smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc2c(c1)[C@H](N1CC[NH+](C)CC1)Cc1cc(Br)ccc1S2	ZINC000022789105	519840705	/nfs/dbraw/zinc/84/07/05/519840705.db2.gz	HWDSCUATKOWAFA-HXUWFJFHSA-N	1	0	431.443	5.568	50	10		IKCARO
CN1c2ccc([N+](=O)[O-])cc2C(C)(C)/C1=C/C=C/C1=[N+](C)c2ccc([N+](=O)[O-])cc2C1(C)C	ZINC000012524066	524032978	/nfs/dbraw/zinc/03/29/78/524032978.db2.gz	DBRJWSQBGGFSKT-UHFFFAOYSA-N	1	0	447.515	5.377	50	10		IKCARO
COc1ccccc1C(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000034683383	524340310	/nfs/dbraw/zinc/34/03/10/524340310.db2.gz	BMDGUNJCXNCHKA-UHFFFAOYSA-N	1	0	430.548	5.021	50	10		IKCARO
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000020998103	527141057	/nfs/dbraw/zinc/14/10/57/527141057.db2.gz	HGBLEEKFVQMTSH-UHFFFAOYSA-N	1	0	427.504	5.051	50	10		IKCARO
COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1	ZINC000034682804	555817130	/nfs/dbraw/zinc/81/71/30/555817130.db2.gz	CPLACMNSRSFEQQ-UHFFFAOYSA-N	1	0	443.591	5.073	50	10		IKCARO
CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1	ZINC000034683086	555818076	/nfs/dbraw/zinc/81/80/76/555818076.db2.gz	SMWKDOOZRYKWBY-UHFFFAOYSA-N	1	0	441.619	5.626	50	10		IKCARO
COc1cccc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(F)cc3)CC2)c1O	ZINC000034683204	555818433	/nfs/dbraw/zinc/81/84/33/555818433.db2.gz	MBPUXJIZDXPWPF-UHFFFAOYSA-N	1	0	448.538	5.160	50	10		IKCARO
COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)cc3)CC2)c1O	ZINC000034683320	555818718	/nfs/dbraw/zinc/81/87/18/555818718.db2.gz	ULEJOMFFUGQOJS-UHFFFAOYSA-N	1	0	430.548	5.021	50	10		IKCARO
COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(F)cc3)CC2)c(O)c1	ZINC000034683568	555819074	/nfs/dbraw/zinc/81/90/74/555819074.db2.gz	MPOPKGICCFHDPH-UHFFFAOYSA-N	1	0	448.538	5.160	50	10		IKCARO
CN(C)c1ccc([C@@H]([NH+]2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1	ZINC000004187816	555974767	/nfs/dbraw/zinc/97/47/67/555974767.db2.gz	WSXIGQHISJGPMG-DEOSSOPVSA-N	1	0	432.593	5.402	50	10		IKCARO
COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1c(O)ccc3ccccc31)CC2	ZINC000013073391	556454348	/nfs/dbraw/zinc/45/43/48/556454348.db2.gz	DKBOUTGJTQJYSO-NDEPHWFRSA-N	1	0	425.528	5.710	50	10		IKCARO
CCOc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1O	ZINC000015070449	556495351	/nfs/dbraw/zinc/49/53/51/556495351.db2.gz	QURBKXHDSIQEOM-QGZVFWFLSA-N	1	0	445.485	5.579	50	10		IKCARO
CCOc1ccc2[nH+]c3cc(NC(=O)c4ccccc4Br)ccc3c(N)c2c1	ZINC000015746137	556548100	/nfs/dbraw/zinc/54/81/00/556548100.db2.gz	PQIYPSYMGKVSAH-UHFFFAOYSA-N	1	0	436.309	5.384	50	10		IKCARO
CN1c2ccc(-c3nc4ccccc4s3)cc2S/C1=C\c1cc[n+](C)c2ccccc12	ZINC000038475938	556612653	/nfs/dbraw/zinc/61/26/53/556612653.db2.gz	ICWODGMYUKYVIT-UHFFFAOYSA-N	1	0	438.601	6.482	50	10		IKCARO
COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1O	ZINC000042942878	556660083	/nfs/dbraw/zinc/66/00/83/556660083.db2.gz	BYVIUVFLQOEUMC-MRXNPFEDSA-N	1	0	431.458	5.189	50	10		IKCARO
COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1O	ZINC000042942875	556660207	/nfs/dbraw/zinc/66/02/07/556660207.db2.gz	BYVIUVFLQOEUMC-INIZCTEOSA-N	1	0	431.458	5.189	50	10		IKCARO
CC(C)C(=O)N(C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1cccc(F)c1)C(C)C	ZINC000248157196	556669787	/nfs/dbraw/zinc/66/97/87/556669787.db2.gz	ZOJNKXBHUINZCU-OZXSUGGESA-N	1	0	439.619	5.000	50	10		IKCARO
Cc1oc2ccc(O)c(C[N@H+]3CCCC[C@@H]3C)c2c1C(=O)Nc1cccc(Cl)c1C	ZINC000005182559	556722621	/nfs/dbraw/zinc/72/26/21/556722621.db2.gz	DUQJXYCJYIKCIP-AWEZNQCLSA-N	1	0	426.944	6.035	50	10		IKCARO
O=C(NCC[NH+]1CCCC1)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1	ZINC000033114841	556861759	/nfs/dbraw/zinc/86/17/59/556861759.db2.gz	NVLCTWMXWUCMIS-UHFFFAOYSA-N	1	0	445.582	5.378	50	10		IKCARO
CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730237	557369535	/nfs/dbraw/zinc/36/95/35/557369535.db2.gz	AOENXCFCECBJAP-PGRDOPGGSA-N	1	0	447.019	5.191	50	10	biogenic	IKCARO
CCC(/C=C1/Sc2cc(OC)ccc2N1C)=C/c1sc2cc(OC)ccc2[n+]1C	ZINC000685944466	557839064	/nfs/dbraw/zinc/83/90/64/557839064.db2.gz	OWMSGQYVTFXRIS-UHFFFAOYSA-N	1	0	425.599	5.620	50	10		IKCARO
COc1ccccc1[C@H](CC[NH2+]Cc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1	ZINC000001823708	562924822	/nfs/dbraw/zinc/92/48/22/562924822.db2.gz	WYBNNZDNQBJYIZ-AREMUKBSSA-N	1	0	432.608	5.860	50	10	biogenic	IKCARO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[NH+]4CCC(C)CC4)c32)cc1Cl	ZINC000008612144	562958980	/nfs/dbraw/zinc/95/89/80/562958980.db2.gz	SBGIUSDIIXYEGS-UHFFFAOYSA-N	1	0	442.943	5.593	50	10		IKCARO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@@H+]4CCC[C@H](C)C4)c32)cc1Cl	ZINC000008612132	562959029	/nfs/dbraw/zinc/95/90/29/562959029.db2.gz	ZHSGQVLTFASPHA-AWEZNQCLSA-N	1	0	442.943	5.593	50	10		IKCARO
Cc1oc2ccc(O)c(C[N@H+](C)Cc3ccccc3)c2c1C(=O)Nc1cccc(Cl)c1C	ZINC000008612206	562959064	/nfs/dbraw/zinc/95/90/64/562959064.db2.gz	FBSPXSVZUCRMJH-UHFFFAOYSA-N	1	0	448.950	6.293	50	10	aggregator	IKCARO
CC1CC[NH+]([C@@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1	ZINC000001802392	568908564	/nfs/dbraw/zinc/90/85/64/568908564.db2.gz	SOTUJWYFSNNWKL-SANMLTNESA-N	1	0	436.684	6.875	50	10		IKCARO
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1	ZINC000057316915	569430968	/nfs/dbraw/zinc/43/09/68/569430968.db2.gz	FHTHNPSINGICMV-ARMFNRFLSA-N	1	0	427.032	6.055	50	10		IKCARO
CSc1ccccc1NC(=O)C[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21	ZINC000003338189	569446714	/nfs/dbraw/zinc/44/67/14/569446714.db2.gz	QHYBRJKMBJXNSG-UHFFFAOYSA-N	1	0	445.382	5.100	50	10		IKCARO
COc1cc2cccnc2c(N[C@H](C)CCCNc2c3ccccc3[nH+]c3ccccc32)c1	ZINC000031847500	569458137	/nfs/dbraw/zinc/45/81/37/569458137.db2.gz	QNJMGYLKKDFDOQ-LJQANCHMSA-N	1	0	436.559	6.638	50	10		IKCARO
COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccccc3O)CC2)c1	ZINC000040416074	569502271	/nfs/dbraw/zinc/50/22/71/569502271.db2.gz	FHTGYXHLURXFOK-UHFFFAOYSA-N	1	0	430.548	5.021	50	10		IKCARO
COc1cc(C2SCCS2)cc(C[N@H+](C)Cc2ccccc2N2CCCCC2)c1O	ZINC000009647945	569556476	/nfs/dbraw/zinc/55/64/76/569556476.db2.gz	QTVJHIKFASJSOZ-UHFFFAOYSA-N	1	0	444.666	5.502	50	10		IKCARO
CCCCC[n+]1c(/C=C2\Sc3cc(NC(C)=O)ccc3N2CC)ccc2ccccc21	ZINC000020807358	520321203	/nfs/dbraw/zinc/32/12/03/520321203.db2.gz	WSBYCXBTFZXTEX-UHFFFAOYSA-O	1	0	432.613	6.207	50	10		IKCARO
CCOc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1O	ZINC000012466773	521335882	/nfs/dbraw/zinc/33/58/82/521335882.db2.gz	SAKLAERAIFIIHH-UHFFFAOYSA-N	1	0	448.538	5.448	50	10		IKCARO
COc1cc2c(cc1OC)C[N@H+](Cc1cc(-c3nc4ccccc4s3)ccc1O)CC2	ZINC000012328846	523033236	/nfs/dbraw/zinc/03/32/36/523033236.db2.gz	ZAARZCNXLVXRNU-UHFFFAOYSA-N	1	0	432.545	5.244	50	10		IKCARO
Cc1cc(CN2CC[NH+](Cc3cc(C)cc(C(C)(C)C)c3O)CC2)c(O)c(C(C)(C)C)c1	ZINC000020469859	524697820	/nfs/dbraw/zinc/69/78/20/524697820.db2.gz	RVOMIZMHTFTDIE-UHFFFAOYSA-N	1	0	438.656	5.627	50	10		IKCARO
COc1cccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1O	ZINC000012717046	525937453	/nfs/dbraw/zinc/93/74/53/525937453.db2.gz	QWPLLJKIHAAMEE-MRXNPFEDSA-N	1	0	436.474	5.051	50	10		IKCARO
Cc1cc(/C=C2\Sc3ccccc3N2Cc2ccccc2)cc(C)[n+]1CCc1ccccc1	ZINC000013051244	526094242	/nfs/dbraw/zinc/09/42/42/526094242.db2.gz	QEQBHLOYYFXCLF-UHFFFAOYSA-N	1	0	449.643	6.945	50	10		IKCARO
Cc1cc(=O)oc2c1ccc1c(O)c([C@@H](c3ccc4c(c3)OCO4)[NH+]3CCCCC3)ccc12	ZINC000012444970	526145818	/nfs/dbraw/zinc/14/58/18/526145818.db2.gz	YZBVOKVEKLNDKS-RUZDIDTESA-N	1	0	443.499	5.264	50	10		IKCARO
Cc1cc(=O)oc2c1ccc1c(O)c([C@H](c3ccc4c(c3)OCO4)[NH+]3CCCCC3)ccc12	ZINC000012444973	526146734	/nfs/dbraw/zinc/14/67/34/526146734.db2.gz	YZBVOKVEKLNDKS-VWLOTQADSA-N	1	0	443.499	5.264	50	10		IKCARO
Cc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](Cc3ccccc3O)CC2)c1	ZINC000034683648	555819083	/nfs/dbraw/zinc/81/90/83/555819083.db2.gz	CVAMIVLLSZCDKF-UHFFFAOYSA-N	1	0	432.539	5.460	50	10		IKCARO
COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)c1O	ZINC000034683637	555819104	/nfs/dbraw/zinc/81/91/04/555819104.db2.gz	OXYVOQGIPMIAQP-UHFFFAOYSA-N	1	0	448.538	5.160	50	10		IKCARO
CC(C)C(=O)N(C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(F)c1)C(C)C	ZINC000034740806	555884035	/nfs/dbraw/zinc/88/40/35/555884035.db2.gz	ZOJNKXBHUINZCU-ZEQKJWHPSA-N	1	0	439.619	5.000	50	10		IKCARO
CN(C)c1ccc([C@H]([NH+]2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1	ZINC000004575597	556002326	/nfs/dbraw/zinc/00/23/26/556002326.db2.gz	UKRLTVSHGLFKQM-RNAHPLFWSA-N	1	0	425.557	5.327	50	10		IKCARO
COc1ccccc1C(=O)Nc1cccc(N2CCC([NH2+]Cc3ccccc3C)CC2)c1	ZINC000011841950	556365484	/nfs/dbraw/zinc/36/54/84/556365484.db2.gz	YUWOITMUGJXOPS-UHFFFAOYSA-N	1	0	429.564	5.015	50	10		IKCARO
O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000011938303	556379930	/nfs/dbraw/zinc/37/99/30/556379930.db2.gz	SMCOOOYSEWGAID-UHFFFAOYSA-N	1	0	437.927	5.084	50	10		IKCARO
CCOc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1O	ZINC000015070451	556495295	/nfs/dbraw/zinc/49/52/95/556495295.db2.gz	QURBKXHDSIQEOM-KRWDZBQOSA-N	1	0	445.485	5.579	50	10		IKCARO
COc1ccc(N2CCC([NH+]3CCC(CCC(=O)Nc4cccc(C)c4)CC3)CC2)cc1	ZINC000015072602	556497058	/nfs/dbraw/zinc/49/70/58/556497058.db2.gz	RGKJWVCOFCFICI-UHFFFAOYSA-N	1	0	435.612	5.103	50	10		IKCARO
O=C1C[C@@H]([NH2+]CCc2ccccc2Cl)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000100712896	556655755	/nfs/dbraw/zinc/65/57/55/556655755.db2.gz	JWAXWRVXTDHQLG-MWHYSOGASA-N	1	0	432.911	5.220	50	10		IKCARO
O=C1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000100712917	556655926	/nfs/dbraw/zinc/65/59/26/556655926.db2.gz	CQPWLBYKHZTCNH-MWHYSOGASA-N	1	0	432.911	5.220	50	10		IKCARO
O=C1C[C@H]([NH2+]CCc2ccccc2Cl)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000100712892	556655947	/nfs/dbraw/zinc/65/59/47/556655947.db2.gz	JWAXWRVXTDHQLG-HEIIZWRGSA-N	1	0	432.911	5.220	50	10		IKCARO
O=C1C[C@@H]([NH2+]CCc2cccc(Cl)c2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000100712912	556655996	/nfs/dbraw/zinc/65/59/96/556655996.db2.gz	YKHKGFIGRGWELI-MWHYSOGASA-N	1	0	432.911	5.220	50	10		IKCARO
Cc1oc2ccc(O)c(C[N@H+]3CCCC[C@H]3C)c2c1C(=O)Nc1cccc(Cl)c1C	ZINC000005182562	556722537	/nfs/dbraw/zinc/72/25/37/556722537.db2.gz	DUQJXYCJYIKCIP-CQSZACIVSA-N	1	0	426.944	6.035	50	10		IKCARO
Cc1oc2ccc(O)c(C[N@H+]3CCC[C@@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C	ZINC000005182612	556722576	/nfs/dbraw/zinc/72/25/76/556722576.db2.gz	KOVODEPKOKLRNT-CQSZACIVSA-N	1	0	426.944	5.893	50	10		IKCARO
CCOc1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1O	ZINC000055060501	556733189	/nfs/dbraw/zinc/73/31/89/556733189.db2.gz	MVACPMURBDJARJ-QHCPKHFHSA-N	1	0	437.628	5.233	50	10		IKCARO
COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1c(O)ccc3ccncc31)CC2	ZINC000024527566	557149998	/nfs/dbraw/zinc/14/99/98/557149998.db2.gz	QYNQDUWCFQODRA-HHHXNRCGSA-N	1	0	426.516	5.105	50	10		IKCARO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@@H+]4CCC[C@@H](C)C4)c32)cc1Cl	ZINC000008612133	562958986	/nfs/dbraw/zinc/95/89/86/562958986.db2.gz	ZHSGQVLTFASPHA-CQSZACIVSA-N	1	0	442.943	5.593	50	10		IKCARO
CC[N@H+](Cc1ccccc1)Cc1c2c(ccc1O)oc(C)c2C(=O)Nc1ccc(C)cc1C	ZINC000008612208	562959056	/nfs/dbraw/zinc/95/90/56/562959056.db2.gz	OBAHQNLKKZTYLW-UHFFFAOYSA-N	1	0	442.559	6.338	50	10		IKCARO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[NH+]4CCCCCC4)c32)cc1Cl	ZINC000008612186	562959079	/nfs/dbraw/zinc/95/90/79/562959079.db2.gz	CRMXJRFXDUOECF-UHFFFAOYSA-N	1	0	442.943	5.737	50	10	aggregator	IKCARO
CC[n+]1c(/C=C(/C=C2\C=Cc3ccccc3N2CC)c2ccccc2)sc2ccccc21	ZINC000085391546	568816723	/nfs/dbraw/zinc/81/67/23/568816723.db2.gz	ZAPLDGDBCUFWAJ-UHFFFAOYSA-N	1	0	435.616	7.187	50	10		IKCARO
CN(C)c1ccc(C[NH2+]CC[C@@H](Cc2ccccc2Cl)c2ccc(Cl)cc2)cc1	ZINC000006672321	568946824	/nfs/dbraw/zinc/94/68/24/568946824.db2.gz	OQZFNXSOUBXBTR-NRFANRHFSA-N	1	0	427.419	6.566	50	10		IKCARO
CCCC[N@H+](C)Cc1c([O-])ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc21	ZINC000002131421	569184911	/nfs/dbraw/zinc/18/49/11/569184911.db2.gz	RWZJUHUXGRRCHG-UHFFFAOYSA-N	1	0	439.895	5.157	50	10	biogenic	IKCARO
CCN1C(=Cc2ccc3cc(C)ccc3[n+]2C)SC(c2ccccc2)=C1c1ccccc1	ZINC000020060123	569332972	/nfs/dbraw/zinc/33/29/72/569332972.db2.gz	KYMDJODQERZNGL-UHFFFAOYSA-N	1	0	435.616	7.202	50	10		IKCARO
Oc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NC2(CC[NH+](Cc3ccccc3)CC2)N1	ZINC000080324926	569362293	/nfs/dbraw/zinc/36/22/93/569362293.db2.gz	AORGQCQAKHXIQC-RUZDIDTESA-N	1	0	429.539	5.047	50	10		IKCARO
COc1cc2cccnc2c(N[C@@H](C)CCCNc2c3ccccc3[nH+]c3ccccc32)c1	ZINC000031847498	569458126	/nfs/dbraw/zinc/45/81/26/569458126.db2.gz	QNJMGYLKKDFDOQ-IBGZPJMESA-N	1	0	436.559	6.638	50	10		IKCARO
Cc1oc2ccc(O)c(C[N@H+]3CCC[C@H](C)C3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000008717868	569471176	/nfs/dbraw/zinc/47/11/76/569471176.db2.gz	ZBNYQXNSNSVCTO-AWEZNQCLSA-N	1	0	446.469	5.950	50	10		IKCARO
COc1cccc2c(O)c([C@H](c3cc(OC)c(OC)c(OC)c3)[NH+]3CCCCC3)ccc12	ZINC000008990171	569495010	/nfs/dbraw/zinc/49/50/10/569495010.db2.gz	IRUZPHLEUCAWSQ-DEOSSOPVSA-N	1	0	437.536	5.155	50	10		IKCARO
O=C1c2ccccc2-c2onc3c2c1c(NCC[NH+]1CCCCC1)cc3N1CCCCCC1	ZINC000009641528	569555685	/nfs/dbraw/zinc/55/56/85/569555685.db2.gz	ONZPHKCWLFBRKG-UHFFFAOYSA-N	1	0	444.579	5.317	50	10		IKCARO
CCOC(=O)c1c(C)sc2c1N(C(=O)C[NH+](CC)CC)c1cc(Cl)ccc1S2	ZINC000008453944	132282411	/nfs/dbraw/zinc/28/24/11/132282411.db2.gz	XCWZWVQOWUAVHN-UHFFFAOYSA-N	1	0	439.002	5.358	50	10		IKCARO
CC(C)Nc1cc(N2CC[NH+](C3CCCCC3)CC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000008603412	132286730	/nfs/dbraw/zinc/28/67/30/132286730.db2.gz	IZZADQISBIXZEX-UHFFFAOYSA-N	1	0	444.579	5.314	50	10		IKCARO
O=C1c2ccccc2-c2onc3c2c1c(NCC[NH+]1CCCCCC1)cc3N1CCCCC1	ZINC000009641346	132324347	/nfs/dbraw/zinc/32/43/47/132324347.db2.gz	KIBWNCFYYFSUHN-UHFFFAOYSA-N	1	0	444.579	5.317	50	10		IKCARO
CCOP(=O)(OCC)c1ccc2c(c1)sc(/C=C/c1ccc(N(C)C)cc1)[n+]2CC	ZINC000012524061	520241981	/nfs/dbraw/zinc/24/19/81/520241981.db2.gz	FWTLSQSBDFXBGE-UHFFFAOYSA-N	1	0	445.545	5.337	50	10		IKCARO
CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C	ZINC000035829180	520635760	/nfs/dbraw/zinc/63/57/60/520635760.db2.gz	SGPUBVUGQLMGQP-FQEVSTJZSA-N	1	0	435.587	5.832	50	10		IKCARO
Cc1cc(/C=C2\Sc3ccccc3N2Cc2ccccc2)cc(C)[n+]1Cc1ccncc1	ZINC000013051248	526093387	/nfs/dbraw/zinc/09/33/87/526093387.db2.gz	BALWVSAHKGAPCI-UHFFFAOYSA-N	1	0	436.604	6.145	50	10		IKCARO
CCC[NH+]1CCN(c2cc(NC3CCCCC3)c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000009641717	534931158	/nfs/dbraw/zinc/93/11/58/534931158.db2.gz	JXOOZQDTIVQGDV-UHFFFAOYSA-N	1	0	444.579	5.316	50	10		IKCARO
CN(C)c1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000034682554	555816735	/nfs/dbraw/zinc/81/67/35/555816735.db2.gz	SJGPKKUOHCWZGK-UHFFFAOYSA-N	1	0	449.545	5.342	50	10		IKCARO
Cc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1	ZINC000034683004	555818107	/nfs/dbraw/zinc/81/81/07/555818107.db2.gz	JYSHGJHREYKEKV-UHFFFAOYSA-N	1	0	441.619	5.681	50	10		IKCARO
COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(C)cc3)CC2)c1O	ZINC000034683329	555818689	/nfs/dbraw/zinc/81/86/89/555818689.db2.gz	NVJWEYJSXAQBBC-UHFFFAOYSA-N	1	0	448.538	5.160	50	10		IKCARO
COc1cccc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(C)cc3)CC2)c1O	ZINC000034683360	555818781	/nfs/dbraw/zinc/81/87/81/555818781.db2.gz	OIPCSFIRGVLBEK-UHFFFAOYSA-N	1	0	444.575	5.329	50	10		IKCARO
Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@@H]2CN(C(=O)C(C)C)C(C)C)cc1	ZINC000034740722	555884072	/nfs/dbraw/zinc/88/40/72/555884072.db2.gz	FOGLDXPNOFDSBR-VPUSJEBWSA-N	1	0	435.656	5.170	50	10		IKCARO
COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1O	ZINC000011761707	556349422	/nfs/dbraw/zinc/34/94/22/556349422.db2.gz	BRTBQUGVCSLUQR-UHFFFAOYSA-N	1	0	434.511	5.058	50	10		IKCARO
CCOc1cccc(C[NH+]2CCC(c3n[nH]cc3-c3ccc4ccccc4c3)CC2)c1O	ZINC000011912172	556375270	/nfs/dbraw/zinc/37/52/70/556375270.db2.gz	XBPGUHOYFCZRGZ-UHFFFAOYSA-N	1	0	427.548	5.714	50	10		IKCARO
COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1c(O)ccc3ccccc31)CC2	ZINC000013073393	556454408	/nfs/dbraw/zinc/45/44/08/556454408.db2.gz	DKBOUTGJTQJYSO-MUUNZHRXSA-N	1	0	425.528	5.710	50	10		IKCARO
COc1ccc(OC)c(-c2ccc(O)c(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)c1	ZINC000055133825	556735704	/nfs/dbraw/zinc/73/57/04/556735704.db2.gz	QZPRZLPFGFRGKD-UHFFFAOYSA-N	1	0	438.955	5.052	50	10		IKCARO
Cc1cc(C[NH+]2CCN(c3ccccc3F)CC2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000055142251	556735962	/nfs/dbraw/zinc/73/59/62/556735962.db2.gz	ZLGFNHBKNRFLAF-UHFFFAOYSA-N	1	0	431.477	5.574	50	10		IKCARO
CN(C)c1ccc(C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1	ZINC000020431986	557016225	/nfs/dbraw/zinc/01/62/25/557016225.db2.gz	NKWWPKOVJCNIIX-QFIPXVFZSA-N	1	0	432.511	5.860	50	10		IKCARO
Oc1ccc2ccccc2c1C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000022920380	557047312	/nfs/dbraw/zinc/04/73/12/557047312.db2.gz	ZQAMGSHTRHRSLM-UHFFFAOYSA-N	1	0	444.525	5.731	50	10		IKCARO
Cc1oc2ccc(O)c(C[N@H+](C)Cc3ccccc3)c2c1C(=O)Nc1ccc(C)cc1C	ZINC000008612190	562959090	/nfs/dbraw/zinc/95/90/90/562959090.db2.gz	XFIMPNBQYIHSLM-UHFFFAOYSA-N	1	0	428.532	5.948	50	10		IKCARO
CCCCOCc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)c2ncccc12	ZINC000058085643	563143385	/nfs/dbraw/zinc/14/33/85/563143385.db2.gz	JTEIZLNHKDCCQG-UHFFFAOYSA-N	1	0	439.987	5.233	50	10		IKCARO
CC1CC[NH+]([C@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1	ZINC000001802394	568908471	/nfs/dbraw/zinc/90/84/71/568908471.db2.gz	SOTUJWYFSNNWKL-AREMUKBSSA-N	1	0	436.684	6.875	50	10		IKCARO
CCN1C(c2ccccc2)=C(C)S/C1=C\c1ccc2cc(-c3ccccc3)ccc2[n+]1C	ZINC000003656595	569455814	/nfs/dbraw/zinc/45/58/14/569455814.db2.gz	CKIKDFNGZDUCKX-UHFFFAOYSA-N	1	0	435.616	7.087	50	10		IKCARO
CCC[N@H+](CC[C@]1(c2ccc(OC)cc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1	ZINC000003999352	569457585	/nfs/dbraw/zinc/45/75/85/569457585.db2.gz	XZMRTMSMRYDEJS-NDEPHWFRSA-N	1	0	438.656	5.890	50	10	biogenic	IKCARO
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(-c4ccc(N)cc4)cc3)c2c1	ZINC000008383297	569462695	/nfs/dbraw/zinc/46/26/95/569462695.db2.gz	OJOCCYWNNCPWIO-UHFFFAOYSA-N	1	0	425.919	7.043	50	10		IKCARO
Cc1oc2ccc(O)c(C[NH+]3CCC(C)CC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000008717870	569471198	/nfs/dbraw/zinc/47/11/98/569471198.db2.gz	CSEXFKBCUJAUMQ-UHFFFAOYSA-N	1	0	446.469	5.950	50	10		IKCARO
COc1cccc2c(O)c([C@@H](c3cc(OC)c(OC)c(OC)c3)[NH+]3CCCCC3)ccc12	ZINC000008990170	569495033	/nfs/dbraw/zinc/49/50/33/569495033.db2.gz	IRUZPHLEUCAWSQ-XMMPIXPASA-N	1	0	437.536	5.155	50	10		IKCARO
CCCC[N@H+](C)CCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	ZINC000009406150	569530016	/nfs/dbraw/zinc/53/00/16/569530016.db2.gz	DSBPTJNOYHHTOH-UHFFFAOYSA-N	1	0	443.635	5.875	50	10		IKCARO
COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1	ZINC000012758796	524736841	/nfs/dbraw/zinc/73/68/41/524736841.db2.gz	QNXRKVGJHFALAC-UHFFFAOYSA-N	1	0	434.511	5.058	50	10		IKCARO
Oc1cc2c(cc1C[NH+]1CCN(C(c3ccccc3)c3ccccc3)CC1)oc1ccccc12	ZINC000022030374	526335069	/nfs/dbraw/zinc/33/50/69/526335069.db2.gz	VLYDRZCQWUQXCB-UHFFFAOYSA-N	1	0	448.566	6.199	50	10		IKCARO
Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1	ZINC000034682948	555817779	/nfs/dbraw/zinc/81/77/79/555817779.db2.gz	ZTVXXDSFRJDIOA-UHFFFAOYSA-N	1	0	441.619	5.681	50	10		IKCARO
COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1	ZINC000034683151	555818412	/nfs/dbraw/zinc/81/84/12/555818412.db2.gz	IAMAJJOXRDBARO-UHFFFAOYSA-N	1	0	449.620	5.134	50	10		IKCARO
COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccccc3O)CC2)cc1	ZINC000034683231	555818469	/nfs/dbraw/zinc/81/84/69/555818469.db2.gz	BZEBHXHYDDKBKV-UHFFFAOYSA-N	1	0	430.548	5.021	50	10		IKCARO
COc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccccc3O)CC2)cc1	ZINC000034683299	555818797	/nfs/dbraw/zinc/81/87/97/555818797.db2.gz	MBMCMIUXTKOPCP-UHFFFAOYSA-N	1	0	430.548	5.021	50	10		IKCARO
COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000034683342	555818809	/nfs/dbraw/zinc/81/88/09/555818809.db2.gz	GQTMBHOVQUYSME-UHFFFAOYSA-N	1	0	430.548	5.021	50	10		IKCARO
CCCCCN1c2ccccc2S/C1=C/C=C\c1sc2ccccc2[n+]1CCCCC	ZINC000005608181	556060384	/nfs/dbraw/zinc/06/03/84/556060384.db2.gz	ODOUQJUJWAJQKN-UHFFFAOYSA-N	1	0	449.709	8.036	50	10		IKCARO
COc1ccc(Oc2cc(NCCC[NH+](C)C)c3c4c2noc4-c2ccccc2C3=O)cc1	ZINC000009409927	556288092	/nfs/dbraw/zinc/28/80/92/556288092.db2.gz	DYBGFZIHDMBQDO-UHFFFAOYSA-N	1	0	443.503	5.204	50	10		IKCARO
Cc1nc2cc(NC(=O)[C@@H]3CC34CC[NH+](Cc3cc(Cl)ccc3O)CC4)ccc2s1	ZINC000011996200	556384177	/nfs/dbraw/zinc/38/41/77/556384177.db2.gz	FVSQBZJNHCRBLM-SFHVURJKSA-N	1	0	441.984	5.205	50	10		IKCARO
COc1ccccc1[C@H](c1ccc2c(ccc3c(C)cc(=O)oc32)c1O)[NH+]1CCCCC1	ZINC000013570838	556521934	/nfs/dbraw/zinc/52/19/34/556521934.db2.gz	CVHNTMFQJPDTQC-RUZDIDTESA-N	1	0	429.516	5.544	50	10		IKCARO
O=C1C[C@H]([NH2+]CCc2cccc(Cl)c2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000100712911	556655955	/nfs/dbraw/zinc/65/59/55/556655955.db2.gz	YKHKGFIGRGWELI-HEIIZWRGSA-N	1	0	432.911	5.220	50	10		IKCARO
Cc1cc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000055142257	556735994	/nfs/dbraw/zinc/73/59/94/556735994.db2.gz	VBKCVOUNRBPBIT-UHFFFAOYSA-N	1	0	441.541	6.052	50	10		IKCARO
CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CC[NH+](C)CC2)cc1	ZINC000019367190	556746391	/nfs/dbraw/zinc/74/63/91/556746391.db2.gz	GEJZABYVUPBRRP-VWLOTQADSA-N	1	0	437.672	5.390	50	10		IKCARO
CCOc1ccc(-n2c(C)c(C(=O)NCC[NH+]3CCCCC3)cc2-c2ccccc2)cc1	ZINC000004631012	556807903	/nfs/dbraw/zinc/80/79/03/556807903.db2.gz	PTJPXEWZSMXRIK-UHFFFAOYSA-N	1	0	431.580	5.067	50	10		IKCARO
Cc1cc(C[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC(C)C)c(O)c(C(C)(C)C)c1	ZINC000004686853	556879168	/nfs/dbraw/zinc/87/91/68/556879168.db2.gz	ZIQGZFCJRDPDKZ-UHFFFAOYSA-N	1	0	425.657	6.968	50	10		IKCARO
CCCC[NH+](CCCC)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21	ZINC000020230795	557001783	/nfs/dbraw/zinc/00/17/83/557001783.db2.gz	DFRHUOROTUSCKV-LGUFXXKBSA-N	1	0	442.607	6.307	50	10		IKCARO
CC(C)C(=O)N(C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1cccc(F)c1)C(C)C	ZINC000105050503	557474274	/nfs/dbraw/zinc/47/42/74/557474274.db2.gz	ZOJNKXBHUINZCU-BVAGGSTKSA-N	1	0	439.619	5.000	50	10		IKCARO
Cc1oc2ccc(O)c(C[NH+]3CCCCCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000008612188	562959070	/nfs/dbraw/zinc/95/90/70/562959070.db2.gz	IOAMOZLUVOVISJ-UHFFFAOYSA-N	1	0	446.469	6.094	50	10	aggregator	IKCARO
Cc1oc2ccc(O)c(C[N@H+]3CCCC[C@H]3C)c2c1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000008717867	569471221	/nfs/dbraw/zinc/47/12/21/569471221.db2.gz	CBZDVGFZHFVWHL-CQSZACIVSA-N	1	0	446.469	6.092	50	10		IKCARO
Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@H]2CN(C(=O)C(C)C)C(C)C)cc1	ZINC000245326510	569503629	/nfs/dbraw/zinc/50/36/29/569503629.db2.gz	FOGLDXPNOFDSBR-BDYUSTAISA-N	1	0	435.656	5.170	50	10		IKCARO
CCOc1ccc2[nH+]c3cc(NC(=O)c4cccc(Br)c4)ccc3c(N)c2c1	ZINC000009310791	569521776	/nfs/dbraw/zinc/52/17/76/569521776.db2.gz	WBWYUCDLQHTGJR-UHFFFAOYSA-N	1	0	436.309	5.384	50	10		IKCARO
Oc1cc2c(cc1C[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)oc1ccccc12	ZINC000013098209	132344569	/nfs/dbraw/zinc/34/45/69/132344569.db2.gz	KUDCFAFNQIGIAB-UHFFFAOYSA-N	1	0	426.438	5.633	50	10		IKCARO
CC(C)c1ccc2c(c1)[C@@H](N1CC[NH+](C)CC1)Cc1cc(Br)ccc1S2	ZINC000022789112	519840473	/nfs/dbraw/zinc/84/04/73/519840473.db2.gz	HWDSCUATKOWAFA-FQEVSTJZSA-N	1	0	431.443	5.568	50	10		IKCARO
CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C	ZINC000035829179	520628799	/nfs/dbraw/zinc/62/87/99/520628799.db2.gz	SGPUBVUGQLMGQP-HXUWFJFHSA-N	1	0	435.587	5.832	50	10		IKCARO
CN(C)c1ccc(/C=C/C[NH+]2CCC(n3c4ccccc4nc3[C@H]3CCCO3)CC2)cc1	ZINC000012218879	522127902	/nfs/dbraw/zinc/12/79/02/522127902.db2.gz	ZETGYYQNBINQSF-UJWGQFCKSA-N	1	0	430.596	5.304	50	10		IKCARO
Oc1ccc2cc(Br)ccc2c1C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000012630933	526354685	/nfs/dbraw/zinc/35/46/85/526354685.db2.gz	MPSRQUUQYGYZSG-UHFFFAOYSA-N	1	0	431.761	5.284	50	10		IKCARO
Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1	ZINC000034682766	555817106	/nfs/dbraw/zinc/81/71/06/555817106.db2.gz	NYYIVRDXCHJJSM-UHFFFAOYSA-N	1	0	445.582	5.512	50	10		IKCARO
CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3O)CC2)cc1	ZINC000034683387	555818770	/nfs/dbraw/zinc/81/87/70/555818770.db2.gz	NFFKSCDRSHPUMY-UHFFFAOYSA-N	1	0	432.539	5.405	50	10		IKCARO
Cc1ccc([C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@@H]2CN(C(=O)C(C)C)C(C)C)cc1	ZINC000034740723	555884030	/nfs/dbraw/zinc/88/40/30/555884030.db2.gz	FOGLDXPNOFDSBR-XNMGPUDCSA-N	1	0	435.656	5.170	50	10		IKCARO
CCOC(=O)c1c2c(ccc(O)c2C[NH+](C)C)n(Cc2ccccc2)c1-c1ccccc1	ZINC000003646708	555943993	/nfs/dbraw/zinc/94/39/93/555943993.db2.gz	ALRVRMJGXNESMJ-UHFFFAOYSA-N	1	0	428.532	5.301	50	10		IKCARO
CN(C)c1ccc([C@H]([NH+]2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1	ZINC000004575602	556002261	/nfs/dbraw/zinc/00/22/61/556002261.db2.gz	UKRLTVSHGLFKQM-FYBSXPHGSA-N	1	0	425.557	5.327	50	10		IKCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1	ZINC000014997527	556478705	/nfs/dbraw/zinc/47/87/05/556478705.db2.gz	NLIGNKKAIYPFNJ-MRXNPFEDSA-N	1	0	431.458	5.189	50	10		IKCARO
O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000015073393	556497814	/nfs/dbraw/zinc/49/78/14/556497814.db2.gz	GUBWNUIPFTZVRT-UHFFFAOYSA-N	1	0	425.532	5.391	50	10		IKCARO
CCC(=C\c1sc2ccc(OC)cc2[n+]1C)/C=C1/Sc2ccc(OC)cc2N1C	ZINC000146056028	556707817	/nfs/dbraw/zinc/70/78/17/556707817.db2.gz	CNFIUNSPCXRCPW-UHFFFAOYSA-N	1	0	425.599	5.620	50	10		IKCARO
CCOc1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1O	ZINC000055060502	556733076	/nfs/dbraw/zinc/73/30/76/556733076.db2.gz	MVACPMURBDJARJ-HSZRJFAPSA-N	1	0	437.628	5.233	50	10		IKCARO
CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CC[NH+](C)CC2)cc1	ZINC000019367189	556746323	/nfs/dbraw/zinc/74/63/23/556746323.db2.gz	GEJZABYVUPBRRP-RUZDIDTESA-N	1	0	437.672	5.390	50	10		IKCARO
Oc1ccc(-c2nc3ccccc3s2)cc1C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000064120787	556822866	/nfs/dbraw/zinc/82/28/66/556822866.db2.gz	LQYDBAHRYLSRDL-UHFFFAOYSA-N	1	0	435.980	5.645	50	10		IKCARO
CN(C)c1ccc(C[N@@H+]2CCc3sccc3[C@H]2c2ccc(OC(F)(F)F)cc2)cc1	ZINC000020431988	557016193	/nfs/dbraw/zinc/01/61/93/557016193.db2.gz	NKWWPKOVJCNIIX-JOCHJYFZSA-N	1	0	432.511	5.860	50	10		IKCARO
COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1c(O)ccc3ccncc31)CC2	ZINC000024527563	557150170	/nfs/dbraw/zinc/15/01/70/557150170.db2.gz	QYNQDUWCFQODRA-MHZLTWQESA-N	1	0	426.516	5.105	50	10		IKCARO
CCC(=Cc1sc2ccc(Cl)cc2[n+]1C)/C=C1/Sc2ccc(Cl)cc2N1C	ZINC000001804376	562924762	/nfs/dbraw/zinc/92/47/62/562924762.db2.gz	HRJUIOPFVJSVSU-UHFFFAOYSA-N	1	0	434.437	6.910	50	10		IKCARO
CCCC[C@@H](CC)C[n+]1c(C)cc(C=C2Sc3ccc4ccccc4c3N2C)cc1C	ZINC000005978484	568739637	/nfs/dbraw/zinc/73/96/37/568739637.db2.gz	WIMNJILXZGLNPV-JOCHJYFZSA-N	1	0	431.669	7.602	50	10		IKCARO
Cc1cc2c(n1-c1ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc1)CCCC2	ZINC000006877881	569096191	/nfs/dbraw/zinc/09/61/91/569096191.db2.gz	XAHAWDGPDAXORD-UHFFFAOYSA-N	1	0	427.592	5.059	50	10		IKCARO
CC(=O)c1c(CSCc2ccccc2)n(-c2ccccc2)c2ccc(O)c(C[NH+](C)C)c21	ZINC000096576586	569401471	/nfs/dbraw/zinc/40/14/71/569401471.db2.gz	WMSKJGMSECHOFH-UHFFFAOYSA-N	1	0	444.600	6.034	50	10		IKCARO
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1	ZINC000057316911	569430914	/nfs/dbraw/zinc/43/09/14/569430914.db2.gz	FHTHNPSINGICMV-DMDYGQEQSA-N	1	0	427.032	6.055	50	10		IKCARO
Cc1oc2ccc(O)c(C[N@H+]3CCCC[C@@H]3C)c2c1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000008717866	569471210	/nfs/dbraw/zinc/47/12/10/569471210.db2.gz	CBZDVGFZHFVWHL-AWEZNQCLSA-N	1	0	446.469	6.092	50	10		IKCARO
O=c1[nH]c2ccccc2n1C1CC[NH+](CCC=C2c3ccccc3CCc3ccccc32)CC1	ZINC000039929440	569481924	/nfs/dbraw/zinc/48/19/24/569481924.db2.gz	FVWDJJPVEBBJNG-UHFFFAOYSA-N	1	0	449.598	5.587	50	10		IKCARO
Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)cc1)CCCC2	ZINC000009153308	569508069	/nfs/dbraw/zinc/50/80/69/569508069.db2.gz	OUTKFVZPVAYQAD-UHFFFAOYSA-N	1	0	443.635	5.695	50	10		IKCARO
CCCCN1c2ccccc2S/C1=C\C(C)=C\c1sc2ccccc2[n+]1CCCC	ZINC000141906960	569587457	/nfs/dbraw/zinc/58/74/57/569587457.db2.gz	KOANCRXXTUKVFI-UHFFFAOYSA-N	1	0	435.682	7.646	50	10		IKCARO
CC(C)(C)c1cc([C@H](c2c(O)ccc3ccccc32)[NH+]2CCOCC2)cc(C(C)(C)C)c1O	ZINC000020840406	519005714	/nfs/dbraw/zinc/00/57/14/519005714.db2.gz	NEARPYRYUBUGBV-AREMUKBSSA-N	1	0	447.619	6.268	50	10		IKCARO
CC(C)(C)c1cc([C@@H](c2c(O)ccc3ccccc32)[NH+]2CCOCC2)cc(C(C)(C)C)c1O	ZINC000020840409	519006330	/nfs/dbraw/zinc/00/63/30/519006330.db2.gz	NEARPYRYUBUGBV-SANMLTNESA-N	1	0	447.619	6.268	50	10		IKCARO
CCOc1ccc(-[n+]2c(C)cc(C=C3Sc4ccc5ccccc5c4N3C)cc2C)cc1	ZINC000012492020	521041169	/nfs/dbraw/zinc/04/11/69/521041169.db2.gz	JYHFCZHWNHZDJG-UHFFFAOYSA-N	1	0	439.604	6.989	50	10		IKCARO
COc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1O	ZINC000012717044	525938015	/nfs/dbraw/zinc/93/80/15/525938015.db2.gz	QWPLLJKIHAAMEE-INIZCTEOSA-N	1	0	436.474	5.051	50	10		IKCARO
O=c1c(=Cc2ccc(Cl)cc2Cl)sc2[s+]cc(-c3cccc([N+](=O)[O-])c3)n12	ZINC000001636019	555707398	/nfs/dbraw/zinc/70/73/98/555707398.db2.gz	WXOBMQBMVPTULF-APSNUPSMSA-N	1	0	436.321	5.705	50	10		IKCARO
CN(C)c1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)cc1	ZINC000034682644	555816769	/nfs/dbraw/zinc/81/67/69/555816769.db2.gz	PJELTSLXTORIJD-UHFFFAOYSA-N	1	0	449.545	5.342	50	10		IKCARO
Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1F	ZINC000034682727	555817151	/nfs/dbraw/zinc/81/71/51/555817151.db2.gz	XDGIPPWGFDOAJT-UHFFFAOYSA-N	1	0	445.582	5.512	50	10		IKCARO
O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000034683592	555819120	/nfs/dbraw/zinc/81/91/20/555819120.db2.gz	MKESISHOLNXWQQ-UHFFFAOYSA-N	1	0	438.930	5.496	50	10		IKCARO
CN(C)c1ccc([C@@H]([NH+]2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1	ZINC000004575594	556002235	/nfs/dbraw/zinc/00/22/35/556002235.db2.gz	UKRLTVSHGLFKQM-QCDSWUKFSA-N	1	0	425.557	5.327	50	10		IKCARO
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1	ZINC000013758406	556301161	/nfs/dbraw/zinc/30/11/61/556301161.db2.gz	FHTHNPSINGICMV-LGPLSSKUSA-N	1	0	427.032	6.055	50	10		IKCARO
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1	ZINC000013758403	556301189	/nfs/dbraw/zinc/30/11/89/556301189.db2.gz	FHTHNPSINGICMV-SKBVVQJISA-N	1	0	427.032	6.055	50	10		IKCARO
Cc1nc2cc(NC(=O)[C@H]3CC34CC[NH+](Cc3cc(Cl)ccc3O)CC4)ccc2s1	ZINC000011996201	556384116	/nfs/dbraw/zinc/38/41/16/556384116.db2.gz	FVSQBZJNHCRBLM-GOSISDBHSA-N	1	0	441.984	5.205	50	10		IKCARO
COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1	ZINC000015004794	556481075	/nfs/dbraw/zinc/48/10/75/556481075.db2.gz	ZRRDMCXBCVKPQL-MRXNPFEDSA-N	1	0	431.458	5.189	50	10		IKCARO
COc1ccc2[nH+]c3cc(Cl)ccc3c(N(C)CCc3ccc(OC)c(OC)c3)c2c1	ZINC000016043853	556578674	/nfs/dbraw/zinc/57/86/74/556578674.db2.gz	JSIGEHVKICPRGW-UHFFFAOYSA-N	1	0	436.939	5.746	50	10		IKCARO
O=C1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000100712913	556655873	/nfs/dbraw/zinc/65/58/73/556655873.db2.gz	CQPWLBYKHZTCNH-HEIIZWRGSA-N	1	0	432.911	5.220	50	10		IKCARO
CCC(CC)C(=O)N1CCC([NH2+]Cc2cc(C)n(-c3ccc(F)c(F)c3F)c2C)CC1	ZINC000058018658	556754247	/nfs/dbraw/zinc/75/42/47/556754247.db2.gz	ZMBHKDGNWUMHNR-UHFFFAOYSA-N	1	0	435.534	5.028	50	10		IKCARO
Cc1cc(CN2CC[NH+](Cc3ccccc3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000019608923	556831583	/nfs/dbraw/zinc/83/15/83/556831583.db2.gz	SUBVBEAVIGAVTH-UHFFFAOYSA-N	1	0	427.514	5.431	50	10		IKCARO
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[NH+](CC(C)C)CC(C)C)c2ccccc12	ZINC000101007368	557213269	/nfs/dbraw/zinc/21/32/69/557213269.db2.gz	CDDJKKHYBZEUOS-CVKSISIWSA-N	1	0	442.607	6.019	50	10		IKCARO
O=[N+]([O-])c1ccccc1-c1ccc(N[N+](=O)c2ccc(-c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000100473543	557262008	/nfs/dbraw/zinc/26/20/08/557262008.db2.gz	QRQCDJBAAHDZMO-OCEACIFDSA-N	1	0	440.415	6.763	50	10		IKCARO
Cc1c([O-])c(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cc2c(-c3ccccc3)cc(=O)oc12	ZINC000524730677	557369112	/nfs/dbraw/zinc/36/91/12/557369112.db2.gz	SKGJXNFIFMTYGG-SQJMNOBHSA-N	1	0	446.591	5.170	50	10	biogenic	IKCARO
CCCCN1c2ccccc2S/C1=C\C(=C\c1sc2ccccc2[n+]1CCCC)CC	ZINC000685944366	557839087	/nfs/dbraw/zinc/83/90/87/557839087.db2.gz	FJRTYHLLOLIXHF-UHFFFAOYSA-N	1	0	449.709	8.036	50	10		IKCARO
C=Cc1ccc2c(c1)sc(/C=C(/C=C1/Sc3cc(C=C)ccc3N1CC)CC)[n+]2CC	ZINC000685944320	557839105	/nfs/dbraw/zinc/83/91/05/557839105.db2.gz	KAFVMBGGJVZTJS-UHFFFAOYSA-N	1	0	445.677	7.762	50	10		IKCARO
CN(C)C(/C=C/C=C1/N(C)c2ccccc2C1(C)C)=C\C1=[N+](C)c2ccccc2C1(C)C	ZINC000685944236	557839111	/nfs/dbraw/zinc/83/91/11/557839111.db2.gz	FQDCJRLUFKJENT-UHFFFAOYSA-N	1	0	426.628	6.006	50	10		IKCARO
CCN1c2ccccc2S/C1=C\C=C\c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1C	ZINC000685944623	557839319	/nfs/dbraw/zinc/83/93/19/557839319.db2.gz	XUQNXHJSKBZWLU-UHFFFAOYSA-N	1	0	447.627	7.332	50	10		IKCARO
CC[N@H+](Cc1ccccc1)Cc1c2c(ccc1O)oc(C)c2C(=O)Nc1ccccc1C	ZINC000008612211	562959083	/nfs/dbraw/zinc/95/90/83/562959083.db2.gz	MMBKXAMEJZNKRH-UHFFFAOYSA-N	1	0	428.532	6.030	50	10		IKCARO
Oc1ccc(Cl)cc1[C@H]1CC(c2ccccc2)=NC2(CC[NH+](Cc3ccccc3)CC2)N1	ZINC000065297959	569131838	/nfs/dbraw/zinc/13/18/38/569131838.db2.gz	RUWLSNDCEBHWGG-RUZDIDTESA-N	1	0	445.994	5.562	50	10	biogenic	IKCARO
Cc1ccc(C2=NC3(CC[NH+](Cc4ccccc4)CC3)N[C@H](c3ccccc3O)C2)cc1	ZINC000065297864	569131869	/nfs/dbraw/zinc/13/18/69/569131869.db2.gz	RRDAXRKQHHHYDS-SANMLTNESA-N	1	0	425.576	5.217	50	10	biogenic	IKCARO
Cc1ccc(C2=NC3(CC[NH+](Cc4ccccc4)CC3)N[C@@H](c3ccccc3O)C2)cc1	ZINC000065297866	569131890	/nfs/dbraw/zinc/13/18/90/569131890.db2.gz	RRDAXRKQHHHYDS-AREMUKBSSA-N	1	0	425.576	5.217	50	10	biogenic	IKCARO
O=[N+]([O-])c1ccccc1-c1ccc(N[N+](=O)c2ccc(-c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000253406067	569272335	/nfs/dbraw/zinc/27/23/35/569272335.db2.gz	UDLUQTWRGDARNJ-UHFFFAOYSA-N	1	0	441.423	6.654	50	10		IKCARO
CC[n+]1c(/C=C2\SC(C)=C(c3ccccc3)N2C)ccc2cc(-c3ccccc3)ccc21	ZINC000020060151	569332985	/nfs/dbraw/zinc/33/29/85/569332985.db2.gz	CRDXIJLUMIEZES-UHFFFAOYSA-N	1	0	435.616	7.180	50	10		IKCARO
O=C(C[N@@H+](Cc1ccccc1O)C1CCCCC1)NC(c1ccccc1)c1ccccc1	ZINC000003278287	569443751	/nfs/dbraw/zinc/44/37/51/569443751.db2.gz	LCFOPTLAHZLLIQ-UHFFFAOYSA-N	1	0	428.576	5.433	50	10		IKCARO
Cc1cccnc1NC(=O)C1CC[NH+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1	ZINC000040149193	569492433	/nfs/dbraw/zinc/49/24/33/569492433.db2.gz	WLVWRMXFNZDNAL-UHFFFAOYSA-N	1	0	437.628	5.541	50	10		IKCARO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	ZINC000009406148	569530013	/nfs/dbraw/zinc/53/00/13/569530013.db2.gz	XKQHJESFRGIPTA-JOCHJYFZSA-N	1	0	441.619	5.627	50	10		IKCARO
CC(C)(C)c1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c(C(C)(C)C)c1	ZINC000012381538	518995854	/nfs/dbraw/zinc/99/58/54/518995854.db2.gz	JSXSOJGJGYFYID-UHFFFAOYSA-N	1	0	448.573	6.328	50	10		IKCARO
CN(C)c1ccc(C[NH+]2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc21	ZINC000023314873	522177051	/nfs/dbraw/zinc/17/70/51/522177051.db2.gz	RFGXXUKDGDAUCR-UHFFFAOYSA-N	1	0	426.526	6.379	50	10		IKCARO
COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1	ZINC000020450851	524738807	/nfs/dbraw/zinc/73/88/07/524738807.db2.gz	MXAHBAZYFAZNHW-UHFFFAOYSA-N	1	0	430.548	5.227	50	10		IKCARO
Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccccc3O)CC2)cc1	ZINC000034683338	524876535	/nfs/dbraw/zinc/87/65/35/524876535.db2.gz	NTSZFUWIRKYGIK-UHFFFAOYSA-N	1	0	434.967	5.665	50	10		IKCARO
Cc1ccc(C(=O)N(c2cccc(C)c2)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1	ZINC000034683031	526076298	/nfs/dbraw/zinc/07/62/98/526076298.db2.gz	IDVDDBRGNHSVHA-UHFFFAOYSA-N	1	0	441.619	5.681	50	10		IKCARO
COc1cccc(O)c1C[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1	ZINC000012705919	526213460	/nfs/dbraw/zinc/21/34/60/526213460.db2.gz	HTVOPHQXUKZXCS-UHFFFAOYSA-N	1	0	434.511	5.058	50	10		IKCARO
Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1	ZINC000034682937	555817502	/nfs/dbraw/zinc/81/75/02/555817502.db2.gz	RNSCFOHMAJQDIC-UHFFFAOYSA-N	1	0	427.592	5.372	50	10		IKCARO
CN(C)c1ccc([C@@H]([NH+]2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1	ZINC000004575600	556002299	/nfs/dbraw/zinc/00/22/99/556002299.db2.gz	UKRLTVSHGLFKQM-SETSBSEESA-N	1	0	425.557	5.327	50	10		IKCARO
CCCCCN1c2ccccc2S/C1=C\c1ccc2cc(NC(C)=O)ccc2[n+]1CC	ZINC000013452295	556150337	/nfs/dbraw/zinc/15/03/37/556150337.db2.gz	SNBNUWJQBJCXDR-UHFFFAOYSA-O	1	0	432.613	6.207	50	10		IKCARO
COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1	ZINC000015004796	556481179	/nfs/dbraw/zinc/48/11/79/556481179.db2.gz	ZRRDMCXBCVKPQL-INIZCTEOSA-N	1	0	431.458	5.189	50	10		IKCARO
COc1cccc(O)c1C[NH+]1CCC(c2n[nH]cc2-c2cccc(C(F)(F)F)c2)CC1	ZINC000011784545	556655210	/nfs/dbraw/zinc/65/52/10/556655210.db2.gz	ZYUMWXLXVAGFRJ-UHFFFAOYSA-N	1	0	431.458	5.189	50	10		IKCARO
O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000100712981	556655892	/nfs/dbraw/zinc/65/58/92/556655892.db2.gz	HHHREIZRPZAPFL-RAQGXPHNSA-N	1	0	437.503	5.048	50	10		IKCARO
O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000100712984	556655973	/nfs/dbraw/zinc/65/59/73/556655973.db2.gz	HHHREIZRPZAPFL-RNRZBRGRSA-N	1	0	437.503	5.048	50	10		IKCARO
COc1ncc(/N=N/c2ccc(NCC[NH+](C(C)C)C(C)C)c3ccccc23)c(OC)n1	ZINC000071767051	556693914	/nfs/dbraw/zinc/69/39/14/556693914.db2.gz	SGAXXLLWWDNDJF-ZQHSETAFSA-N	1	0	436.560	5.593	50	10		IKCARO
Cc1oc2ccc(O)c(C[NH+]3CCC(C)CC3)c2c1C(=O)Nc1cccc(Cl)c1C	ZINC000005182637	556722617	/nfs/dbraw/zinc/72/26/17/556722617.db2.gz	GPRDCXZIZHSSOZ-UHFFFAOYSA-N	1	0	426.944	5.893	50	10		IKCARO
O=C(Nc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1)c1ccc(/N=N/c2ccccc2)cc1	ZINC000023441854	557357878	/nfs/dbraw/zinc/35/78/78/557357878.db2.gz	XXJDHRYAZMMFMJ-NVQSTNCTSA-N	1	0	437.547	6.474	50	10		IKCARO
Cc1ccc2c(c1)S/C(=C/c1cc(-c3ccccc3)[n+](C)c3ccc(C(N)=O)cc13)N2C	ZINC000685944592	557839315	/nfs/dbraw/zinc/83/93/15/557839315.db2.gz	PBEKOLHKJQGSNL-UHFFFAOYSA-O	1	0	438.576	5.279	50	10		IKCARO
COc1ccccc1[C@@H](CC[NH2+]Cc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1	ZINC000001823709	562924785	/nfs/dbraw/zinc/92/47/85/562924785.db2.gz	WYBNNZDNQBJYIZ-SANMLTNESA-N	1	0	432.608	5.860	50	10	biogenic	IKCARO
Cc1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)cc1	ZINC000027528243	563043381	/nfs/dbraw/zinc/04/33/81/563043381.db2.gz	TUBFFHNGKOTETL-UHFFFAOYSA-N	1	0	439.540	6.241	50	10		IKCARO
CN(C)c1ccc(C[NH2+]CC[C@H](Cc2ccccc2Cl)c2ccc(Cl)cc2)cc1	ZINC000006672324	568946859	/nfs/dbraw/zinc/94/68/59/568946859.db2.gz	OQZFNXSOUBXBTR-OAQYLSRUSA-N	1	0	427.419	6.566	50	10		IKCARO
CC[N@H+](CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1)Cc1ccccc1	ZINC000006877897	569096332	/nfs/dbraw/zinc/09/63/32/569096332.db2.gz	AYUWVUTYWGZBEB-UHFFFAOYSA-N	1	0	429.608	5.307	50	10		IKCARO
Cc1ccc(C)c(C2=NC3(CC[NH+](C(C)C)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)c1	ZINC000065298062	569131871	/nfs/dbraw/zinc/13/18/71/569131871.db2.gz	YIHVBCSEDXGCAK-HSZRJFAPSA-N	1	0	426.004	5.387	50	10	biogenic	IKCARO
Oc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NC2(CC[NH+](Cc3ccccc3)CC2)N1	ZINC000080324920	569362224	/nfs/dbraw/zinc/36/22/24/569362224.db2.gz	AORGQCQAKHXIQC-VWLOTQADSA-N	1	0	429.539	5.047	50	10		IKCARO
CC[NH+](CC)CCNc1nc(-c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cs1	ZINC000003455809	569451792	/nfs/dbraw/zinc/45/17/92/569451792.db2.gz	NSPCKKCZUCKKNB-UHFFFAOYSA-N	1	0	436.547	5.990	50	10		IKCARO
CCC[N@H+](CC[C@@]1(c2ccc(OC)cc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1	ZINC000003999353	569457624	/nfs/dbraw/zinc/45/76/24/569457624.db2.gz	XZMRTMSMRYDEJS-MUUNZHRXSA-N	1	0	438.656	5.890	50	10	biogenic	IKCARO
O=C(NCC[NH+]1CCCCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	ZINC000009406140	569529987	/nfs/dbraw/zinc/52/99/87/569529987.db2.gz	XALYBWHLSHEBNR-UHFFFAOYSA-N	1	0	441.619	5.629	50	10		IKCARO
CCCC[N@H+](CC)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	ZINC000009406142	569529994	/nfs/dbraw/zinc/52/99/94/569529994.db2.gz	RBWGJEHKVMJFRQ-UHFFFAOYSA-N	1	0	443.635	5.875	50	10		IKCARO
CCOc1cccc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(C(F)(F)F)c3)CC2)c1O	ZINC000012246099	521337439	/nfs/dbraw/zinc/33/74/39/521337439.db2.gz	QHOIVKPLFMGAOF-UHFFFAOYSA-N	1	0	445.485	5.579	50	10		IKCARO
CN(C)c1ccc(/C=C/C[NH+]2CCC(n3c4ccccc4nc3[C@@H]3CCCO3)CC2)cc1	ZINC000012218878	522127787	/nfs/dbraw/zinc/12/77/87/522127787.db2.gz	ZETGYYQNBINQSF-MXDXTTGUSA-N	1	0	430.596	5.304	50	10		IKCARO
O=C(NCCC[NH+]1CCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1	ZINC000020902539	527661647	/nfs/dbraw/zinc/66/16/47/527661647.db2.gz	ZIDKRFWDZFMVJW-UHFFFAOYSA-N	1	0	441.619	5.629	50	10		IKCARO
CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1	ZINC000034683406	555818734	/nfs/dbraw/zinc/81/87/34/555818734.db2.gz	QTIGGTSPZAYHGE-UHFFFAOYSA-N	1	0	444.575	5.275	50	10		IKCARO
COc1cccc(C[NH+]2CCC(N(C(=O)c3cccs3)c3ccc(C)cc3)CC2)c1O	ZINC000034683294	555818764	/nfs/dbraw/zinc/81/87/64/555818764.db2.gz	KLKMIWSWWXDPNO-UHFFFAOYSA-N	1	0	436.577	5.082	50	10		IKCARO
CC(C)C(=O)N(C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(F)c1)C(C)C	ZINC000034740805	555884139	/nfs/dbraw/zinc/88/41/39/555884139.db2.gz	ZOJNKXBHUINZCU-JYFHCDHNSA-N	1	0	439.619	5.000	50	10		IKCARO
CN(C)c1ccc([C@H]([NH+]2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1	ZINC000004187819	555974788	/nfs/dbraw/zinc/97/47/88/555974788.db2.gz	WSXIGQHISJGPMG-XMMPIXPASA-N	1	0	432.593	5.402	50	10		IKCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1	ZINC000014997530	556478585	/nfs/dbraw/zinc/47/85/85/556478585.db2.gz	NLIGNKKAIYPFNJ-INIZCTEOSA-N	1	0	431.458	5.189	50	10		IKCARO
CCOc1ccccc1N1CC[NH+](Cc2cc(-c3nc4ccccc4s3)ccc2O)CC1	ZINC000015071165	556495747	/nfs/dbraw/zinc/49/57/47/556495747.db2.gz	MVHQPVXMTVWLQR-UHFFFAOYSA-N	1	0	445.588	5.390	50	10		IKCARO
COc1ccccc1[C@@H](c1ccc2c(ccc3c(C)cc(=O)oc32)c1O)[NH+]1CCCCC1	ZINC000013570840	556522174	/nfs/dbraw/zinc/52/21/74/556522174.db2.gz	CVHNTMFQJPDTQC-VWLOTQADSA-N	1	0	429.516	5.544	50	10		IKCARO
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1	ZINC000033681134	556621215	/nfs/dbraw/zinc/62/12/15/556621215.db2.gz	QJTCJLIUABTWBW-OEAKJJBVSA-N	1	0	449.551	5.536	50	10		IKCARO
Cc1oc2ccc(O)c(C[NH+]3CCCCCC3)c2c1C(=O)Nc1cccc(Cl)c1C	ZINC000005182733	556722548	/nfs/dbraw/zinc/72/25/48/556722548.db2.gz	CYDPVFHMSOSOOP-UHFFFAOYSA-N	1	0	426.944	6.037	50	10	aggregator	IKCARO
CC[NH+](CC)Cc1cc(Nc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)ccc1O	ZINC000004366191	562943168	/nfs/dbraw/zinc/94/31/68/562943168.db2.gz	GICKTUQFXCPPNY-UHFFFAOYSA-N	1	0	435.955	6.341	50	10		IKCARO
Cc1oc2ccc(O)c(C[NH+]3CCCCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000008612131	562958973	/nfs/dbraw/zinc/95/89/73/562958973.db2.gz	MLIQRPOJJQFUOM-UHFFFAOYSA-N	1	0	432.442	5.704	50	10	aggregator	IKCARO
CCOC(=O)c1c(CSc2ccc(OCC)cc2)oc2ccc(O)c(C[NH+](C)C)c21	ZINC000001253221	568775004	/nfs/dbraw/zinc/77/50/04/568775004.db2.gz	KSMUZOUHGIFRMO-UHFFFAOYSA-N	1	0	429.538	5.068	50	10		IKCARO
Oc1ccc(Cl)cc1[C@@H]1CC(c2ccccc2)=NC2(CC[NH+](Cc3ccccc3)CC2)N1	ZINC000065297958	569131800	/nfs/dbraw/zinc/13/18/00/569131800.db2.gz	RUWLSNDCEBHWGG-VWLOTQADSA-N	1	0	445.994	5.562	50	10	biogenic	IKCARO
Cc1ccc(C)c(C2=NC3(CC[NH+](C(C)C)CC3)N[C@H](c3cc(Cl)ccc3O)C2)c1	ZINC000065298059	569131865	/nfs/dbraw/zinc/13/18/65/569131865.db2.gz	YIHVBCSEDXGCAK-QHCPKHFHSA-N	1	0	426.004	5.387	50	10	biogenic	IKCARO
Cc1ccc([C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@H]2CN(C(=O)C(C)C)C(C)C)cc1	ZINC000230167968	569439820	/nfs/dbraw/zinc/43/98/20/569439820.db2.gz	FOGLDXPNOFDSBR-AHKZPQOWSA-N	1	0	435.656	5.170	50	10		IKCARO
CCCC[C@H](CC)C[n+]1c(C)cc(C=C2Sc3ccc4ccccc4c3N2C)cc1C	ZINC000003181710	569441341	/nfs/dbraw/zinc/44/13/41/569441341.db2.gz	WIMNJILXZGLNPV-QFIPXVFZSA-N	1	0	431.669	7.602	50	10		IKCARO
Cc1oc2ccc(O)c(C[N@H+]3CCC[C@@H](C)C3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000008717869	569471193	/nfs/dbraw/zinc/47/11/93/569471193.db2.gz	ZBNYQXNSNSVCTO-CQSZACIVSA-N	1	0	446.469	5.950	50	10		IKCARO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[NH+]4CCCCC4)c32)cc1Cl	ZINC000008844097	569478536	/nfs/dbraw/zinc/47/85/36/569478536.db2.gz	MFRWPTJNECYHEA-UHFFFAOYSA-N	1	0	428.916	5.347	50	10		IKCARO
C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	ZINC000009406149	569530050	/nfs/dbraw/zinc/53/00/50/569530050.db2.gz	XKQHJESFRGIPTA-QFIPXVFZSA-N	1	0	441.619	5.627	50	10		IKCARO