NRFANRHFSA-N	-1	3	387.439	4.560	50	10		GJCAHM
Cc1ccnc(N[C@H](c2ccc3cccnc3c2[O-])c2ccccc2[N+](=O)[O-])c1	ZINC000001171698	209309971	/nfs/dbraw/zinc/30/99/71/209309971.db2.gz	LQKHZFASLJFUJQ-NRFANRHFSA-N	-1	3	386.411	4.754	50	10		GJCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3[N+](=O)[O-])c([O-])c2n1	ZINC000004151015	204028772	/nfs/dbraw/zinc/02/87/72/204028772.db2.gz	NGFANJMUYJCQEL-OAQYLSRUSA-N	-1	3	386.411	4.754	50	10		GJCAHM
COc1cccc2c1O[C@H](c1ccc(C)o1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000010215857	221098149	/nfs/dbraw/zinc/09/81/49/221098149.db2.gz	WGQAQINZRNBPFZ-HTAPYJJXSA-N	-1	3	376.412	4.545	50	10		GJCAHM
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccccc1[O-]	ZINC000005174099	570492537	/nfs/dbraw/zinc/49/25/37/570492537.db2.gz	KDKDRRKMEYAJLJ-NBVRZTHBSA-N	-1	3	384.391	4.772	50	10		GJCAHM
CCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1c([O-])ccc2ccccc21	ZINC000002870203	570535827	/nfs/dbraw/zinc/53/58/27/570535827.db2.gz	HELAODKXWJARJK-QHCPKHFHSA-N	-1	3	379.456	4.568	50	10	biogenic	GJCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc4c(c3)OCO4)c([O-])c2n1	ZINC000018190332	210215881	/nfs/dbraw/zinc/21/58/81/210215881.db2.gz	SLGDNPHLIHHAMH-NRFANRHFSA-N	-1	3	385.423	4.574	50	10		GJCAHM
CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000010215916	209320366	/nfs/dbraw/zinc/32/03/66/209320366.db2.gz	JRAKMLXXLKDSLP-VGOFRKELSA-N	-1	3	376.412	4.626	50	10		GJCAHM
CN(C)c1ccc(/C=C/c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)cc1	ZINC000004151066	204029014	/nfs/dbraw/zinc/02/90/14/204029014.db2.gz	YHALUMYXIPMSON-SAPNQHFASA-N	-1	3	382.467	4.876	50	10		GJCAHM
COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1cc(Cl)ccc1[O-]	ZINC000004678756	204063008	/nfs/dbraw/zinc/06/30/08/204063008.db2.gz	BXEXSJJBTJRMLZ-UHFFFAOYSA-N	-1	3	392.286	4.821	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc(O)cc1	ZINC000006721643	204194163	/nfs/dbraw/zinc/19/41/63/204194163.db2.gz	PIIYMPNFHFANSR-UGKGYDQZSA-N	-1	3	392.842	4.994	50	10		GJCAHM
COc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053364800	205137272	/nfs/dbraw/zinc/13/72/72/205137272.db2.gz	DGVHFEQHLWQJBM-FYYLOGMGSA-N	-1	3	376.431	4.762	50	10		GJCAHM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Br)cc1	ZINC000100024980	211381999	/nfs/dbraw/zinc/38/19/99/211381999.db2.gz	KQFVEOPVRIHXDO-MHWRWJLKSA-N	-1	3	390.668	4.821	50	10		GJCAHM
Cc1cc(C)cc(NC(=O)[C@H]2CC23CCN(Cc2cc(Cl)ccc2[O-])CC3)c1	ZINC000011968859	570596215	/nfs/dbraw/zinc/59/62/15/570596215.db2.gz	XRRDRQDEKCFARW-HXUWFJFHSA-N	-1	3	398.934	4.903	50	10		GJCAHM
COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)c([O-])c1	ZINC000001235357	570935406	/nfs/dbraw/zinc/93/54/06/570935406.db2.gz	BTRVDIXOMHPPBI-QFIPXVFZSA-N	-1	3	386.451	4.701	50	10		GJCAHM
CC(=Nc1cccc(Cl)c1C)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000018250798	210218471	/nfs/dbraw/zinc/21/84/71/210218471.db2.gz	CWHZNXJLXZQUES-LDADJPATSA-N	-1	3	384.823	4.665	50	10		GJCAHM
CC(C)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801075	209266045	/nfs/dbraw/zinc/26/60/45/209266045.db2.gz	FZZKXYZKZSGQJS-LJQANCHMSA-N	-1	3	397.906	4.521	50	10		GJCAHM
CCOc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc(Cl)c1[O-]	ZINC000000668180	209256561	/nfs/dbraw/zinc/25/65/61/209256561.db2.gz	IOQAFNONXFOGSU-MDWZMJQESA-N	-1	3	391.254	4.904	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000006721816	204194628	/nfs/dbraw/zinc/19/46/28/204194628.db2.gz	DIFXVNPYNFOGAX-IERDGZPVSA-N	-1	3	378.453	4.705	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21	ZINC000227486818	206102127	/nfs/dbraw/zinc/10/21/27/206102127.db2.gz	NMKZSRFCGHBDPK-KKSFZXQISA-N	-1	3	396.830	4.890	50	10		GJCAHM
COc1ccc([C@@H]2N=C(c3ccc(F)cc3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000080325042	211157873	/nfs/dbraw/zinc/15/78/73/211157873.db2.gz	ZEDFSBQGAYMBFW-JTHBVZDNSA-N	-1	3	376.431	4.762	50	10		GJCAHM
[O-]c1c([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)ccc2cccnc21	ZINC000021486246	210383055	/nfs/dbraw/zinc/38/30/55/210383055.db2.gz	BMBNTQYGBGSDPL-IBGZPJMESA-N	-1	3	389.282	4.669	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccccn1	ZINC000010215224	221098473	/nfs/dbraw/zinc/09/84/73/221098473.db2.gz	MYCVCSHANFGYPJ-WIYYLYMNSA-N	-1	3	377.831	4.683	50	10		GJCAHM
O=[N+]([O-])c1cccc([C@@H](Nc2nccs2)c2ccc3cccnc3c2[O-])c1	ZINC000001463222	570230117	/nfs/dbraw/zinc/23/01/17/570230117.db2.gz	SBJMCERUBAHADF-MRXNPFEDSA-N	-1	3	378.413	4.507	50	10		GJCAHM
COc1cccc2c1O[C@H](c1cccc(C)c1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000006721725	570550336	/nfs/dbraw/zinc/55/03/36/570550336.db2.gz	LCXVLUCQOIHBRG-GBXCKJPGSA-N	-1	3	386.451	4.952	50	10		GJCAHM
[O-]c1ccc(Cl)cc1CNc1ncc(Br)cc1Br	ZINC000018322509	570826819	/nfs/dbraw/zinc/82/68/19/570826819.db2.gz	SBGFBCFMFJCPNC-UHFFFAOYSA-N	-1	3	392.478	4.578	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1cccnc1	ZINC000102907277	570870884	/nfs/dbraw/zinc/87/08/84/570870884.db2.gz	MSENSSDQASDNBY-RXVVDRJESA-N	-1	3	377.831	4.683	50	10		GJCAHM
Cc1ccnc(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2[O-])c1	ZINC000015015679	210143626	/nfs/dbraw/zinc/14/36/26/210143626.db2.gz	QDORQCOMNULDDO-NRFANRHFSA-N	-1	3	385.423	4.574	50	10		GJCAHM
CCCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1c([O-])ccc2ccccc21	ZINC000002870341	209393419	/nfs/dbraw/zinc/39/34/19/209393419.db2.gz	BKSDMVNJYNJHPO-XMMPIXPASA-N	-1	3	393.483	4.958	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccccn1	ZINC000010215323	209321592	/nfs/dbraw/zinc/32/15/92/209321592.db2.gz	KEAVQKQEZPAXGU-RXVVDRJESA-N	-1	3	377.831	4.683	50	10		GJCAHM
O=C(COc1ccccc1)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000943241	209281675	/nfs/dbraw/zinc/28/16/75/209281675.db2.gz	BXYRYLJIIOSAOP-VWLOTQADSA-N	-1	3	383.447	4.830	50	10		GJCAHM
COc1ccc([O-])c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1	ZINC000000684590	209258929	/nfs/dbraw/zinc/25/89/29/209258929.db2.gz	RBUBSYQAYDNEIB-LAUBAEHRSA-N	-1	3	378.453	4.705	50	10		GJCAHM
COc1cc([O-])c(CN2C[C@H](C)C[C@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12	ZINC000011865266	203827685	/nfs/dbraw/zinc/82/76/85/203827685.db2.gz	QLPKJMOJXSWDEW-IYBDPMFKSA-N	-1	3	393.483	4.652	50	10	biogenic	GJCAHM
COc1ccc(Oc2coc3c(ccc([O-])c3CN3CCC[C@H](C)C3)c2=O)cc1	ZINC000005185287	204117842	/nfs/dbraw/zinc/11/78/42/204117842.db2.gz	WMLNZZILBDNROI-HNNXBMFYSA-N	-1	3	395.455	4.531	50	10		GJCAHM
O=C(CC[C@H]1CCCO1)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048678325	205124197	/nfs/dbraw/zinc/12/41/97/205124197.db2.gz	YQAGEZAMFZVSAE-DVECYGJZSA-N	-1	3	375.468	4.710	50	10		GJCAHM
COc1ccc([C@@H]2N=C(c3ccc(F)cc3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000080325053	211158529	/nfs/dbraw/zinc/15/85/29/211158529.db2.gz	ZEDFSBQGAYMBFW-FYYLOGMGSA-N	-1	3	376.431	4.762	50	10		GJCAHM
O=C(NCc1cccnc1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000042898919	210802646	/nfs/dbraw/zinc/80/26/46/210802646.db2.gz	IPJKJTUDHIKXKF-HSZRJFAPSA-N	-1	3	383.451	4.529	50	10		GJCAHM
Cc1ccnc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2[O-])c1	ZINC000002978255	570321634	/nfs/dbraw/zinc/32/16/34/570321634.db2.gz	CKWCYYXSFATAIE-FQEVSTJZSA-N	-1	3	386.411	4.754	50	10		GJCAHM
Cc1ccc([C@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2[O-])cc1	ZINC000004903390	570416690	/nfs/dbraw/zinc/41/66/90/570416690.db2.gz	SGMUTMBUJAZEJZ-QHCPKHFHSA-N	-1	3	382.463	4.697	50	10		GJCAHM
Cc1cccnc1N[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1[O-]	ZINC000000947296	570734707	/nfs/dbraw/zinc/73/47/07/570734707.db2.gz	WELXVIRRZWBNAN-IBGZPJMESA-N	-1	3	386.411	4.754	50	10		GJCAHM
Cn1c(-c2cccc(Br)c2)cnc1NCc1cc(Cl)ccc1[O-]	ZINC000004678210	570823813	/nfs/dbraw/zinc/82/38/13/570823813.db2.gz	NNQHBIMBBILUMZ-UHFFFAOYSA-N	-1	3	392.684	4.821	50	10		GJCAHM
Cc1ccnc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000002470366	209366470	/nfs/dbraw/zinc/36/64/70/209366470.db2.gz	XFTMHNBUYOONGV-QFIPXVFZSA-N	-1	3	384.483	4.911	50	10		GJCAHM
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCC[C@@H](C)C2)c1[O-]	ZINC000002277994	209354816	/nfs/dbraw/zinc/35/48/16/209354816.db2.gz	HFRVLQCUWFIUKP-CYBMUJFWSA-N	-1	3	398.528	4.725	50	10		GJCAHM
COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1[O-]	ZINC000006932677	204225117	/nfs/dbraw/zinc/22/51/17/204225117.db2.gz	HRYHDIHPHFYPDI-ZKANADHPSA-N	-1	3	378.881	4.669	50	10		GJCAHM
CC(C)CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21	ZINC000000801033	570223978	/nfs/dbraw/zinc/22/39/78/570223978.db2.gz	ULMIGBBHDBXDDR-JOCHJYFZSA-N	-1	3	378.428	4.705	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccncc1	ZINC000102907275	570870871	/nfs/dbraw/zinc/87/08/71/570870871.db2.gz	KMGMZDOWWQGNPC-NQIIRXRSSA-N	-1	3	377.831	4.683	50	10		GJCAHM
CCCCC(=O)N[C@@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000002812832	209388339	/nfs/dbraw/zinc/38/83/39/209388339.db2.gz	PZIGIJXIFUBGOH-FQEVSTJZSA-N	-1	3	398.890	4.998	50	10		GJCAHM
CC(C)CC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21	ZINC000000801036	209267174	/nfs/dbraw/zinc/26/71/74/209267174.db2.gz	LIURNHRZIXEXIT-QFIPXVFZSA-N	-1	3	378.428	4.705	50	10		GJCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc21	ZINC000020191867	209235090	/nfs/dbraw/zinc/23/50/90/209235090.db2.gz	QNUDGWBYBGYEGA-UHFFFAOYSA-N	-1	3	380.469	4.617	50	10		GJCAHM
COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCC[C@@H](C)C3)c2=O)cc1	ZINC000020411780	209234935	/nfs/dbraw/zinc/23/49/35/209234935.db2.gz	XLIOEUNETUEZEJ-OAHLLOKOSA-N	-1	3	393.483	4.715	50	10	biogenic	GJCAHM
Cc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000004729267	204069858	/nfs/dbraw/zinc/06/98/58/204069858.db2.gz	QCAOPKFFIRDREG-ICSRJNTNSA-N	-1	3	387.321	4.969	50	10		GJCAHM
Cc1cccc(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2[O-])n1	ZINC000005740603	204150521	/nfs/dbraw/zinc/15/05/21/204150521.db2.gz	NGWUXABAUGUHJZ-NRFANRHFSA-N	-1	3	385.423	4.574	50	10		GJCAHM
CCCc1cc(=O)oc2c(C)c([O-])c(CNCc3c(F)cccc3Cl)cc12	ZINC000006661458	204190636	/nfs/dbraw/zinc/19/06/36/204190636.db2.gz	GFWKHUDGMDFUMK-UHFFFAOYSA-N	-1	3	389.854	4.842	50	10		GJCAHM
CCOC(=O)c1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2[O-])cc1	ZINC000095912907	211282414	/nfs/dbraw/zinc/28/24/14/211282414.db2.gz	RMGPQZGEQNZXMS-OAQYLSRUSA-N	-1	3	399.450	4.714	50	10		GJCAHM
[O-]c1c([C@H](c2ccc(Br)cc2)N2CCCC2)ccc2cccnc21	ZINC000004871544	570352200	/nfs/dbraw/zinc/35/22/00/570352200.db2.gz	VMPFQVVBVXXCJQ-IBGZPJMESA-N	-1	3	383.289	4.888	50	10		GJCAHM
COc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1OC	ZINC000004139996	570359500	/nfs/dbraw/zinc/35/95/00/570359500.db2.gz	KVIWTXYWCVKZLF-NRFANRHFSA-N	-1	3	387.439	4.554	50	10		GJCAHM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(Br)cc1	ZINC000005442689	570594352	/nfs/dbraw/zinc/59/43/52/570594352.db2.gz	IXLYZWBGKKQAQA-GZTJUZNOSA-N	-1	3	384.277	4.784	50	10		GJCAHM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)c(Br)c2C)cc1	ZINC000000947562	570734753	/nfs/dbraw/zinc/73/47/53/570734753.db2.gz	ZPVDAIJZXCHODG-UHFFFAOYSA-N	-1	3	398.322	4.696	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccccn1	ZINC000102907281	570871006	/nfs/dbraw/zinc/87/10/06/570871006.db2.gz	MYCVCSHANFGYPJ-RXVVDRJESA-N	-1	3	377.831	4.683	50	10		GJCAHM
COc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)/C=C/c2ccccc2)cc1	ZINC000001270379	570951881	/nfs/dbraw/zinc/95/18/81/570951881.db2.gz	GGFNVLXOKBHUQT-LJJIPZOBSA-N	-1	3	398.462	4.792	50	10		GJCAHM
COc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN2CCC[C@@H](C)C2)c1=O	ZINC000020410406	209235752	/nfs/dbraw/zinc/23/57/52/209235752.db2.gz	ZSTKORZWCOWYNF-OAHLLOKOSA-N	-1	3	393.483	4.715	50	10	biogenic	GJCAHM
COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCCCCC3)c2=O)cc1	ZINC000020357623	209235042	/nfs/dbraw/zinc/23/50/42/209235042.db2.gz	MOGIXMSMXWDBAX-UHFFFAOYSA-N	-1	3	393.483	4.859	50	10	biogenic	GJCAHM
COc1cccc(Oc2c(C)oc3c(ccc([O-])c3CN3CCCCC3)c2=O)c1	ZINC000020393963	209233870	/nfs/dbraw/zinc/23/38/70/209233870.db2.gz	HWNYPCUJIBONFL-UHFFFAOYSA-N	-1	3	395.455	4.594	50	10	biogenic	GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1cccnc1	ZINC000006721648	204194338	/nfs/dbraw/zinc/19/43/38/204194338.db2.gz	JBHKJBUTZBUJDZ-NQIIRXRSSA-N	-1	3	377.831	4.683	50	10		GJCAHM
COc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])ccc1O	ZINC000019843022	522913655	/nfs/dbraw/zinc/91/36/55/522913655.db2.gz	HKVBLSRMZHSZFQ-OAQYLSRUSA-N	-1	3	387.439	4.560	50	10		GJCAHM
CCCC(=O)N[C@@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801080	570223881	/nfs/dbraw/zinc/22/38/81/570223881.db2.gz	AKOYFLRLPAVVCZ-IBGZPJMESA-N	-1	3	384.863	4.608	50	10		GJCAHM
COc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053362970	570312249	/nfs/dbraw/zinc/31/22/49/570312249.db2.gz	XBGZCNYTTMYKJR-GGAORHGYSA-N	-1	3	376.431	4.762	50	10		GJCAHM
[O-]c1ccc(Br)cc1C1=NN[C@@H](c2ccc(Cl)cc2Cl)C1	ZINC000005024190	570399002	/nfs/dbraw/zinc/39/90/02/570399002.db2.gz	GIROBGULPFKKCR-CYBMUJFWSA-N	-1	3	386.076	4.900	50	10		GJCAHM
Cc1cccc(N[C@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2[O-])n1	ZINC000005740606	570454676	/nfs/dbraw/zinc/45/46/76/570454676.db2.gz	NGWUXABAUGUHJZ-OAQYLSRUSA-N	-1	3	385.423	4.574	50	10		GJCAHM
Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3CN3CCCC3)c2=O)c1	ZINC000005182782	570496306	/nfs/dbraw/zinc/49/63/06/570496306.db2.gz	KDPCEMWCRNFGMP-UHFFFAOYSA-N	-1	3	379.456	4.812	50	10		GJCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc([N+](=O)[O-])cc3)c([O-])c2n1	ZINC000004755409	570540150	/nfs/dbraw/zinc/54/01/50/570540150.db2.gz	RPNDUXSAUMEQGW-FQEVSTJZSA-N	-1	3	386.411	4.754	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccc(C)cc1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000006721720	570550436	/nfs/dbraw/zinc/55/04/36/570550436.db2.gz	AHMKASKYPKWSJM-RDPSFJRHSA-N	-1	3	386.451	4.952	50	10		GJCAHM
COc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN2CCCC[C@H]2C)c1=O	ZINC000003653125	212145631	/nfs/dbraw/zinc/14/56/31/212145631.db2.gz	LEXIIBMSVNOCIL-OAHLLOKOSA-N	-1	3	393.483	4.857	50	10	biogenic	GJCAHM
[O-]c1ccc(Br)cc1C1=NN[C@H](c2ccc(Cl)cc2Cl)C1	ZINC000005024188	206292878	/nfs/dbraw/zinc/29/28/78/206292878.db2.gz	GIROBGULPFKKCR-ZDUSSCGKSA-N	-1	3	386.076	4.900	50	10		GJCAHM
COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCCC[C@@H]2C)c1=O	ZINC000019790387	206296743	/nfs/dbraw/zinc/29/67/43/206296743.db2.gz	ACICCXCUFOEWRG-HNNXBMFYSA-N	-1	3	379.456	4.549	50	10	biogenic	GJCAHM
CC(=O)N1N=C(c2cc(Cl)ccc2[O-])C[C@@H]1c1ccc(Br)cc1	ZINC000006262347	526685858	/nfs/dbraw/zinc/68/58/58/526685858.db2.gz	SSANDLNEFUUDLW-MRXNPFEDSA-N	-1	3	393.668	4.506	50	10		GJCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc([N+](=O)[O-])c3)c([O-])c2n1	ZINC000004755287	570403351	/nfs/dbraw/zinc/40/33/51/570403351.db2.gz	HXCJXMCLDZTEQI-FQEVSTJZSA-N	-1	3	386.411	4.754	50	10		GJCAHM
COc1ccccc1[C@@H](NC(=O)C1CCCCC1)c1ccc2cccnc2c1[O-]	ZINC000000869245	570501860	/nfs/dbraw/zinc/50/18/60/570501860.db2.gz	IYNFWIUVRYBAEN-JOCHJYFZSA-N	-1	3	390.483	4.735	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1cccnc1	ZINC000006721636	570550388	/nfs/dbraw/zinc/55/03/88/570550388.db2.gz	MSENSSDQASDNBY-WIYYLYMNSA-N	-1	3	377.831	4.683	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccccc1C)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000103562997	570886530	/nfs/dbraw/zinc/88/65/30/570886530.db2.gz	BUUHTXJGCMWZBH-YKSBVNFPSA-N	-1	3	386.451	4.952	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccc(C)cc1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000103562971	570886777	/nfs/dbraw/zinc/88/67/77/570886777.db2.gz	AHMKASKYPKWSJM-YKSBVNFPSA-N	-1	3	386.451	4.952	50	10		GJCAHM
CC(C)CC(=O)N[C@H](c1ccc2c(c1)OCO2)c1c([O-])ccc2ccccc21	ZINC000000801042	212182830	/nfs/dbraw/zinc/18/28/30/212182830.db2.gz	ZKBYNAHZSXADQH-HSZRJFAPSA-N	-1	3	377.440	4.526	50	10		GJCAHM
COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCCCCC2)c1=O	ZINC000005918967	206293518	/nfs/dbraw/zinc/29/35/18/206293518.db2.gz	NVWXICBOEDLFMH-UHFFFAOYSA-N	-1	3	379.456	4.550	50	10	biogenic	GJCAHM
COc1cc([O-])c(CN2C[C@H](C)C[C@@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12	ZINC000011865264	206294226	/nfs/dbraw/zinc/29/42/26/206294226.db2.gz	QLPKJMOJXSWDEW-HZPDHXFCSA-N	-1	3	393.483	4.652	50	10	biogenic	GJCAHM
COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCC[C@H](C)C3)c2=O)cc1	ZINC000020411782	206297266	/nfs/dbraw/zinc/29/72/66/206297266.db2.gz	XLIOEUNETUEZEJ-HNNXBMFYSA-N	-1	3	393.483	4.715	50	10	biogenic	GJCAHM
O=C(CCc1ccccc1)N[C@@H](c1cccs1)c1ccc2cccnc2c1[O-]	ZINC000000801029	206322453	/nfs/dbraw/zinc/32/24/53/206322453.db2.gz	WFKOFHFTIBUSFS-JOCHJYFZSA-N	-1	3	388.492	4.840	50	10		GJCAHM
CC(C)CC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1c([O-])ccc2ccccc21	ZINC000000801041	206322961	/nfs/dbraw/zinc/32/29/61/206322961.db2.gz	ZKBYNAHZSXADQH-QHCPKHFHSA-N	-1	3	377.440	4.526	50	10		GJCAHM
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1[O-]	ZINC000000974628	206338055	/nfs/dbraw/zinc/33/80/55/206338055.db2.gz	JDGBVQNBSVIAIO-NTEUORMPSA-N	-1	3	383.922	4.588	50	10		GJCAHM
CCOC(=O)c1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2[O-])c1	ZINC000027644749	207328141	/nfs/dbraw/zinc/32/81/41/207328141.db2.gz	FAXDYHYYJZFJIL-OAQYLSRUSA-N	-1	3	399.450	4.714	50	10		GJCAHM
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1c([O-])ccc2ccccc21	ZINC000013058853	221258707	/nfs/dbraw/zinc/25/87/07/221258707.db2.gz	BTGDMFJOFYLKKJ-UHFFFAOYSA-N	-1	3	393.874	4.870	50	10		GJCAHM
O=C(CC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048678324	570253645	/nfs/dbraw/zinc/25/36/45/570253645.db2.gz	YQAGEZAMFZVSAE-YADARESESA-N	-1	3	375.468	4.710	50	10		GJCAHM
[O-]c1c([C@H](Nc2ncccc2O)c2ccc(Cl)cc2)ccc2cccnc12	ZINC000049757088	570272100	/nfs/dbraw/zinc/27/21/00/570272100.db2.gz	KKYHNYRUBSYTCZ-GOSISDBHSA-N	-1	3	377.831	4.896	50	10	in-vitro	GJCAHM
COc1ccc([O-])c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1	ZINC000004660167	570390383	/nfs/dbraw/zinc/39/03/83/570390383.db2.gz	RBUBSYQAYDNEIB-UWJYYQICSA-N	-1	3	378.453	4.705	50	10		GJCAHM
COC(=O)c1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000005101943	570429129	/nfs/dbraw/zinc/42/91/29/570429129.db2.gz	HTEJFRYLADFIPX-OAQYLSRUSA-N	-1	3	399.450	4.632	50	10		GJCAHM
CCC(=O)N[C@@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869284	570501800	/nfs/dbraw/zinc/50/18/00/570501800.db2.gz	QOAKBXJYFIBKGC-KRWDZBQOSA-N	-1	3	375.255	4.863	50	10		GJCAHM
COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000006721815	570550838	/nfs/dbraw/zinc/55/08/38/570550838.db2.gz	DIFXVNPYNFOGAX-IIBYNOLFSA-N	-1	3	378.453	4.705	50	10		GJCAHM
CCC(CC)c1cc(C(=O)N(CC)Cc2cc(Br)ccc2[O-])on1	ZINC000072304694	570879165	/nfs/dbraw/zinc/87/91/65/570879165.db2.gz	ZOXKZJGSWGYJIB-UHFFFAOYSA-N	-1	3	395.297	4.709	50	10		GJCAHM
Cc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000004729268	570884259	/nfs/dbraw/zinc/88/42/59/570884259.db2.gz	QCAOPKFFIRDREG-AZUAARDMSA-N	-1	3	387.321	4.969	50	10		GJCAHM
COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCC(C)CC3)c2=O)cc1	ZINC000020411866	206296973	/nfs/dbraw/zinc/29/69/73/206296973.db2.gz	KPPSROAKKZWYBU-UHFFFAOYSA-N	-1	3	393.483	4.715	50	10	biogenic	GJCAHM
COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21	ZINC000010215986	206374135	/nfs/dbraw/zinc/37/41/35/206374135.db2.gz	NMKZSRFCGHBDPK-IIBYNOLFSA-N	-1	3	396.830	4.890	50	10		GJCAHM
COc1ccccc1-c1coc2c(ccc([O-])c2CN2[C@H](C)CCC[C@H]2C)c1=O	ZINC000019790390	207161695	/nfs/dbraw/zinc/16/16/95/207161695.db2.gz	HITBXRASXIBMQP-HZPDHXFCSA-N	-1	3	393.483	4.937	50	10	biogenic	GJCAHM
COc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053362972	222009492	/nfs/dbraw/zinc/00/94/92/222009492.db2.gz	XBGZCNYTTMYKJR-GMAHTHKFSA-N	-1	3	376.431	4.762	50	10		GJCAHM
COc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053362968	222009659	/nfs/dbraw/zinc/00/96/59/222009659.db2.gz	XBGZCNYTTMYKJR-JTHBVZDNSA-N	-1	3	376.431	4.762	50	10		GJCAHM
COc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053364809	222010015	/nfs/dbraw/zinc/01/00/15/222010015.db2.gz	DGVHFEQHLWQJBM-GMAHTHKFSA-N	-1	3	376.431	4.762	50	10		GJCAHM
COc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000006721723	570550302	/nfs/dbraw/zinc/55/03/02/570550302.db2.gz	BMDJLOSFWJNEDS-AUSIDOKSSA-N	-1	3	390.414	4.782	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccc(O)cc1	ZINC000006721631	570550470	/nfs/dbraw/zinc/55/04/70/570550470.db2.gz	PUNIZFWMYQLHJN-SIKLNZKXSA-N	-1	3	392.842	4.994	50	10		GJCAHM
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCCCC2)c1[O-]	ZINC000004808829	570997282	/nfs/dbraw/zinc/99/72/82/570997282.db2.gz	RFDBHVKRBCXXPR-UHFFFAOYSA-N	-1	3	398.528	4.869	50	10		GJCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(N(C)C)cc3)c([O-])c2n1	ZINC000001168764	206363120	/nfs/dbraw/zinc/36/31/20/206363120.db2.gz	RESWIUWBKBPTTM-QFIPXVFZSA-N	-1	3	384.483	4.911	50	10		GJCAHM
CCOc1ccccc1Oc1coc2c(ccc([O-])c2CN(CC)CC)c1=O	ZINC000020461118	207196012	/nfs/dbraw/zinc/19/60/12/207196012.db2.gz	GHLBEUMTUGUTML-UHFFFAOYSA-N	-1	3	383.444	4.531	50	10		GJCAHM
Cc1cc(C)cc(NC(=O)[C@@H]2CC23CCN(Cc2cc(Cl)ccc2[O-])CC3)c1	ZINC000011968849	221140277	/nfs/dbraw/zinc/14/02/77/221140277.db2.gz	XRRDRQDEKCFARW-FQEVSTJZSA-N	-1	3	398.934	4.903	50	10		GJCAHM
COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1[O-]	ZINC000015008410	221326062	/nfs/dbraw/zinc/32/60/62/221326062.db2.gz	YIWDBWJVVWPOCG-OQLLNIDSSA-N	-1	3	391.901	4.768	50	10		GJCAHM
CC[C@@H]1CCCCN1Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3	ZINC000019800092	570220253	/nfs/dbraw/zinc/22/02/53/570220253.db2.gz	LGEMGRJHQBCNPF-CYBMUJFWSA-N	-1	3	375.896	4.795	50	10		GJCAHM
Cc1noc(C)c1CC(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000010911791	570365025	/nfs/dbraw/zinc/36/50/25/570365025.db2.gz	OYLFCMVOGRERFI-DEOSSOPVSA-N	-1	3	386.451	4.599	50	10		GJCAHM
O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCCN1Cc1cc(Cl)ccc1[O-]	ZINC000036347817	570563228	/nfs/dbraw/zinc/56/32/28/570563228.db2.gz	TZJNGUYAMNYKKM-OAQYLSRUSA-N	-1	3	397.862	4.751	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccccc1F)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000169681527	570602049	/nfs/dbraw/zinc/60/20/49/570602049.db2.gz	QJEYNWDOXNZLHL-CVDCTZTESA-N	-1	3	390.414	4.782	50	10		GJCAHM
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cccc(C)c1	ZINC000101123610	570815197	/nfs/dbraw/zinc/81/51/97/570815197.db2.gz	KHOGRNRQHWYCML-GZTJUZNOSA-N	-1	3	384.277	4.784	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccncc1	ZINC000102907342	570871464	/nfs/dbraw/zinc/87/14/64/570871464.db2.gz	IYHBKSIFFHRMLY-WIYYLYMNSA-N	-1	3	377.831	4.683	50	10		GJCAHM
COc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN2CCC(C)CC2)c1=O	ZINC000020411440	212150697	/nfs/dbraw/zinc/15/06/97/212150697.db2.gz	SLKHHSMYTNQKDZ-UHFFFAOYSA-N	-1	3	393.483	4.715	50	10	biogenic	GJCAHM
CC(C)CC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21	ZINC000000801037	206323431	/nfs/dbraw/zinc/32/34/31/206323431.db2.gz	LIURNHRZIXEXIT-JOCHJYFZSA-N	-1	3	378.428	4.705	50	10		GJCAHM
CCCCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)coc21	ZINC000019790395	207162035	/nfs/dbraw/zinc/16/20/35/207162035.db2.gz	JIVIVOGQAJHJAH-UHFFFAOYSA-N	-1	3	381.472	4.796	50	10	biogenic	GJCAHM
CC(=Nc1ccc(Cl)cc1C)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000018250797	221391287	/nfs/dbraw/zinc/39/12/87/221391287.db2.gz	MGDNEMRAFCVGOX-LDADJPATSA-N	-1	3	384.823	4.665	50	10		GJCAHM
COc1ccc([C@H](Nc2nccs2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000059386402	222058163	/nfs/dbraw/zinc/05/81/63/222058163.db2.gz	BCHBBVWZRIQVCY-SFHVURJKSA-N	-1	3	377.469	4.915	50	10		GJCAHM
O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048678323	570253616	/nfs/dbraw/zinc/25/36/16/570253616.db2.gz	YQAGEZAMFZVSAE-CYFREDJKSA-N	-1	3	375.468	4.710	50	10		GJCAHM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cccc(Br)c1	ZINC000005277162	570547989	/nfs/dbraw/zinc/54/79/89/570547989.db2.gz	VFEPUTYJCANZEA-BOPFTXTBSA-N	-1	3	384.277	4.784	50	10		GJCAHM
O=[N+]([O-])c1ccccc1[C@H]1c2cccn2CCCN1Cc1cc(Cl)ccc1[O-]	ZINC000036347818	570563428	/nfs/dbraw/zinc/56/34/28/570563428.db2.gz	TZJNGUYAMNYKKM-NRFANRHFSA-N	-1	3	397.862	4.751	50	10		GJCAHM
Cc1cc2n(n1)[C@@H](c1cc(Br)ccc1[O-])Nc1c(C)cc(C)cc1-2	ZINC000006792746	570596775	/nfs/dbraw/zinc/59/67/75/570596775.db2.gz	XLOFECYBQORHIL-IBGZPJMESA-N	-1	3	384.277	4.916	50	10		GJCAHM
O=[N+]([O-])c1ccc([C@H](Nc2nccs2)c2ccc3cccnc3c2[O-])cc1	ZINC000001004568	570745981	/nfs/dbraw/zinc/74/59/81/570745981.db2.gz	VBMBLYPJQKXYQD-INIZCTEOSA-N	-1	3	378.413	4.507	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1cccc(C)c1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000103562989	570886813	/nfs/dbraw/zinc/88/68/13/570886813.db2.gz	LCXVLUCQOIHBRG-YKSBVNFPSA-N	-1	3	386.451	4.952	50	10		GJCAHM
Cc1cccc(N[C@@H](c2ccncc2)c2cc(Cl)c3cccnc3c2[O-])n1	ZINC000045944577	571005631	/nfs/dbraw/zinc/00/56/31/571005631.db2.gz	BAULLPMRXGTTBP-IBGZPJMESA-N	-1	3	376.847	4.894	50	10		GJCAHM
O=c1c(-c2nc3ccccc3s2)coc2c1ccc([O-])c2CN1CCCCC1	ZINC000019707090	206296363	/nfs/dbraw/zinc/29/63/63/206296363.db2.gz	RHLLQZYAULWSJE-UHFFFAOYSA-N	-1	3	392.480	4.761	50	10	biogenic	GJCAHM
COc1ccccc1Oc1coc2c(ccc([O-])c2CN2CCC[C@H](C)C2)c1=O	ZINC000020390868	207190341	/nfs/dbraw/zinc/19/03/41/207190341.db2.gz	KZVGKNAVBHUTEK-HNNXBMFYSA-N	-1	3	395.455	4.531	50	10	biogenic	GJCAHM
CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1[O-]	ZINC000004689807	220747724	/nfs/dbraw/zinc/74/77/24/220747724.db2.gz	RXURPMCNLILKOP-XNTDXEJSSA-N	-1	3	397.949	4.978	50	10		GJCAHM
COc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc(Cl)c1[O-]	ZINC000015011115	221326751	/nfs/dbraw/zinc/32/67/51/221326751.db2.gz	MBXKQVFIFMFSNY-GDNBJRDFSA-N	-1	3	397.949	4.836	50	10		GJCAHM
COc1ccc(OC)c(-c2ccc([O-])c(CN(C)[C@@H](C)c3nccs3)c2)c1	ZINC000064152560	222070119	/nfs/dbraw/zinc/07/01/19/222070119.db2.gz	ZMMLXWVOFLDYEP-AWEZNQCLSA-N	-1	3	384.501	4.726	50	10		GJCAHM
Cc1c2cc(Cl)c([O-])c(CN3CCCC3)c2oc(=O)c1Cc1ccccc1	ZINC000020292827	570251645	/nfs/dbraw/zinc/25/16/45/570251645.db2.gz	NHHAFKYBNLNZRA-UHFFFAOYSA-N	-1	3	383.875	4.647	50	10		GJCAHM
Cc1c([O-])c(CN(C)C)cc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12	ZINC000002581658	570291294	/nfs/dbraw/zinc/29/12/94/570291294.db2.gz	HPGLUAODPLNMOE-UHFFFAOYSA-N	-1	3	377.362	4.554	50	10		GJCAHM
COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[O-]	ZINC000004164987	570360490	/nfs/dbraw/zinc/36/04/90/570360490.db2.gz	RYPCGUFJRBGVJA-KKSFZXQISA-N	-1	3	378.453	4.705	50	10		GJCAHM
CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1c([O-])ccc2ccccc21	ZINC000005067800	570410667	/nfs/dbraw/zinc/41/06/67/570410667.db2.gz	TUVCLDJAQUPYDA-UHFFFAOYSA-N	-1	3	388.389	4.635	50	10		GJCAHM
COc1ccc(Oc2coc3c(ccc([O-])c3CN3CCC[C@@H](C)C3)c2=O)cc1	ZINC000005185281	570497707	/nfs/dbraw/zinc/49/77/07/570497707.db2.gz	WMLNZZILBDNROI-OAHLLOKOSA-N	-1	3	395.455	4.531	50	10		GJCAHM
COc1cccc2c1O[C@H](c1ccccc1C)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000006721727	570550456	/nfs/dbraw/zinc/55/04/56/570550456.db2.gz	BUUHTXJGCMWZBH-GBXCKJPGSA-N	-1	3	386.451	4.952	50	10		GJCAHM
COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)c([O-])c1	ZINC000241435216	570686479	/nfs/dbraw/zinc/68/64/79/570686479.db2.gz	NLTRIXADWRJWBJ-HNNXBMFYSA-N	-1	3	384.482	4.515	50	10		GJCAHM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cccc(Br)c1	ZINC000101150137	570814599	/nfs/dbraw/zinc/81/45/99/570814599.db2.gz	HWWJZUWEYNOQHO-MHWRWJLKSA-N	-1	3	390.668	4.821	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1cccnc1	ZINC000102907279	570870905	/nfs/dbraw/zinc/87/09/05/570870905.db2.gz	MSENSSDQASDNBY-NQIIRXRSSA-N	-1	3	377.831	4.683	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccncc1	ZINC000102907274	570871058	/nfs/dbraw/zinc/87/10/58/570871058.db2.gz	KMGMZDOWWQGNPC-RXVVDRJESA-N	-1	3	377.831	4.683	50	10		GJCAHM
COC(=O)c1ccccc1N[C@@H](c1ccccc1)c1ccc2cccnc2c1[O-]	ZINC000000762974	212179398	/nfs/dbraw/zinc/17/93/98/212179398.db2.gz	ZPJOAKSLQZOQOG-NRFANRHFSA-N	-1	3	384.435	4.929	50	10		GJCAHM
COc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN2CCCCCC2)c1=O	ZINC000006920688	212147361	/nfs/dbraw/zinc/14/73/61/212147361.db2.gz	CKVGONCYDYPVNK-UHFFFAOYSA-N	-1	3	393.483	4.859	50	10	biogenic	GJCAHM
CCCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801081	206323017	/nfs/dbraw/zinc/32/30/17/206323017.db2.gz	AKOYFLRLPAVVCZ-LJQANCHMSA-N	-1	3	384.863	4.608	50	10		GJCAHM
COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[O-]	ZINC000001007312	206341118	/nfs/dbraw/zinc/34/11/18/206341118.db2.gz	RYPCGUFJRBGVJA-IERDGZPVSA-N	-1	3	378.453	4.705	50	10		GJCAHM
Cc1ccnc(N[C@@H](c2ccc([N+](=O)[O-])cc2)c2ccc3cccnc3c2[O-])c1	ZINC000015016408	207041183	/nfs/dbraw/zinc/04/11/83/207041183.db2.gz	WRUZNTSXJKBYPR-FQEVSTJZSA-N	-1	3	386.411	4.754	50	10		GJCAHM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc(Br)c1	ZINC000100535628	208376890	/nfs/dbraw/zinc/37/68/90/208376890.db2.gz	ZDIMZLSNZBEEDZ-MHWRWJLKSA-N	-1	3	390.668	4.821	50	10		GJCAHM
COc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053364806	222009942	/nfs/dbraw/zinc/00/99/42/222009942.db2.gz	DGVHFEQHLWQJBM-GGAORHGYSA-N	-1	3	376.431	4.762	50	10		GJCAHM
O=[N+]([O-])c1cccc([C@H](Nc2nccs2)c2ccc3cccnc3c2[O-])c1	ZINC000001463221	570229986	/nfs/dbraw/zinc/22/99/86/570229986.db2.gz	SBJMCERUBAHADF-INIZCTEOSA-N	-1	3	378.413	4.507	50	10		GJCAHM
Cc1ccnc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2[O-])c1	ZINC000002978256	570321545	/nfs/dbraw/zinc/32/15/45/570321545.db2.gz	CKWCYYXSFATAIE-HXUWFJFHSA-N	-1	3	386.411	4.754	50	10		GJCAHM
O=C1/C(=C/c2cc(Br)ccc2[O-])SC(=S)N1C1CCCCC1	ZINC000023410551	570361792	/nfs/dbraw/zinc/36/17/92/570361792.db2.gz	MMPASIKIYLGMPB-ZROIWOOFSA-N	-1	3	398.347	4.689	50	10		GJCAHM
CCCCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1[O-]	ZINC000004959833	570382005	/nfs/dbraw/zinc/38/20/05/570382005.db2.gz	BUMPAWLVAKLTNJ-HXUWFJFHSA-N	-1	3	398.890	4.998	50	10		GJCAHM
COc1cccc2c1O[C@H](c1ccc(C)cc1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000006721719	570550314	/nfs/dbraw/zinc/55/03/14/570550314.db2.gz	AHMKASKYPKWSJM-GBXCKJPGSA-N	-1	3	386.451	4.952	50	10		GJCAHM
COc1ccccc1-c1coc2c(ccc([O-])c2CN2[C@H](C)CCC[C@@H]2C)c1=O	ZINC000013125337	570747487	/nfs/dbraw/zinc/74/74/87/570747487.db2.gz	HITBXRASXIBMQP-IYBDPMFKSA-N	-1	3	393.483	4.937	50	10	biogenic	GJCAHM
COc1ccc(OC)c(-c2ccc([O-])c(CN(C)[C@H](C)c3nccs3)c2)c1	ZINC000064152562	570753605	/nfs/dbraw/zinc/75/36/05/570753605.db2.gz	ZMMLXWVOFLDYEP-CQSZACIVSA-N	-1	3	384.501	4.726	50	10		GJCAHM
Cc1ccnc(N[C@@H](c2ccc3cccnc3c2[O-])c2ccccc2[N+](=O)[O-])c1	ZINC000001171699	212224540	/nfs/dbraw/zinc/22/45/40/212224540.db2.gz	LQKHZFASLJFUJQ-OAQYLSRUSA-N	-1	3	386.411	4.754	50	10		GJCAHM
Cc1ccccc1-c1c(=O)c2cc(CN(C)C)c([O-])c(C)c2oc1C(F)(F)F	ZINC000001158990	212224175	/nfs/dbraw/zinc/22/41/75/212224175.db2.gz	HCTURZHVKHIMTI-UHFFFAOYSA-N	-1	3	391.389	4.863	50	10		GJCAHM
O=C1N[C@H](c2cc(Br)ccc2[O-])Nc2sc3c(c21)CCCC3	ZINC000035668764	206766110	/nfs/dbraw/zinc/76/61/10/206766110.db2.gz	IZLNIGLWIOAYFQ-AWEZNQCLSA-N	-1	3	379.279	4.524	50	10		GJCAHM
CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000227486701	209001283	/nfs/dbraw/zinc/00/12/83/209001283.db2.gz	JRAKMLXXLKDSLP-JTSKRJEESA-N	-1	3	376.412	4.626	50	10		GJCAHM
COc1cccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3ccccc3[O-])C2)c1	ZINC000053363374	222009550	/nfs/dbraw/zinc/00/95/50/222009550.db2.gz	OXDFTLCPJVXGBN-GMAHTHKFSA-N	-1	3	376.431	4.762	50	10		GJCAHM
Cc1ccnc(N[C@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000002470370	570288013	/nfs/dbraw/zinc/28/80/13/570288013.db2.gz	XFTMHNBUYOONGV-JOCHJYFZSA-N	-1	3	384.483	4.911	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccc(F)cc1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000169681525	570602102	/nfs/dbraw/zinc/60/21/02/570602102.db2.gz	NAACHQHLZYGKBJ-CVDCTZTESA-N	-1	3	390.414	4.782	50	10		GJCAHM
Cn1c(-c2ccc(Br)cc2)cnc1NCc1cc(Cl)ccc1[O-]	ZINC000004678300	570824294	/nfs/dbraw/zinc/82/42/94/570824294.db2.gz	IHOMIQDPAVQEQK-UHFFFAOYSA-N	-1	3	392.684	4.821	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccc(C)o1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000102907442	570871366	/nfs/dbraw/zinc/87/13/66/570871366.db2.gz	WGQAQINZRNBPFZ-VGSWGCGISA-N	-1	3	376.412	4.545	50	10		GJCAHM
Cc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000004729270	570884137	/nfs/dbraw/zinc/88/41/37/570884137.db2.gz	QCAOPKFFIRDREG-QUCCMNQESA-N	-1	3	387.321	4.969	50	10		GJCAHM
COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCCCC3)c2=O)cc1	ZINC000020358633	212150905	/nfs/dbraw/zinc/15/09/05/212150905.db2.gz	XMTHQGHMGRJCNY-UHFFFAOYSA-N	-1	3	379.456	4.550	50	10	biogenic	GJCAHM
COC(=O)c1ccccc1N[C@H](c1ccccc1)c1ccc2cccnc2c1[O-]	ZINC000000762975	206320924	/nfs/dbraw/zinc/32/09/24/206320924.db2.gz	ZPJOAKSLQZOQOG-OAQYLSRUSA-N	-1	3	384.435	4.929	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccc(C)o1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000010215862	206374964	/nfs/dbraw/zinc/37/49/64/206374964.db2.gz	WGQAQINZRNBPFZ-JTSKRJEESA-N	-1	3	376.412	4.545	50	10		GJCAHM
[O-]c1ccc(Cl)cc1CN1CCOc2c(O)cc(-c3cccs3)cc2C1	ZINC000012190846	221165436	/nfs/dbraw/zinc/16/54/36/221165436.db2.gz	UVQUDMLRMNJVSI-UHFFFAOYSA-N	-1	3	387.888	4.874	50	10		GJCAHM
CC[C@H]1CCCCN1Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3	ZINC000019800094	570220346	/nfs/dbraw/zinc/22/03/46/570220346.db2.gz	LGEMGRJHQBCNPF-ZDUSSCGKSA-N	-1	3	375.896	4.795	50	10		GJCAHM
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCC[C@@H]2C)c1[O-]	ZINC000004824778	570292219	/nfs/dbraw/zinc/29/22/19/570292219.db2.gz	FOSBHTHVGCKDJJ-AWEZNQCLSA-N	-1	3	398.528	4.867	50	10		GJCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3[N+](=O)[O-])c([O-])c2n1	ZINC000006614237	570484808	/nfs/dbraw/zinc/48/48/08/570484808.db2.gz	NGFANJMUYJCQEL-NRFANRHFSA-N	-1	3	386.411	4.754	50	10		GJCAHM
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cccc(C)c1	ZINC000006815706	570494919	/nfs/dbraw/zinc/49/49/19/570494919.db2.gz	KHOGRNRQHWYCML-BOPFTXTBSA-N	-1	3	384.277	4.784	50	10		GJCAHM
COc1ccc([C@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccc(C)cc2)cc1	ZINC000005252450	570529370	/nfs/dbraw/zinc/52/93/70/570529370.db2.gz	ITENUEVJUQVNBK-JOCHJYFZSA-N	-1	3	386.451	4.701	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1cccnc1	ZINC000102907346	570871511	/nfs/dbraw/zinc/87/15/11/570871511.db2.gz	JBHKJBUTZBUJDZ-WIYYLYMNSA-N	-1	3	377.831	4.683	50	10		GJCAHM
COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCC[C@H]3C)c2=O)cc1	ZINC000020411728	206296847	/nfs/dbraw/zinc/29/68/47/206296847.db2.gz	PYJVKFYMNGEDKC-OAHLLOKOSA-N	-1	3	379.456	4.549	50	10	biogenic	GJCAHM
CCOC(=O)c1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2[O-])c1	ZINC000027644742	207328375	/nfs/dbraw/zinc/32/83/75/207328375.db2.gz	FAXDYHYYJZFJIL-NRFANRHFSA-N	-1	3	399.450	4.714	50	10		GJCAHM
COc1ccc(C2=N[C@H](c3sccc3C)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000058083360	222039811	/nfs/dbraw/zinc/03/98/11/222039811.db2.gz	GMAOTWMTZDGREZ-UGKGYDQZSA-N	-1	3	378.497	4.993	50	10		GJCAHM
COc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1OC	ZINC000004139997	570359374	/nfs/dbraw/zinc/35/93/74/570359374.db2.gz	KVIWTXYWCVKZLF-OAQYLSRUSA-N	-1	3	387.439	4.554	50	10		GJCAHM
COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)c([O-])c1	ZINC000252494120	570476382	/nfs/dbraw/zinc/47/63/82/570476382.db2.gz	NLTRIXADWRJWBJ-OAHLLOKOSA-N	-1	3	384.482	4.515	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccccc1F)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000006721730	570550280	/nfs/dbraw/zinc/55/02/80/570550280.db2.gz	QJEYNWDOXNZLHL-XXBNENTESA-N	-1	3	390.414	4.782	50	10		GJCAHM
Cc1cc2n(n1)[C@H](c1cc(Br)ccc1[O-])Nc1c(C)cc(C)cc1-2	ZINC000006792740	570596979	/nfs/dbraw/zinc/59/69/79/570596979.db2.gz	XLOFECYBQORHIL-LJQANCHMSA-N	-1	3	384.277	4.916	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cccnc1	ZINC000102907344	570871495	/nfs/dbraw/zinc/87/14/95/570871495.db2.gz	JBHKJBUTZBUJDZ-GHTZIAJQSA-N	-1	3	377.831	4.683	50	10		GJCAHM
Cc1cccc(N[C@H](c2ccncc2)c2cc(Cl)c3cccnc3c2[O-])n1	ZINC000045944580	571005675	/nfs/dbraw/zinc/00/56/75/571005675.db2.gz	BAULLPMRXGTTBP-LJQANCHMSA-N	-1	3	376.847	4.894	50	10		GJCAHM
Cc1oc2c(ccc([O-])c2CNCc2cccs2)c(=O)c1-c1ccc(F)cc1	ZINC000032501388	212160907	/nfs/dbraw/zinc/16/09/07/212160907.db2.gz	UKADBLYUJWIKIK-UHFFFAOYSA-N	-1	3	395.455	4.964	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000010215855	206373981	/nfs/dbraw/zinc/37/39/81/206373981.db2.gz	CRLFOUQLXKEVAO-UTKZUKDTSA-N	-1	3	378.453	4.705	50	10		GJCAHM
COc1cccc2c1O[C@H](c1ccc(F)cc1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000020070946	207177665	/nfs/dbraw/zinc/17/76/65/207177665.db2.gz	NAACHQHLZYGKBJ-WMZHIEFXSA-N	-1	3	390.414	4.782	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc(O)cc1	ZINC000020070815	207177892	/nfs/dbraw/zinc/17/78/92/207177892.db2.gz	PIIYMPNFHFANSR-SIKLNZKXSA-N	-1	3	392.842	4.994	50	10		GJCAHM
Cc1ccnc(N[C@H](c2ccc([N+](=O)[O-])cc2)c2ccc3cccnc3c2[O-])c1	ZINC000015016409	221326716	/nfs/dbraw/zinc/32/67/16/221326716.db2.gz	WRUZNTSXJKBYPR-HXUWFJFHSA-N	-1	3	386.411	4.754	50	10		GJCAHM
COc1ccc(C2=N[C@H](c3sccc3C)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000058083371	222038892	/nfs/dbraw/zinc/03/88/92/222038892.db2.gz	GMAOTWMTZDGREZ-KNQAVFIVSA-N	-1	3	378.497	4.993	50	10		GJCAHM
COc1ccccc1Oc1coc2c(ccc([O-])c2CN2CCC(C)CC2)c1=O	ZINC000020436507	212152334	/nfs/dbraw/zinc/15/23/34/212152334.db2.gz	ILBAWMXVRVJGGY-UHFFFAOYSA-N	-1	3	395.455	4.531	50	10	biogenic	GJCAHM
COc1ccc(Oc2c(C)oc3c(ccc([O-])c3CN3CCCCC3)c2=O)cc1	ZINC000020390737	212151994	/nfs/dbraw/zinc/15/19/94/212151994.db2.gz	LVFHGHXIWSDNCJ-UHFFFAOYSA-N	-1	3	395.455	4.594	50	10	biogenic	GJCAHM
O=C(N[C@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000000855826	206327993	/nfs/dbraw/zinc/32/79/93/206327993.db2.gz	AOXLDXFRPQBDTI-HSZRJFAPSA-N	-1	3	398.418	4.973	50	10		GJCAHM
COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@@H](c3ccccc3)C2)c([O-])c1	ZINC000001279863	206369980	/nfs/dbraw/zinc/36/99/80/206369980.db2.gz	QMDBMRNDDPWKEL-MEWQITQSSA-N	-1	3	398.462	4.792	50	10		GJCAHM
COc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1O	ZINC000015016433	207041278	/nfs/dbraw/zinc/04/12/78/207041278.db2.gz	FCTHDIWMHUZDNV-OAQYLSRUSA-N	-1	3	387.439	4.560	50	10		GJCAHM
CCOC(=O)c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000021729008	207237204	/nfs/dbraw/zinc/23/72/04/207237204.db2.gz	CFOLCQCBYGZHBA-QFIPXVFZSA-N	-1	3	399.450	4.714	50	10		GJCAHM
COc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053364803	222009746	/nfs/dbraw/zinc/00/97/46/222009746.db2.gz	DGVHFEQHLWQJBM-JTHBVZDNSA-N	-1	3	376.431	4.762	50	10		GJCAHM
COc1ccc(C2=N[C@@H](c3sccc3C)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000058083365	222040010	/nfs/dbraw/zinc/04/00/10/222040010.db2.gz	GMAOTWMTZDGREZ-SIKLNZKXSA-N	-1	3	378.497	4.993	50	10		GJCAHM
CCCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1c([O-])ccc2ccccc21	ZINC000002870340	570313538	/nfs/dbraw/zinc/31/35/38/570313538.db2.gz	BKSDMVNJYNJHPO-DEOSSOPVSA-N	-1	3	393.483	4.958	50	10		GJCAHM
Cc1cccc(N[C@H](c2ccc3c(c2)OCO3)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000004164774	570360536	/nfs/dbraw/zinc/36/05/36/570360536.db2.gz	ASZDPGHRTDVQCH-JOCHJYFZSA-N	-1	3	399.450	4.882	50	10		GJCAHM
Cc1cccc(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000004164772	570360558	/nfs/dbraw/zinc/36/05/58/570360558.db2.gz	ASZDPGHRTDVQCH-QFIPXVFZSA-N	-1	3	399.450	4.882	50	10		GJCAHM
COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc(Cl)c1[O-]	ZINC000004613833	570387705	/nfs/dbraw/zinc/38/77/05/570387705.db2.gz	RCKDYYQKEYUSNA-KPKJPENVSA-N	-1	3	377.227	4.514	50	10		GJCAHM
COc1ccc([C@H]2CC(c3ccccc3[O-])=NN2C(=O)/C=C/c2ccccc2)cc1	ZINC000005254763	570529872	/nfs/dbraw/zinc/52/98/72/570529872.db2.gz	GGFNVLXOKBHUQT-UUFSLDAJSA-N	-1	3	398.462	4.792	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000006721724	570550187	/nfs/dbraw/zinc/55/01/87/570550187.db2.gz	BMDJLOSFWJNEDS-XXBNENTESA-N	-1	3	390.414	4.782	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccc(O)cc1	ZINC000006721644	570550447	/nfs/dbraw/zinc/55/04/47/570550447.db2.gz	PIIYMPNFHFANSR-KNQAVFIVSA-N	-1	3	392.842	4.994	50	10		GJCAHM
COc1cccc2c1O[C@H](c1ccc(C)o1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000102907445	570871282	/nfs/dbraw/zinc/87/12/82/570871282.db2.gz	WGQAQINZRNBPFZ-VGOFRKELSA-N	-1	3	376.412	4.545	50	10		GJCAHM
Cc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000004729273	570884281	/nfs/dbraw/zinc/88/42/81/570884281.db2.gz	QCAOPKFFIRDREG-UYAOXDASSA-N	-1	3	387.321	4.969	50	10		GJCAHM
COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@H](c3ccccc3)C2)c([O-])c1	ZINC000001279865	212233704	/nfs/dbraw/zinc/23/37/04/212233704.db2.gz	QMDBMRNDDPWKEL-UXZSZYKQSA-N	-1	3	398.462	4.792	50	10		GJCAHM
COc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN2CCCC[C@@H]2C)c1=O	ZINC000003653128	212146152	/nfs/dbraw/zinc/14/61/52/212146152.db2.gz	LEXIIBMSVNOCIL-HNNXBMFYSA-N	-1	3	393.483	4.857	50	10	biogenic	GJCAHM
COc1ccccc1Oc1coc2c(ccc([O-])c2CN2CCCC[C@H]2C)c1=O	ZINC000020394735	206297514	/nfs/dbraw/zinc/29/75/14/206297514.db2.gz	UXQROXIAEXJEEX-OAHLLOKOSA-N	-1	3	395.455	4.674	50	10	biogenic	GJCAHM
COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[O-]	ZINC000000684573	206316567	/nfs/dbraw/zinc/31/65/67/206316567.db2.gz	RYPCGUFJRBGVJA-HRAATJIYSA-N	-1	3	378.453	4.705	50	10		GJCAHM
O=C(N[C@@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000002870167	206441971	/nfs/dbraw/zinc/44/19/71/206441971.db2.gz	AOXLDXFRPQBDTI-QHCPKHFHSA-N	-1	3	398.418	4.973	50	10		GJCAHM
O=C(N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1[O-])c1cccnc1	ZINC000017360755	221383823	/nfs/dbraw/zinc/38/38/23/221383823.db2.gz	QDYVWPBPZWJQMG-LJQANCHMSA-N	-1	3	389.842	4.508	50	10		GJCAHM
CCOC(=O)c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000021729005	221539557	/nfs/dbraw/zinc/53/95/57/221539557.db2.gz	CFOLCQCBYGZHBA-JOCHJYFZSA-N	-1	3	399.450	4.714	50	10		GJCAHM
CCN(CC)c1ccc([C@@H](NC(=O)C(C)C)c2ccc3cccnc3c2[O-])cc1	ZINC000000869243	570501707	/nfs/dbraw/zinc/50/17/07/570501707.db2.gz	QMGIYQLIQGUDJE-OAQYLSRUSA-N	-1	3	391.515	4.648	50	10		GJCAHM
CCN(CC)c1ccc([C@H](NC(=O)C(C)C)c2ccc3cccnc3c2[O-])cc1	ZINC000000869242	570501756	/nfs/dbraw/zinc/50/17/56/570501756.db2.gz	QMGIYQLIQGUDJE-NRFANRHFSA-N	-1	3	391.515	4.648	50	10		GJCAHM
Cc1nc2cc(N=Cc3c(C)[n-]n(-c4cccc5ccccc54)c3=O)ccc2[nH]1	ZINC000005336361	570556199	/nfs/dbraw/zinc/55/61/99/570556199.db2.gz	XTMMZHZXHRZASG-UYRXBGFRSA-N	-1	3	381.439	4.743	50	10		GJCAHM
Cc1nc2ccc(N=Cc3c(C)[n-]n(-c4cccc5ccccc54)c3=O)cc2[nH]1	ZINC000005336361	570556202	/nfs/dbraw/zinc/55/62/02/570556202.db2.gz	XTMMZHZXHRZASG-UYRXBGFRSA-N	-1	3	381.439	4.743	50	10		GJCAHM
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1[O-]	ZINC000012418337	570657116	/nfs/dbraw/zinc/65/71/16/570657116.db2.gz	WZADKFLHKUWABH-ZSOIEALJSA-N	-1	3	395.864	4.599	50	10		GJCAHM
[O-]c1c([C@@H](c2ccc(Br)cc2)N2CCCC2)ccc2cccnc21	ZINC000004871543	570933973	/nfs/dbraw/zinc/93/39/73/570933973.db2.gz	VMPFQVVBVXXCJQ-LJQANCHMSA-N	-1	3	383.289	4.888	50	10		GJCAHM
COc1cccc(Oc2coc3c(ccc([O-])c3CN3CCCC[C@@H]3C)c2=O)c1	ZINC000005219028	206293593	/nfs/dbraw/zinc/29/35/93/206293593.db2.gz	NKOSXXUTYNCMTD-HNNXBMFYSA-N	-1	3	395.455	4.674	50	10	biogenic	GJCAHM
CCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-]	ZINC000000869237	206328536	/nfs/dbraw/zinc/32/85/36/206328536.db2.gz	JMTVJWPQYBJTGF-GOSISDBHSA-N	-1	3	375.255	4.863	50	10		GJCAHM
COc1cccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3ccccc3[O-])C2)c1	ZINC000053363369	222009012	/nfs/dbraw/zinc/00/90/12/222009012.db2.gz	OXDFTLCPJVXGBN-FYYLOGMGSA-N	-1	3	376.431	4.762	50	10		GJCAHM
CCOc1cc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])ccc1O	ZINC000019842991	520771944	/nfs/dbraw/zinc/77/19/44/520771944.db2.gz	HTVCMQHJWJYEJU-OAQYLSRUSA-N	-1	3	387.439	4.641	50	10		GJCAHM
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCC[C@H]2C)c1[O-]	ZINC000004824782	570292237	/nfs/dbraw/zinc/29/22/37/570292237.db2.gz	FOSBHTHVGCKDJJ-CQSZACIVSA-N	-1	3	398.528	4.867	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1ccccc1C)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000006721728	570550466	/nfs/dbraw/zinc/55/04/66/570550466.db2.gz	BUUHTXJGCMWZBH-RDPSFJRHSA-N	-1	3	386.451	4.952	50	10		GJCAHM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Br)cc1	ZINC000013137848	570763860	/nfs/dbraw/zinc/76/38/60/570763860.db2.gz	KQFVEOPVRIHXDO-YBEGLDIGSA-N	-1	3	390.668	4.821	50	10		GJCAHM
COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCC[C@@H]3C)c2=O)cc1	ZINC000020411724	206296310	/nfs/dbraw/zinc/29/63/10/206296310.db2.gz	PYJVKFYMNGEDKC-HNNXBMFYSA-N	-1	3	379.456	4.549	50	10	biogenic	GJCAHM
CCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-]	ZINC000000869236	206329585	/nfs/dbraw/zinc/32/95/85/206329585.db2.gz	JMTVJWPQYBJTGF-SFHVURJKSA-N	-1	3	375.255	4.863	50	10		GJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccc(O)cc1	ZINC000020070730	207178130	/nfs/dbraw/zinc/17/81/30/207178130.db2.gz	PUNIZFWMYQLHJN-UGKGYDQZSA-N	-1	3	392.842	4.994	50	10		GJCAHM
O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(CNCc3cccnc3)c2o1	ZINC000020573138	207204008	/nfs/dbraw/zinc/20/40/08/207204008.db2.gz	YXRGWKRAOLSITC-UHFFFAOYSA-N	-1	3	392.842	4.504	50	10		GJCAHM
COc1ccccc1[C@@H]1CN(Cc2c([O-])cccc2OC)Cc2ccccc2O1	ZINC000020910731	207219838	/nfs/dbraw/zinc/21/98/38/207219838.db2.gz	DLAVEMMBYVWVFT-DEOSSOPVSA-N	-1	3	391.467	4.545	50	10		GJCAHM
O=c1c(-c2ccc(F)cc2)coc2c1ccc([O-])c2CNCc1ccccc1	ZINC000032501386	207397604	/nfs/dbraw/zinc/39/76/04/207397604.db2.gz	QYEXRSWEIOIMOA-UHFFFAOYSA-N	-1	3	375.399	4.595	50	10		GJCAHM
CCN(CC)Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21	ZINC000020292135	570251949	/nfs/dbraw/zinc/25/19/49/570251949.db2.gz	JHOAYCMWMHFQIB-UHFFFAOYSA-N	-1	3	385.891	4.893	50	10		GJCAHM
O=C1/C(=C\c2cc(Br)ccc2[O-])SC(=S)N1C1CCCCC1	ZINC000001175847	570254081	/nfs/dbraw/zinc/25/40/81/570254081.db2.gz	MMPASIKIYLGMPB-NTEUORMPSA-N	-1	3	398.347	4.689	50	10		GJCAHM
CCC(=O)N[C@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869285	570501812	/nfs/dbraw/zinc/50/18/12/570501812.db2.gz	QOAKBXJYFIBKGC-QGZVFWFLSA-N	-1	3	375.255	4.863	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccccn1	ZINC000102907350	570871245	/nfs/dbraw/zinc/87/12/45/570871245.db2.gz	KEAVQKQEZPAXGU-WIYYLYMNSA-N	-1	3	377.831	4.683	50	10		GJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccccn1	ZINC000102907348	570871421	/nfs/dbraw/zinc/87/14/21/570871421.db2.gz	KEAVQKQEZPAXGU-GHTZIAJQSA-N	-1	3	377.831	4.683	50	10		GJCAHM
COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCCC[C@H]2C)c1=O	ZINC000019790388	212149180	/nfs/dbraw/zinc/14/91/80/212149180.db2.gz	ACICCXCUFOEWRG-OAHLLOKOSA-N	-1	3	379.456	4.549	50	10	biogenic	GJCAHM
COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000010215849	206374362	/nfs/dbraw/zinc/37/43/62/206374362.db2.gz	CRLFOUQLXKEVAO-DYESRHJHSA-N	-1	3	378.453	4.705	50	10		GJCAHM
O=C1/C(=C/c2cc(Cl)ccc2[O-])SC(=S)N1CCCc1ccccc1	ZINC000001157150	206361433	/nfs/dbraw/zinc/36/14/33/206361433.db2.gz	DDQHMRWDLOQNGW-ATVHPVEESA-N	-1	3	389.929	4.880	50	10		GJCAHM
CC(=O)N1N=C(c2cc(Cl)ccc2[O-])C[C@H]1c1ccc(Br)cc1	ZINC000006262342	570353211	/nfs/dbraw/zinc/35/32/11/570353211.db2.gz	SSANDLNEFUUDLW-INIZCTEOSA-N	-1	3	393.668	4.506	50	10		GJCAHM
COC(=O)c1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000005101945	570429135	/nfs/dbraw/zinc/42/91/35/570429135.db2.gz	HTEJFRYLADFIPX-NRFANRHFSA-N	-1	3	399.450	4.632	50	10		GJCAHM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(OC(F)(F)F)cc1	ZINC000006438799	570479856	/nfs/dbraw/zinc/47/98/56/570479856.db2.gz	YEMSGXDEFJQBEV-GZTJUZNOSA-N	-1	3	375.350	4.612	50	10		GJCAHM
CCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1c([O-])ccc2ccccc21	ZINC000002870204	570535756	/nfs/dbraw/zinc/53/57/56/570535756.db2.gz	HELAODKXWJARJK-HSZRJFAPSA-N	-1	3	379.456	4.568	50	10	biogenic	GJCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc([N+](=O)[O-])cc3)c([O-])c2n1	ZINC000004755407	570539904	/nfs/dbraw/zinc/53/99/04/570539904.db2.gz	RPNDUXSAUMEQGW-HXUWFJFHSA-N	-1	3	386.411	4.754	50	10		GJCAHM
COc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000169681526	570602144	/nfs/dbraw/zinc/60/21/44/570602144.db2.gz	BMDJLOSFWJNEDS-CVDCTZTESA-N	-1	3	390.414	4.782	50	10		GJCAHM
O=[N+]([O-])c1cccc([C@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2[O-])c1	ZINC000036347327	570628772	/nfs/dbraw/zinc/62/87/72/570628772.db2.gz	NQSJOIHMGZSYPS-NRFANRHFSA-N	-1	3	397.862	4.751	50	10		GJCAHM
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(Br)c2C(C)C)cc1	ZINC000000947567	570734608	/nfs/dbraw/zinc/73/46/08/570734608.db2.gz	FCCSIHXPWIXCGW-UHFFFAOYSA-N	-1	3	398.322	4.696	50	10		GJCAHM
CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)N=C2C)cc(Cl)c1[O-]	ZINC000005719379	570891555	/nfs/dbraw/zinc/89/15/55/570891555.db2.gz	CGTBFYBJTHFBTB-LICLKQGHSA-N	-1	3	384.863	4.813	50	10		GJCAHM