smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N=C(Nc2ccc(OCC[NH+](C(C)C)C(C)C)cc2)c2ccccc2)cc1	ZINC000001853248	562924844	/nfs/dbraw/zinc/92/48/44/562924844.db2.gz	MXSFHRABTIPAHE-UHFFFAOYSA-N	1	1	445.607	6.383	1	30		IKEFMO
C=CC[N@@H+](C)CCCCCCOc1ccc2c(c1)[nH]nc2-c1ccc(Br)cc1	ZINC000013519710	562991248	/nfs/dbraw/zinc/99/12/48/562991248.db2.gz	XLWAMJXKTDIELH-UHFFFAOYSA-N	1	1	442.401	6.049	1	30		IKEFMO
Cc1ccc(NC(=S)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCC[N@@H+]5C)c4c3)CC2)cc1	ZINC000013553520	562992881	/nfs/dbraw/zinc/99/28/81/562992881.db2.gz	VVZVJSXSPXMKIK-XMMPIXPASA-N	1	1	444.648	5.820	1	30		IKEFMO
CCCCCCCC[C@H](O)C[NH+]1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000023249182	563027037	/nfs/dbraw/zinc/02/70/37/563027037.db2.gz	DAJDDWFJQKPPBN-SANMLTNESA-N	1	1	434.668	5.604	1	30		IKEFMO
CCCC[NH+]=C1C[C@H](c2ccc(Cl)c(Cl)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21	ZINC000027090512	563039306	/nfs/dbraw/zinc/03/93/06/563039306.db2.gz	YCEUWSDIYJGGDO-VQRAXZETSA-N	1	1	447.793	6.808	1	30		IKEFMO
CCCC[NH+]=C1C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21	ZINC000027090506	563039313	/nfs/dbraw/zinc/03/93/13/563039313.db2.gz	YCEUWSDIYJGGDO-AZZXOVNPSA-N	1	1	447.793	6.808	1	30		IKEFMO
COc1ccc(N=C(Nc2ccc(OCCC[NH+]3CCCC3)cc2)c2ccc(C)cc2)cc1	ZINC000027109890	563040075	/nfs/dbraw/zinc/04/00/75/563040075.db2.gz	KQGOLEVSPALUBO-UHFFFAOYSA-N	1	1	443.591	6.059	1	30		IKEFMO
COc1ccc(N=C(Nc2ccc(OCCC[NH+]3CCCC3)cc2)c2ccccc2)cc1	ZINC000027184191	563040255	/nfs/dbraw/zinc/04/02/55/563040255.db2.gz	KYSBRDVRWQIIIK-UHFFFAOYSA-N	1	1	429.564	5.750	1	30		IKEFMO
COc1ccc(C#Cc2ccccc2)c(C[C@@H](C)[N@@H+](C)CCc2cccc3ccccc32)c1	ZINC000027657570	563045310	/nfs/dbraw/zinc/04/53/10/563045310.db2.gz	NLHDHLSWKJLHRY-XMMPIXPASA-N	1	1	433.595	6.354	1	30		IKEFMO
CC[N@@H+](C)CC#CCCC1(C(O)(c2ccccc2)c2ccccc2)SCCCS1	ZINC000029336657	563078316	/nfs/dbraw/zinc/07/83/16/563078316.db2.gz	ZNECOTHXSXGKOZ-UHFFFAOYSA-N	1	1	425.663	5.224	1	30		IKEFMO
COc1ccc(CC[N@@H+](C)CCCC(C#N)(c2ccccc2)c2ccccc2)cc1OC	ZINC000029395718	563079151	/nfs/dbraw/zinc/07/91/51/563079151.db2.gz	KEJJWQZEWFJNNV-UHFFFAOYSA-N	1	1	428.576	5.468	1	30		IKEFMO
CCCCCCCCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C	ZINC000036187752	563091870	/nfs/dbraw/zinc/09/18/70/563091870.db2.gz	OIRVABZCOMKCDZ-FQEVSTJZSA-N	1	1	436.040	5.113	1	30		IKEFMO
N#CC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl	ZINC000040395212	563100740	/nfs/dbraw/zinc/10/07/40/563100740.db2.gz	BOSGQVHMGISLBE-OIFTYBNWSA-N	1	1	447.409	7.171	1	30		IKEFMO
C#CC1=CC[C@@H]([N@@H+](CCC)CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1	ZINC000040413632	563101958	/nfs/dbraw/zinc/10/19/58/563101958.db2.gz	GOPCNWYYZCPBLJ-MUUNZHRXSA-N	1	1	438.619	6.216	1	30	in-vitro	IKEFMO
COc1cc(-c2c(C(C)C)cccc2C(C)C)cc([C@H](C)C#Cc2c(C)[nH+]c(N)nc2N)c1	ZINC000040860445	563108028	/nfs/dbraw/zinc/10/80/28/563108028.db2.gz	VOTVRUAOKKCDKI-GOSISDBHSA-N	1	1	442.607	6.027	1	30		IKEFMO
COc1ccc(CC[N@H+](C)C#CCN2c3ccccc3Sc3ccccc32)cc1OC	ZINC000040894327	563110265	/nfs/dbraw/zinc/11/02/65/563110265.db2.gz	WDIRKJYVHCJDRW-UHFFFAOYSA-N	1	1	430.573	5.442	1	30		IKEFMO
COc1ccc(CC[N@@H+](C)C#CCN2c3ccccc3Sc3ccccc32)cc1OC	ZINC000040894327	563110267	/nfs/dbraw/zinc/11/02/67/563110267.db2.gz	WDIRKJYVHCJDRW-UHFFFAOYSA-N	1	1	430.573	5.442	1	30		IKEFMO
CCCCCCCCCCCCOc1c(CC)cc(Cc2c[nH+]c(N)nc2N)cc1CC	ZINC000043356702	563120110	/nfs/dbraw/zinc/12/01/10/563120110.db2.gz	QPCNVTNXJFMGQQ-UHFFFAOYSA-N	1	1	440.676	6.656	1	30		IKEFMO
CCCCC[C@H](C)[NH+]=C(Nc1ccc(C#N)cc1O)Nc1ccccc1Br	ZINC000045334475	563131051	/nfs/dbraw/zinc/13/10/51/563131051.db2.gz	LDBMZEKROLMXBW-HNNXBMFYSA-N	1	1	429.362	5.875	1	30		IKEFMO
CCCCCCCCCCCCS(=O)(=O)N(C)[C@@H]1CC[N@H+]2CCc3ccccc3[C@@H]2C1	ZINC000049589404	563138938	/nfs/dbraw/zinc/13/89/38/563138938.db2.gz	GVZFADGLKSRYNW-RSXGOPAZSA-N	1	1	448.717	5.931	1	30		IKEFMO
CCCCCCC[N@H+]1CC[C@@H](CC[C@H](O)c2ccnc3ccc(OC)cc32)[C@@H](CC)C1	ZINC000049605641	563138989	/nfs/dbraw/zinc/13/89/89/563138989.db2.gz	GCXXQAWDVDJDTD-XXAUWVGASA-N	1	1	426.645	6.376	1	30	investigational	IKEFMO
CCCCCCC[N@H+]1CC[C@@H](CC(=O)Nc2ccnc3ccc(OC)cc32)[C@@H](CC)C1	ZINC000058583145	563145276	/nfs/dbraw/zinc/14/52/76/563145276.db2.gz	RJDCZZMMKWWTHF-SFTDATJTSA-N	1	1	425.617	5.891	1	30		IKEFMO
C/C(=[NH+]\OCCN1CCCCC1)c1ccc(Nc2c3ccoc3nc3ccccc32)cc1	ZINC000072109817	563163239	/nfs/dbraw/zinc/16/32/39/563163239.db2.gz	MAHXHKXQMQCDEB-VUTHCHCSSA-N	1	1	428.536	5.951	1	30		IKEFMO
CCCCCCCCCCCC(=O)c1ncc(CCCS(=O)(=O)CCC[NH+](C)C)o1	ZINC000082157951	563173855	/nfs/dbraw/zinc/17/38/55/563173855.db2.gz	MOHIJRVUFNKNRH-UHFFFAOYSA-N	1	1	442.666	5.077	1	30		IKEFMO
COc1ccc(CC[N@@H+](C)CCCC2(C#N)c3ccccc3-c3ccccc32)cc1OC	ZINC000001630723	562923373	/nfs/dbraw/zinc/92/33/73/562923373.db2.gz	PVQFFRMLRRIZTC-UHFFFAOYSA-N	1	1	426.560	5.449	1	30		IKEFMO
CC[N@H+]1CC[C@@](O)(/C=C/c2ccc(C(C)C)cc2)[C@H](C(=O)C=Cc2ccc(C(C)C)cc2)C1	ZINC000005845842	562945123	/nfs/dbraw/zinc/94/51/23/562945123.db2.gz	WZLWYHADODLHEK-IHYZJMHMSA-N	1	1	445.647	6.302	3	30		IKEFMO
C=CCn1c2ccccc2c2c1C[N@@H+](CCCC[C@]13CCCc4cccc(c41)NC3=O)CC2	ZINC000013473732	562988484	/nfs/dbraw/zinc/98/84/84/562988484.db2.gz	SRDHTORHFMPDLE-LJAQVGFWSA-N	1	1	439.603	5.582	1	30		IKEFMO
C=CCn1c2ccccc2c2c1C[N@H+](CCCC[C@]13CCCc4cccc(c41)NC3=O)CC2	ZINC000013473732	562988485	/nfs/dbraw/zinc/98/84/85/562988485.db2.gz	SRDHTORHFMPDLE-LJAQVGFWSA-N	1	1	439.603	5.582	1	30		IKEFMO
COc1ccc([C@@](C#N)(CCC[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC	ZINC000013556931	562993182	/nfs/dbraw/zinc/99/31/82/562993182.db2.gz	CJMMUKHWNFMHEW-YDLSVGCOSA-N	1	1	438.656	6.050	1	30		IKEFMO
COc1ccc([C@@](C#N)(CC#CC[N@@H+](C)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC	ZINC000013556976	562993277	/nfs/dbraw/zinc/99/32/77/562993277.db2.gz	NJQUGYLOUWRRIX-YDLSVGCOSA-N	1	1	434.624	5.415	1	30		IKEFMO
N#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1	ZINC000013613246	562998071	/nfs/dbraw/zinc/99/80/71/562998071.db2.gz	YYWBSASXGCRFHA-JCYRPKCISA-N	1	1	448.586	5.332	1	30		IKEFMO
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[N@H+](C)CC/C=C(/C)CC[C@H]1OC1(C)C	ZINC000013650882	562999179	/nfs/dbraw/zinc/99/91/79/562999179.db2.gz	QVSSLEUYYYXQOL-FCWWSOEPSA-N	1	1	429.733	8.412	1	30		IKEFMO
C[N@H+]1C[C@@H]2[C@@H](c3ccc(Cl)nc3)C3(c4ccc(C#N)cc4)CC2(C3)[C@H]1c1ccccc1	ZINC000013812946	563009004	/nfs/dbraw/zinc/00/90/04/563009004.db2.gz	NITCNTVBKPTKSV-PVTDFJEZSA-N	1	1	425.963	5.725	3	30		IKEFMO
C[N@H+]1C[C@@H]2[C@H](c3ccc(Cl)nc3)C3(c4ccc(C#N)cc4)CC2(C3)[C@H]1c1ccccc1	ZINC000013812949	563009009	/nfs/dbraw/zinc/00/90/09/563009009.db2.gz	NITCNTVBKPTKSV-IZDNQLBOSA-N	1	1	425.963	5.725	3	30		IKEFMO
C[N@H+](CC#CCC[C@@](O)(c1ccccc1)C1SCCCS1)CCc1ccccc1	ZINC000013821815	563010179	/nfs/dbraw/zinc/01/01/79/563010179.db2.gz	ISOFQCCVDUYCTD-RUZDIDTESA-N	1	1	425.663	5.029	1	30		IKEFMO
CC[N@H+]1CC[C@](O)(/C=C/c2ccc(C(C)C)cc2)[C@@H](C(=O)C=Cc2ccc(C(C)C)cc2)C1	ZINC000016958984	563021279	/nfs/dbraw/zinc/02/12/79/563021279.db2.gz	WZLWYHADODLHEK-KUYMQYDUSA-N	1	1	445.647	6.302	3	30		IKEFMO
O=C(C=NNc1ccccc1)NCCCCCCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000028370873	563053774	/nfs/dbraw/zinc/05/37/74/563053774.db2.gz	ALCSKONSVHEXAF-RDRPBHBLSA-N	1	1	437.975	5.465	1	30		IKEFMO
COc1cc(OC)c(C2CC[NH+](C)CC2)c(O)c1C(=O)/C=C/c1ccc(C(F)(F)F)cc1	ZINC000028871229	563067520	/nfs/dbraw/zinc/06/75/20/563067520.db2.gz	UQSSMJOJBRVAJZ-RMKNXTFCSA-N	1	1	449.469	5.134	1	30		IKEFMO
C=CC[N@@H+](C)CCCCOc1ccc2c(c1)snc2-c1ccc(Br)cc1	ZINC000040420492	563102118	/nfs/dbraw/zinc/10/21/18/563102118.db2.gz	PDHRIPJKNGUCJP-UHFFFAOYSA-N	1	1	431.399	6.003	1	30	in-vitro	IKEFMO
Cc1nc(-c2cccc(/C=C/C(=O)NO)c2)n([C@@H]2CCC[N@H+](C(C)C)C2)c1-c1ccccc1	ZINC000038360101	563097588	/nfs/dbraw/zinc/09/75/88/563097588.db2.gz	WRBMOCXGXBIFTC-DKUDOZJNSA-N	1	1	444.579	5.089	1	30		IKEFMO
CC[N@@H+](CCO)C(C)(C)C#Cc1ccc2c(c1)snc2-c1ccc(Br)cc1	ZINC000038470060	563097834	/nfs/dbraw/zinc/09/78/34/563097834.db2.gz	KHISTYKSRSFTNE-UHFFFAOYSA-N	1	1	443.410	5.170	1	30		IKEFMO
CC[NH+]=C(Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)SC(C)C	ZINC000040395605	563100830	/nfs/dbraw/zinc/10/08/30/563100830.db2.gz	LPGGUKWRPSJKKN-UHFFFAOYSA-N	1	1	431.605	6.612	1	30		IKEFMO
C#CC1=CC[C@H]([N@@H+](CCC)CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1	ZINC000040413629	563102005	/nfs/dbraw/zinc/10/20/05/563102005.db2.gz	GOPCNWYYZCPBLJ-NDEPHWFRSA-N	1	1	438.619	6.216	1	30	in-vitro	IKEFMO
N#Cc1ccc(N(Cc2ccccc2Cl)[C@H]2CC[N@@H+](Cc3ccccn3)C2)cc1Cl	ZINC000043059244	563117527	/nfs/dbraw/zinc/11/75/27/563117527.db2.gz	NNTNLZUSLGNCIJ-QFIPXVFZSA-N	1	1	437.374	5.541	1	30		IKEFMO
CCCCCCCCCC[N@@H+](CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	ZINC000043334984	563120117	/nfs/dbraw/zinc/12/01/17/563120117.db2.gz	SMBFBQCAKMPHOS-HSZRJFAPSA-N	1	1	426.667	5.334	1	30		IKEFMO
CCCCCCCCCC(=O)O[C@H]1C=C[C@@]23CC[N@H+](C)Cc4ccc(OC)c(c42)O[C@H]3C1	ZINC000043411752	563120268	/nfs/dbraw/zinc/12/02/68/563120268.db2.gz	FXWZMLQRSJAVJM-MYIHVTGJSA-N	1	1	441.612	5.542	1	30		IKEFMO
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OC(=O)[C@@H]([NH3+])C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000045291220	563128875	/nfs/dbraw/zinc/12/88/75/563128875.db2.gz	JFIPYWOCXPCAFX-KKEAKYHZSA-N	1	1	428.617	5.037	1	30		IKEFMO
COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(C[N@@H+](C)Cc3ccccc3)cc1)CC2	ZINC000045392596	563134141	/nfs/dbraw/zinc/13/41/41/563134141.db2.gz	FAQJAADRJNDSJQ-BUVRLJJBSA-N	1	1	427.544	5.548	1	30		IKEFMO
CC(C)(C)c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)NO)cc2F)C1	ZINC000049068921	563137610	/nfs/dbraw/zinc/13/76/10/563137610.db2.gz	ILQPFWGPYWQTHJ-RPAADVPWSA-N	1	1	449.570	5.503	1	30		IKEFMO
Cc1c2cc[nH]c2ccc1Nc1c(C#N)cncc1/C=C/c1ccc(C[NH+]2CCOCC2)cc1	ZINC000049113506	563138606	/nfs/dbraw/zinc/13/86/06/563138606.db2.gz	XJYBZBREOWBYIA-VOTSOKGWSA-N	1	1	449.558	5.489	1	30		IKEFMO
CC[C@@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000096942028	563200428	/nfs/dbraw/zinc/20/04/28/563200428.db2.gz	DWLYNXUJULCJPZ-MBRAPHETSA-N	1	1	428.532	6.402	1	30		IKEFMO
N#CCC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1	ZINC000013493022	562990789	/nfs/dbraw/zinc/99/07/89/562990789.db2.gz	ALBWWALSEOWKRA-UHFFFAOYSA-N	1	1	425.511	5.320	1	30		IKEFMO
C=CC[N@H+](C)C/C=C/COc1ccc(-c2nsc3cc(Br)ccc32)cc1	ZINC000013519693	562991222	/nfs/dbraw/zinc/99/12/22/562991222.db2.gz	INIICDJWFWGRPP-SNAWJCMRSA-N	1	1	429.383	5.779	1	30		IKEFMO
C=CC[N@@H+](C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1	ZINC000013519683	562991293	/nfs/dbraw/zinc/99/12/93/562991293.db2.gz	RNTIMLQORXMWOI-UHFFFAOYSA-N	1	1	430.386	5.737	1	30		IKEFMO
C=C(C)C[N@@H+]1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@@H](C)C1	ZINC000013862307	563013010	/nfs/dbraw/zinc/01/30/10/563013010.db2.gz	LDLWBLOQKIBSDP-WXVAWEFUSA-N	1	1	449.639	5.602	1	30		IKEFMO
CC[N@H+]1CC[C@@](O)(/C=C/c2ccc(Cl)cc2)[C@@H](C(=O)C=Cc2ccc(Cl)cc2)C1	ZINC000013912513	563013944	/nfs/dbraw/zinc/01/39/44/563013944.db2.gz	PYGIJQFAQRQZHN-GHDXQQFFSA-N	1	1	430.375	5.362	1	30		IKEFMO
N#Cc1ccc(Cn2c[nH+]cc2Cn2ccc3cc(-c4cccc5ccccc54)ccc32)cc1	ZINC000014955837	563015782	/nfs/dbraw/zinc/01/57/82/563015782.db2.gz	GMRZSXNEOIVFAA-UHFFFAOYSA-N	1	1	438.534	6.626	1	30		IKEFMO
COc1ccc(C#Cc2ccccc2)c(C[C@H](C)[N@@H+](C)CCc2cc(OC)cc(OC)c2)c1	ZINC000027718621	563045804	/nfs/dbraw/zinc/04/58/04/563045804.db2.gz	RPGHLDARQPFWHS-QFIPXVFZSA-N	1	1	443.587	5.218	1	30		IKEFMO
COc1ccc(C#Cc2ccccc2)c(C[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)c1	ZINC000027731226	563046169	/nfs/dbraw/zinc/04/61/69/563046169.db2.gz	GZQZLIKIDNUHEL-OAQYLSRUSA-N	1	1	429.560	5.175	1	30		IKEFMO
C[NH2+]Cc1cc(C#CCCN2CCSCC2)ccc1Oc1ccc(Cl)c(Cl)c1	ZINC000028825139	563066172	/nfs/dbraw/zinc/06/61/72/563066172.db2.gz	BQBXKSFQNZVIMG-UHFFFAOYSA-N	1	1	435.420	5.296	1	30		IKEFMO
N#Cc1cccc(NC(=O)NCCC[N@@H+]2CCC[C@H](Cc3ccc(C(F)(F)F)cc3)C2)c1	ZINC000029390532	563078824	/nfs/dbraw/zinc/07/88/24/563078824.db2.gz	PNDYVSXOBJDAPK-HXUWFJFHSA-N	1	1	444.501	5.043	1	30		IKEFMO
C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(CCCNC(=O)C=Cc2ccccc2Cl)CC1	ZINC000034145480	563085618	/nfs/dbraw/zinc/08/56/18/563085618.db2.gz	FLDUIORQSZUCFH-DSDZLBHNSA-N	1	1	432.052	5.675	1	30		IKEFMO
Cc1c(-c2ccccc2)nc(-c2cccc(/C=C/C(=O)NO)c2)n1[C@@H]1CCC[N@H+](C(C)C)C1	ZINC000036426201	563095213	/nfs/dbraw/zinc/09/52/13/563095213.db2.gz	KSLVMNXIUJBLMD-DKUDOZJNSA-N	1	1	444.579	5.089	1	30		IKEFMO
CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1C[NH+]=C(c2ccccc2)N1	ZINC000042805284	563115729	/nfs/dbraw/zinc/11/57/29/563115729.db2.gz	YFUKCQLAMOUKCE-SANMLTNESA-N	1	1	441.704	6.783	1	30		IKEFMO
CCCCCCCCCCCC1=[NH+]/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OCCCC)C=C1	ZINC000043284956	563119817	/nfs/dbraw/zinc/11/98/17/563119817.db2.gz	HMURELGMFZIZNM-FLFQWRMESA-N	1	1	435.656	8.461	1	30		IKEFMO
C#CC[N@@H+]1CCC2=C(C1)c1c(O)cc([C@H](C)[C@H](C)CCc3ccc(F)cc3)cc1OC2(C)C	ZINC000045167308	563122304	/nfs/dbraw/zinc/12/23/04/563122304.db2.gz	HJPXNGOZYDYWTF-WOJBJXKFSA-N	1	1	447.594	6.167	1	30		IKEFMO
C#CC[N@H+]1CCC2=C(C1)c1c(O)cc([C@H](C)[C@H](C)CCc3ccc(F)cc3)cc1OC2(C)C	ZINC000045167308	563122306	/nfs/dbraw/zinc/12/23/06/563122306.db2.gz	HJPXNGOZYDYWTF-WOJBJXKFSA-N	1	1	447.594	6.167	1	30		IKEFMO
C#CC[N@@H+]1CCC2=C(C1)c1c(O)cc([C@H](C)[C@@H](C)CCc3ccc(F)cc3)cc1OC2(C)C	ZINC000045167306	563122350	/nfs/dbraw/zinc/12/23/50/563122350.db2.gz	HJPXNGOZYDYWTF-VQTJNVASSA-N	1	1	447.594	6.167	1	30		IKEFMO
C#CC[N@H+]1CCC2=C(C1)c1c(O)cc([C@H](C)[C@@H](C)CCc3ccc(F)cc3)cc1OC2(C)C	ZINC000045167306	563122351	/nfs/dbraw/zinc/12/23/51/563122351.db2.gz	HJPXNGOZYDYWTF-VQTJNVASSA-N	1	1	447.594	6.167	1	30		IKEFMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(NC(=O)c4cccs4)cc3Cl)C2)cc1	ZINC000045195790	563124495	/nfs/dbraw/zinc/12/44/95/563124495.db2.gz	ZTRCILMQGAMYBL-LJQANCHMSA-N	1	1	437.952	5.179	1	30		IKEFMO
C=CCNC(=O)c1ccc2c(c1)[NH+]=C(C[C@@H](C)c1ccccc1)N(CC1CCCCC1)C2	ZINC000045302872	563129705	/nfs/dbraw/zinc/12/97/05/563129705.db2.gz	GMSJJGJDEACWJB-OAQYLSRUSA-N	1	1	429.608	6.222	1	30		IKEFMO
Cc1c2cc[nH]c2ccc1Nc1c(C#N)cncc1/C=C/c1cccc(C[NH+]2CCOCC2)c1	ZINC000049054824	563137117	/nfs/dbraw/zinc/13/71/17/563137117.db2.gz	FPSGCBWWRUZTIV-AATRIKPKSA-N	1	1	449.558	5.489	1	30		IKEFMO
C=CCn1c2ccc(C(=O)N3CCC(C)CC3)cc2c2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000082155040	563173606	/nfs/dbraw/zinc/17/36/06/563173606.db2.gz	KRJNMVCVRLHURT-UHFFFAOYSA-N	1	1	427.592	5.258	1	30		IKEFMO
C=CCn1c2ccc(C(=O)N3CCC(C)CC3)cc2c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000082155040	563173609	/nfs/dbraw/zinc/17/36/09/563173609.db2.gz	KRJNMVCVRLHURT-UHFFFAOYSA-N	1	1	427.592	5.258	1	30		IKEFMO
C/C(=N\OC(=O)[C@@H]([NH3+])C(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000084687143	563175685	/nfs/dbraw/zinc/17/56/85/563175685.db2.gz	NLVSNQMXBALPDY-BNMSKYSASA-N	1	1	428.617	5.037	1	30		IKEFMO
CCCCCCCCCCCCCCCC[NH+]1C=CC(=C/C=C2\C=Nc3ccccc32)C=C1	ZINC000367722010	569287857	/nfs/dbraw/zinc/28/78/57/569287857.db2.gz	RIEYMXYSURCKFW-XHLNEMQHSA-N	1	1	444.707	9.537	1	30		IKEFMO
C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)Nc4ccccc4)CC3)cc12	ZINC000013553517	562992914	/nfs/dbraw/zinc/99/29/14/562992914.db2.gz	KIZFBOUMJTUKDH-HSZRJFAPSA-N	1	1	430.621	5.511	1	30		IKEFMO
C[N@@H+](CCCC(C#N)(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21	ZINC000013556954	562993190	/nfs/dbraw/zinc/99/31/90/562993190.db2.gz	DERMMZKQMIJFKK-UHFFFAOYSA-N	1	1	428.579	6.978	1	30		IKEFMO
COc1ccc([C@](C#N)(CC#CC[N@@H+](C)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC	ZINC000013556974	562993321	/nfs/dbraw/zinc/99/33/21/562993321.db2.gz	NJQUGYLOUWRRIX-MRTWRDBHSA-N	1	1	434.624	5.415	1	30		IKEFMO
N#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@H](Cc3ccc(F)cc3)C2)c1	ZINC000013613249	562998142	/nfs/dbraw/zinc/99/81/42/562998142.db2.gz	YYWBSASXGCRFHA-MVERNJQCSA-N	1	1	448.586	5.332	1	30		IKEFMO
N#Cc1cn(Cc2c[nH+]cn2Cc2ccc3c(c2)OCO3)cc1-c1cccc2ccccc21	ZINC000014955833	563015784	/nfs/dbraw/zinc/01/57/84/563015784.db2.gz	SKJCGFAZESXJPB-UHFFFAOYSA-N	1	1	432.483	5.202	1	30		IKEFMO
CCCCCCCC[C@@H](O)C[NH+]1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000023249181	563027136	/nfs/dbraw/zinc/02/71/36/563027136.db2.gz	DAJDDWFJQKPPBN-AREMUKBSSA-N	1	1	434.668	5.604	1	30		IKEFMO
CCCC[NH+]=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21	ZINC000027098028	563039559	/nfs/dbraw/zinc/03/95/59/563039559.db2.gz	BUZMZNUJEIOWIR-BHGSVWKISA-N	1	1	446.900	6.520	1	30		IKEFMO
N#CC(CCC[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1	ZINC000027524831	563043211	/nfs/dbraw/zinc/04/32/11/563043211.db2.gz	IJMJLEIMOMJILP-NDEPHWFRSA-N	1	1	428.551	5.399	1	30		IKEFMO
COc1ccc(C#Cc2ccccc2)c(C[C@@H](C)[N@@H+](C)CCc2cc(OC)cc(OC)c2)c1	ZINC000027718614	563045773	/nfs/dbraw/zinc/04/57/73/563045773.db2.gz	RPGHLDARQPFWHS-JOCHJYFZSA-N	1	1	443.587	5.218	1	30		IKEFMO
[N-]=[N+]=Nc1ccc2c(c1)[nH+]c1cc(N=[N+]=[N-])ccc1c2Nc1ccc(S(N)(=O)=O)cc1	ZINC000029245203	563077175	/nfs/dbraw/zinc/07/71/75/563077175.db2.gz	AACPKDTWSSRCPO-UHFFFAOYSA-N	1	1	431.441	5.663	1	30		IKEFMO
Cc1cc2c(cc1C)N[C@@]1(C[C@@H]3CCN4C(=O)CCC[C@H](C1)[C@H]34)C(=[NH+]C1CCCCC1)N2	ZINC000036383000	563094127	/nfs/dbraw/zinc/09/41/27/563094127.db2.gz	FXJSWSIEIXSHNT-GJWMGYQWSA-N	1	1	434.628	5.422	1	30		IKEFMO
COc1cc([C@@H](C)C#Cc2c(C)[nH+]c(N)nc2N)ccc1-c1c(C(C)C)cccc1C(C)C	ZINC000040865226	563108648	/nfs/dbraw/zinc/10/86/48/563108648.db2.gz	NQBNSJKYKJECKP-SFHVURJKSA-N	1	1	442.607	6.027	1	30		IKEFMO
CCCCCCCCC/C=C/CCCCCCCNC(=O)[C@@H]1C[NH+]=C(c2ccccc2)N1	ZINC000042805289	563115761	/nfs/dbraw/zinc/11/57/61/563115761.db2.gz	OEFPTESIGUTVTI-BKRCECSGSA-N	1	1	439.688	6.559	1	30		IKEFMO
N#Cc1ccc(N(Cc2ccccc2Cl)[C@H]2CC[N@H+](CCC(F)(F)F)C2)cc1Cl	ZINC000043023615	563117331	/nfs/dbraw/zinc/11/73/31/563117331.db2.gz	LENLWAUYDUESCL-SFHVURJKSA-N	1	1	442.312	5.898	1	30		IKEFMO
CCCCCCCCCC[N@@H+](CC)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1	ZINC000043334982	563120099	/nfs/dbraw/zinc/12/00/99/563120099.db2.gz	SMBFBQCAKMPHOS-QHCPKHFHSA-N	1	1	426.667	5.334	1	30		IKEFMO
C#CC[N@@H+]1CCC2=C(C1)c1c(O)cc([C@@H](C)[C@@H](C)CCc3ccc(F)cc3)cc1OC2(C)C	ZINC000045167310	563122364	/nfs/dbraw/zinc/12/23/64/563122364.db2.gz	HJPXNGOZYDYWTF-PMACEKPBSA-N	1	1	447.594	6.167	1	30		IKEFMO
C#CC[N@H+]1CCC2=C(C1)c1c(O)cc([C@@H](C)[C@@H](C)CCc3ccc(F)cc3)cc1OC2(C)C	ZINC000045167310	563122365	/nfs/dbraw/zinc/12/23/65/563122365.db2.gz	HJPXNGOZYDYWTF-PMACEKPBSA-N	1	1	447.594	6.167	1	30		IKEFMO
N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(NC(=O)c4ccsc4)cc3Cl)C2)cc1	ZINC000045302957	563129708	/nfs/dbraw/zinc/12/97/08/563129708.db2.gz	YAFOWWZUUDPIRR-FQEVSTJZSA-N	1	1	437.952	5.179	1	30		IKEFMO
CCCCC[C@@H](C)[NH+]=C(Nc1ccc(C#N)cc1O)Nc1ccccc1Br	ZINC000045334473	563131061	/nfs/dbraw/zinc/13/10/61/563131061.db2.gz	LDBMZEKROLMXBW-OAHLLOKOSA-N	1	1	429.362	5.875	1	30		IKEFMO
C[N@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/OCc4ccccc4)c3CC[C@@H]21	ZINC000045356078	563132596	/nfs/dbraw/zinc/13/25/96/563132596.db2.gz	YUNGHULYKDVTOC-JJQUOXMWSA-N	1	1	446.978	5.531	1	30		IKEFMO
C#CCNc1[nH+]c2cc(C)c(C)cc2n1CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000045367120	563133126	/nfs/dbraw/zinc/13/31/26/563133126.db2.gz	OTQXEUJGYKHIMM-UHFFFAOYSA-N	1	1	445.607	5.882	1	30		IKEFMO
C=C(C)C[N@H+](CC)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C	ZINC000049036277	563136428	/nfs/dbraw/zinc/13/64/28/563136428.db2.gz	OGDKKRCDCAJMST-UHFFFAOYSA-N	1	1	438.925	6.120	1	30		IKEFMO
CCCCCCC[N@H+]1CC[C@@H](CC(=O)Nc2ccnc3ccc(OC)cc32)[C@H](CC)C1	ZINC000049605699	563138934	/nfs/dbraw/zinc/13/89/34/563138934.db2.gz	RJDCZZMMKWWTHF-RTWAWAEBSA-N	1	1	425.617	5.891	1	30		IKEFMO
CCN(CC)/C(C)=N/c1ccc2c(c1)C(=O)c1ccc(/[NH+]=C(\C)N(CC)CC)cc1C2=O	ZINC000059354229	563146552	/nfs/dbraw/zinc/14/65/52/563146552.db2.gz	NFVDVOZJPFWBJX-XUIWWLCJSA-N	1	1	432.568	5.245	1	30		IKEFMO
CCCCCCCCCCCCCCCCCC[C@@H]([NH3+])C(=O)N([O-])CC[N+](C)(C)C	ZINC000064560704	563156324	/nfs/dbraw/zinc/15/63/24/563156324.db2.gz	KWRDUALLWSLXFY-XMMPIXPASA-N	1	1	428.726	5.889	1	30		IKEFMO
C#CCN(C)Cc1cc2cc(OCCCC3CC[NH+](Cc4ccccc4)CC3)ccc2n1C	ZINC000072316998	563168465	/nfs/dbraw/zinc/16/84/65/563168465.db2.gz	ADCBAOTWERXLAP-UHFFFAOYSA-N	1	1	443.635	5.315	1	30	in-vitro	IKEFMO
CCCCCCCCCCCCCCCC[NH+]1C=CC(=C/C=C2/C=Nc3ccccc32)C=C1	ZINC000367722009	569287735	/nfs/dbraw/zinc/28/77/35/569287735.db2.gz	RIEYMXYSURCKFW-ANYBSYGZSA-N	1	1	444.707	9.537	1	30		IKEFMO
C[N@@H+](CCOc1ccc(NC(=Nc2ccccc2)c2ccccc2)cc1)Cc1ccccc1	ZINC000001853272	562924879	/nfs/dbraw/zinc/92/48/79/562924879.db2.gz	CESSXVZMEJAALB-UHFFFAOYSA-N	1	1	435.571	6.388	1	30		IKEFMO
C=CC[N@H+](C)C/C=C/COc1cc2c(cc1F)c(-c1ccc(Br)cc1)nn2C	ZINC000003581378	562936477	/nfs/dbraw/zinc/93/64/77/562936477.db2.gz	YDWPQZUWZDRRSE-AATRIKPKSA-N	1	1	444.348	5.195	1	30	in-vivo	IKEFMO
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[N@H+](C)CC/C=C(/C)CC[C@@H]1OC1(C)C	ZINC000013650881	562999195	/nfs/dbraw/zinc/99/91/95/562999195.db2.gz	QVSSLEUYYYXQOL-MKYJULMFSA-N	1	1	429.733	8.412	1	30		IKEFMO
C=CC[N@@H+]1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@@H](C)C1	ZINC000013862291	563012864	/nfs/dbraw/zinc/01/28/64/563012864.db2.gz	SGYVOQJXUAPLMV-HFZDXXHNSA-N	1	1	435.612	5.212	1	30		IKEFMO
C=CCCCCCC[C@H](O)C[NH+]1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000022782522	563025756	/nfs/dbraw/zinc/02/57/56/563025756.db2.gz	HZNZNPXUJSDMGW-SANMLTNESA-N	1	1	432.652	5.380	1	30		IKEFMO
CCCC[NH+]=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21	ZINC000027098032	563039557	/nfs/dbraw/zinc/03/95/57/563039557.db2.gz	BUZMZNUJEIOWIR-IXNGNONCSA-N	1	1	446.900	6.520	1	30		IKEFMO
COc1ccc(C#Cc2ccccc2)c(C[C@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)c1	ZINC000027731234	563046238	/nfs/dbraw/zinc/04/62/38/563046238.db2.gz	GZQZLIKIDNUHEL-NRFANRHFSA-N	1	1	429.560	5.175	1	30		IKEFMO
NC(=[NH2+])NC(O)=Cn1c(-c2ccc(Oc3ccccc3)cc2)ccc1-c1cccc(Cl)c1	ZINC000029039727	563071906	/nfs/dbraw/zinc/07/19/06/563071906.db2.gz	DQMKCDOKYDOKPO-UHFFFAOYSA-N	1	1	444.922	5.068	1	30		IKEFMO
NC(=[NH2+])NC(O)=Cn1c(-c2cc(Cl)ccc2Cl)ccc1-c1cccc2ccccc21	ZINC000029040146	563072020	/nfs/dbraw/zinc/07/20/20/563072020.db2.gz	YXVHZRZECQBTPN-UHFFFAOYSA-N	1	1	437.330	5.082	1	30		IKEFMO
C#CC[N@@H+]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCCc3ccc(F)cc3)cc1OC2(C)C	ZINC000034145204	563085655	/nfs/dbraw/zinc/08/56/55/563085655.db2.gz	OOVFJWSFGAWYFU-HXUWFJFHSA-N	1	1	447.594	6.311	1	30		IKEFMO
C#CC[N@H+]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCCc3ccc(F)cc3)cc1OC2(C)C	ZINC000034145204	563085656	/nfs/dbraw/zinc/08/56/56/563085656.db2.gz	OOVFJWSFGAWYFU-HXUWFJFHSA-N	1	1	447.594	6.311	1	30		IKEFMO
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)c6ccc(C#N)cc6)CC[C@]5(C)[C@H]4CC[C@]23C[N@H+]1C	ZINC000035998206	563090741	/nfs/dbraw/zinc/09/07/41/563090741.db2.gz	VPUJJAUTVKQOIW-HLOIHJJFSA-N	1	1	443.679	6.256	1	30		IKEFMO
COc1cc(-c2c(C(C)C)cccc2C(C)C)cc([C@@H](C)C#Cc2c(C)[nH+]c(N)nc2N)c1	ZINC000040860447	563108045	/nfs/dbraw/zinc/10/80/45/563108045.db2.gz	VOTVRUAOKKCDKI-SFHVURJKSA-N	1	1	442.607	6.027	1	30		IKEFMO
C=CC[N@H+](CCC)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C	ZINC000049034773	563136201	/nfs/dbraw/zinc/13/62/01/563136201.db2.gz	FFOGTRIXFYGBNZ-UHFFFAOYSA-N	1	1	438.925	6.120	1	30		IKEFMO
CCCCCCC[N@H+]1CC[C@@H](CC[C@@H](O)c2ccnc3ccc(OC)cc32)[C@@H](CC)C1	ZINC000049605642	563138927	/nfs/dbraw/zinc/13/89/27/563138927.db2.gz	GCXXQAWDVDJDTD-OREGWCPLSA-N	1	1	426.645	6.376	1	30	investigational	IKEFMO
CCCCCCCCC[N@H+]1CCc2cc3oc(=O)n(C)c3cc2[C@H]1c1cccc(OC)c1	ZINC000049757513	563139230	/nfs/dbraw/zinc/13/92/30/563139230.db2.gz	WKQKYEASPBXSOD-AREMUKBSSA-N	1	1	436.596	5.838	1	30		IKEFMO
CC[N@@H+](CC#Cc1ccccc1)Cc1cccc(OCc2cc(-c3ccsc3)cs2)c1	ZINC000053259567	563141623	/nfs/dbraw/zinc/14/16/23/563141623.db2.gz	GZVZWBOHPHLQFU-UHFFFAOYSA-N	1	1	443.637	6.929	1	30	in-vitro	IKEFMO
C=CC[N@@H+](C)CCCCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1	ZINC000084759423	563179866	/nfs/dbraw/zinc/17/98/66/563179866.db2.gz	JNEMUUFPSGGSIO-UHFFFAOYSA-N	1	1	448.434	7.062	1	30		IKEFMO
CC[C@@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000096942030	563200382	/nfs/dbraw/zinc/20/03/82/563200382.db2.gz	DWLYNXUJULCJPZ-ZUCNUPGRSA-N	1	1	428.532	6.402	1	30		IKEFMO
CC[N@@H+]1Cc2c(-c3ccc(Cl)cc3)c(C#N)c(N)nc2/C(=C/c2ccc(Cl)cc2)C1	ZINC000006009999	562945730	/nfs/dbraw/zinc/94/57/30/562945730.db2.gz	FGSIXIIEXHCTKE-GZTJUZNOSA-N	1	1	435.358	5.885	1	30		IKEFMO
Cc1cc2c([nH+]c1C)CCCN2C[C@H](C)O/N=C\[C@@H](C)[C@H](OCc1ccccc1)C(C)C	ZINC000008035742	562948995	/nfs/dbraw/zinc/94/89/95/562948995.db2.gz	QVGJTJGHKZZHRJ-YYJXFOBESA-N	1	1	437.628	5.719	1	30		IKEFMO
C=CC[N@@H+](C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cn1	ZINC000013524775	562991514	/nfs/dbraw/zinc/99/15/14/562991514.db2.gz	RAIXBGOEHAFMTA-UHFFFAOYSA-N	1	1	431.374	5.132	1	30		IKEFMO
C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)NC4CCCCC4)CC3)cc12	ZINC000013553515	562992874	/nfs/dbraw/zinc/99/28/74/562992874.db2.gz	LREJXAOHTJMTLI-HSZRJFAPSA-N	1	1	436.669	5.512	1	30		IKEFMO
COc1ccc([C@](C#N)(CCC[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC	ZINC000013556929	562993221	/nfs/dbraw/zinc/99/32/21/562993221.db2.gz	CJMMUKHWNFMHEW-MRTWRDBHSA-N	1	1	438.656	6.050	1	30		IKEFMO
COc1ccc([C@@](C#N)(CC#CC[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC	ZINC000013556978	562993297	/nfs/dbraw/zinc/99/32/97/562993297.db2.gz	ZJKRKHWGVUOOGZ-PMJNAIGOSA-N	1	1	448.651	5.663	1	30		IKEFMO
C[N@@H+](C/C=C/C#CC(C)(C)C)Cc1cccc(OCC(C)(C)OCc2ccsc2)c1	ZINC000013589231	562996255	/nfs/dbraw/zinc/99/62/55/562996255.db2.gz	NFXQFSOXMHZCPG-VQHVLOKHSA-N	1	1	425.638	6.160	1	30		IKEFMO
C[N@H+](CC#CCC[C@](O)(c1ccccc1)C1SCCCS1)CCc1ccccc1	ZINC000013821813	563010118	/nfs/dbraw/zinc/01/01/18/563010118.db2.gz	ISOFQCCVDUYCTD-VWLOTQADSA-N	1	1	425.663	5.029	1	30		IKEFMO
COc1ccc(CC[N@@H+](C)CC#CCC2(c3ccccc3)SCCCS2)cc1OC	ZINC000013821799	563010164	/nfs/dbraw/zinc/01/01/64/563010164.db2.gz	NAECOQJDHYMNSZ-UHFFFAOYSA-N	1	1	441.662	5.295	1	30		IKEFMO
C=CC[N@@H+]1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@H](C)C1	ZINC000013862292	563012875	/nfs/dbraw/zinc/01/28/75/563012875.db2.gz	SGYVOQJXUAPLMV-QFQXNSOFSA-N	1	1	435.612	5.212	1	30		IKEFMO
COc1ccc(C#Cc2ccccc2)c(C[C@H](C)[N@@H+](C)CCc2cccc3ccccc32)c1	ZINC000027657572	563045346	/nfs/dbraw/zinc/04/53/46/563045346.db2.gz	NLHDHLSWKJLHRY-DEOSSOPVSA-N	1	1	433.595	6.354	1	30		IKEFMO
COc1ccc(C#Cc2ccccc2)c(C[C@@H](C)[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1	ZINC000027731241	563046224	/nfs/dbraw/zinc/04/62/24/563046224.db2.gz	HFTCHLFZXQTLAS-JOCHJYFZSA-N	1	1	443.587	5.218	1	30		IKEFMO
C=CCOC(=O)[C@H]1[C@H](c2ccccc2CC)CC[N@@H+](Cc2cccnc2)[C@H]1c1ccccc1	ZINC000028713132	563063060	/nfs/dbraw/zinc/06/30/60/563063060.db2.gz	LERZUTFNCOWMRC-KCHLEUMXSA-N	1	1	440.587	5.720	1	30		IKEFMO
c1ccc(CSC(=Nc2ccccc2)Nc2cccc([C@H]3CN4CCSC4=[NH+]3)c2)cc1	ZINC000029547336	563081705	/nfs/dbraw/zinc/08/17/05/563081705.db2.gz	QNPFUANMDOVGCO-HSZRJFAPSA-N	1	1	444.629	6.179	1	30		IKEFMO
c1ccc(CSC(=Nc2ccccc2)Nc2cccc([C@@H]3CN4CCSC4=[NH+]3)c2)cc1	ZINC000029547325	563081749	/nfs/dbraw/zinc/08/17/49/563081749.db2.gz	QNPFUANMDOVGCO-QHCPKHFHSA-N	1	1	444.629	6.179	1	30		IKEFMO
C#CC[N@@H+]1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCCc3ccc(F)cc3)cc1OC2(C)C	ZINC000034145203	563085634	/nfs/dbraw/zinc/08/56/34/563085634.db2.gz	OOVFJWSFGAWYFU-FQEVSTJZSA-N	1	1	447.594	6.311	1	30		IKEFMO
C#CC[N@H+]1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCCc3ccc(F)cc3)cc1OC2(C)C	ZINC000034145203	563085635	/nfs/dbraw/zinc/08/56/35/563085635.db2.gz	OOVFJWSFGAWYFU-FQEVSTJZSA-N	1	1	447.594	6.311	1	30		IKEFMO
COc1cc([C@H](C)C#Cc2c(C)[nH+]c(N)nc2N)ccc1-c1c(C(C)C)cccc1C(C)C	ZINC000040865223	563108624	/nfs/dbraw/zinc/10/86/24/563108624.db2.gz	NQBNSJKYKJECKP-GOSISDBHSA-N	1	1	442.607	6.027	1	30		IKEFMO
CCCCCCCCOc1ccc(-c2nnc([C@@](C)([NH3+])CO)s2)cc1C(F)(F)F	ZINC000043208591	563119635	/nfs/dbraw/zinc/11/96/35/563119635.db2.gz	JVHRETCRWVFQEC-IBGZPJMESA-N	1	1	431.524	5.129	1	30	in-vivo	IKEFMO
CCCCCCC[N@H+]1CC[C@H](CC(=O)Nc2ccnc3ccc(OC)cc32)[C@H](CC)C1	ZINC000049605698	563138971	/nfs/dbraw/zinc/13/89/71/563138971.db2.gz	RJDCZZMMKWWTHF-NHCUHLMSSA-N	1	1	425.617	5.891	1	30		IKEFMO
CCCCCCCCCCCC(=O)N(C)CCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000049775386	563139435	/nfs/dbraw/zinc/13/94/35/563139435.db2.gz	MBHRQHNWHFOTGT-UHFFFAOYSA-N	1	1	432.052	7.070	1	30		IKEFMO
Cc1ccc(/C(=N/O)NCC[C@H]2CCC[N@@H+]2C)c(Oc2ccc3oc4ccccc4c3c2)n1	ZINC000072102472	563162800	/nfs/dbraw/zinc/16/28/00/563162800.db2.gz	HQWJUCAHVRKRPP-GOSISDBHSA-N	1	1	444.535	5.291	1	30		IKEFMO
COc1ccc2c(c1)nc1occc1c2Nc1ccc(/C(C)=N/OCCC[NH+](C)C)cc1	ZINC000072109825	563163250	/nfs/dbraw/zinc/16/32/50/563163250.db2.gz	KNYSMBNFSRJOGZ-OGLMXYFKSA-N	1	1	432.524	5.426	1	30		IKEFMO
CCCCCCCCCCCCCCCCc1[nH+]c2c(c(C)c1OC(C)=O)CCN2C	ZINC000084714524	563177890	/nfs/dbraw/zinc/17/78/90/563177890.db2.gz	FDRPFBAUWYBHTD-UHFFFAOYSA-N	1	1	430.677	7.331	1	30		IKEFMO
COc1ccc([C@H]2CC(=NOC(=O)c3ccccc3)C[C@@H](c3ccc(OC)cc3)[N@H+]2C)cc1	ZINC000096931368	563198713	/nfs/dbraw/zinc/19/87/13/563198713.db2.gz	SILCZTYZPXIOQA-WMPKNSHKSA-N	1	1	444.531	5.425	1	30		IKEFMO
CC[N@H+]1CC[C@@](O)(/C=C/c2ccc(Cl)cc2)[C@H](C(=O)C=Cc2ccc(Cl)cc2)C1	ZINC000001635085	562923433	/nfs/dbraw/zinc/92/34/33/562923433.db2.gz	PYGIJQFAQRQZHN-YGUBBZAJSA-N	1	1	430.375	5.362	1	30		IKEFMO
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[N@H+](C)CC/C=C(\C)CC[C@H]1OC1(C)C	ZINC000005158554	562943789	/nfs/dbraw/zinc/94/37/89/562943789.db2.gz	QVSSLEUYYYXQOL-CEIVSQKNSA-N	1	1	429.733	8.412	1	30		IKEFMO
C=CC[N@@H+](C)CCCCCCOc1ccc2c(c1)occ2-c1ccc(Br)cc1	ZINC000012501928	562982588	/nfs/dbraw/zinc/98/25/88/562982588.db2.gz	JYNZIOFUHBJABQ-UHFFFAOYSA-N	1	1	442.397	6.919	1	30	in-vivo	IKEFMO
C=CC[N@H+](C)C/C=C/COc1ccc2c(-c3ccc(Br)cc3)csc2c1	ZINC000013519676	562991217	/nfs/dbraw/zinc/99/12/17/562991217.db2.gz	LLPVLKAPTAKNIR-SNAWJCMRSA-N	1	1	428.395	6.384	1	30		IKEFMO
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[N@H+](C)CC/C=C(\C)CC[C@@H]1OC1(C)C	ZINC000013524785	562991488	/nfs/dbraw/zinc/99/14/88/562991488.db2.gz	QVSSLEUYYYXQOL-RZMYASGSSA-N	1	1	429.733	8.412	1	30		IKEFMO
C=CC[N@H+](C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(O)c1	ZINC000013524772	562991509	/nfs/dbraw/zinc/99/15/09/562991509.db2.gz	OZNGQEACJHMNOT-UHFFFAOYSA-N	1	1	446.385	5.443	1	30		IKEFMO
C=CC[N@@H+](C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(O)c1	ZINC000013524772	562991510	/nfs/dbraw/zinc/99/15/10/562991510.db2.gz	OZNGQEACJHMNOT-UHFFFAOYSA-N	1	1	446.385	5.443	1	30		IKEFMO
CCCCN(CC)c1cc(C)[nH+]c2c1NC(=O)CN2c1c(Cl)cc(C#N)cc1Cl	ZINC000013584818	562995042	/nfs/dbraw/zinc/99/50/42/562995042.db2.gz	QZMBEVWXBUMHKI-UHFFFAOYSA-N	1	1	432.355	5.285	1	30		IKEFMO
N#CC(CCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1	ZINC000013674291	563000316	/nfs/dbraw/zinc/00/03/16/563000316.db2.gz	SBTDSQSUVHMWSP-UHFFFAOYSA-N	1	1	426.991	6.719	1	30		IKEFMO
CS(=O)(=O)Nc1ccc(Nc2c3ccc(N=[N+]=[N-])cc3[nH+]c3cc(N=[N+]=[N-])ccc32)cc1	ZINC000026851189	563037715	/nfs/dbraw/zinc/03/77/15/563037715.db2.gz	GUZQAKDCZSMXGS-UHFFFAOYSA-N	1	1	445.468	6.387	1	30		IKEFMO
Cc1cccc(N=C(Nc2ccc(OCC[NH+](C(C)C)C(C)C)cc2)c2ccccc2)c1C	ZINC000027109888	563040130	/nfs/dbraw/zinc/04/01/30/563040130.db2.gz	CFWSYWPDFJAIFK-UHFFFAOYSA-N	1	1	443.635	6.991	1	30		IKEFMO
COc1ccc(C#Cc2ccccc2)c(CCC[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1	ZINC000027713445	563045650	/nfs/dbraw/zinc/04/56/50/563045650.db2.gz	BSZJNWMEMHUSBY-UHFFFAOYSA-N	1	1	443.587	5.219	1	30		IKEFMO
COc1ccc(CC[N@@H+](C)[C@@H](C)CCc2cc(F)ccc2C#Cc2ccccc2)cc1OC	ZINC000027720932	563045904	/nfs/dbraw/zinc/04/59/04/563045904.db2.gz	MDYJGYUQTDAEMD-QFIPXVFZSA-N	1	1	445.578	5.738	1	30		IKEFMO
CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[C@@H]([N@@H+](C)[C@@H]1CCCc3ccccc31)C2	ZINC000028135646	563051556	/nfs/dbraw/zinc/05/15/56/563051556.db2.gz	FRZRQGVRAANXRI-AUSIDOKSSA-N	1	1	435.637	5.861	1	30		IKEFMO
Cc1c(NCc2ccccc2)cn2[nH+]cc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12	ZINC000028569386	563058760	/nfs/dbraw/zinc/05/87/60/563058760.db2.gz	HXKOQMDEXFGKGR-UHFFFAOYSA-N	1	1	445.526	6.662	1	30		IKEFMO
C=CC[N@H+](C)CCCCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(O)c1	ZINC000028710571	563062633	/nfs/dbraw/zinc/06/26/33/563062633.db2.gz	VDHMIZYHVAARKA-UHFFFAOYSA-N	1	1	429.988	6.114	1	30		IKEFMO
C=CC[N@@H+](C)CCCCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(O)c1	ZINC000028710571	563062634	/nfs/dbraw/zinc/06/26/34/563062634.db2.gz	VDHMIZYHVAARKA-UHFFFAOYSA-N	1	1	429.988	6.114	1	30		IKEFMO
C=CCN1C[C@H](C)[N@@H+]([C@@H](c2ccc(-c3ccccn3)cc2)c2cccc(OC)c2)C[C@H]1C	ZINC000028760760	563063689	/nfs/dbraw/zinc/06/36/89/563063689.db2.gz	ZDXWLVFBWXZKLT-WENCSYSZSA-N	1	1	427.592	5.427	1	30		IKEFMO
C=CC[N@@H+]1C[C@H](C)N([C@@H](c2ccc(-c3ccccn3)cc2)c2cccc(OC)c2)C[C@H]1C	ZINC000028760760	563063691	/nfs/dbraw/zinc/06/36/91/563063691.db2.gz	ZDXWLVFBWXZKLT-WENCSYSZSA-N	1	1	427.592	5.427	1	30		IKEFMO
C=CC[N@H+]1C[C@H](C)N([C@@H](c2ccc(-c3ccccn3)cc2)c2cccc(OC)c2)C[C@H]1C	ZINC000028760760	563063692	/nfs/dbraw/zinc/06/36/92/563063692.db2.gz	ZDXWLVFBWXZKLT-WENCSYSZSA-N	1	1	427.592	5.427	1	30		IKEFMO
N#Cc1cccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](Cc3ccc(C(F)(F)F)cc3)C2)c1	ZINC000029390529	563078843	/nfs/dbraw/zinc/07/88/43/563078843.db2.gz	PNDYVSXOBJDAPK-FQEVSTJZSA-N	1	1	444.501	5.043	1	30		IKEFMO
CC[N@H+]1CC[C@@](O)(/C=C/c2ccc(C(C)C)cc2)[C@@H](C(=O)C=Cc2ccc(C(C)C)cc2)C1	ZINC000031895249	563083670	/nfs/dbraw/zinc/08/36/70/563083670.db2.gz	WZLWYHADODLHEK-UYDYHZRLSA-N	1	1	445.647	6.302	3	30		IKEFMO
CC[N@@H+](CCO)CCCC#Cc1ccc2c(c1)snc2-c1ccc(Br)cc1	ZINC000034353996	563086148	/nfs/dbraw/zinc/08/61/48/563086148.db2.gz	WGFNYNVHQAKQPA-UHFFFAOYSA-N	1	1	443.410	5.172	1	30		IKEFMO
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OC(=O)[C@@H]([NH3+])C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000043197589	563119374	/nfs/dbraw/zinc/11/93/74/563119374.db2.gz	JFIPYWOCXPCAFX-NPRMJFGVSA-N	1	1	428.617	5.037	1	30		IKEFMO
CCCCCCCCCCCCCCCCCC[N@H+]1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1	ZINC000043260921	563119793	/nfs/dbraw/zinc/11/97/93/563119793.db2.gz	QHWWHLXUJBNTJR-MFMCTBQISA-N	1	1	447.792	8.677	1	30		IKEFMO
CCCCCCCNC(=O)Oc1ccc2c(c1)c(C)cn2[N@@H+](CCC)c1ccncc1F	ZINC000044117546	563121649	/nfs/dbraw/zinc/12/16/49/563121649.db2.gz	PEQCQYWCZXAUJF-UHFFFAOYSA-N	1	1	440.563	6.222	1	30		IKEFMO
C#CC[N@@H+]1CCC2=C(C1)c1c(O)cc([C@@H](C)[C@H](C)CCc3ccc(F)cc3)cc1OC2(C)C	ZINC000045167312	563122361	/nfs/dbraw/zinc/12/23/61/563122361.db2.gz	HJPXNGOZYDYWTF-UXHICEINSA-N	1	1	447.594	6.167	1	30		IKEFMO
C#CC[N@H+]1CCC2=C(C1)c1c(O)cc([C@@H](C)[C@H](C)CCc3ccc(F)cc3)cc1OC2(C)C	ZINC000045167312	563122362	/nfs/dbraw/zinc/12/23/62/563122362.db2.gz	HJPXNGOZYDYWTF-UXHICEINSA-N	1	1	447.594	6.167	1	30		IKEFMO
C=CCNC(=O)c1ccc2c(c1)[NH+]=C(C[C@H](C)c1ccccc1)N(CC1CCCCC1)C2	ZINC000045302871	563129714	/nfs/dbraw/zinc/12/97/14/563129714.db2.gz	GMSJJGJDEACWJB-NRFANRHFSA-N	1	1	429.608	6.222	1	30		IKEFMO
CC(C)(C)c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)NO)cc2F)C1	ZINC000049068919	563137541	/nfs/dbraw/zinc/13/75/41/563137541.db2.gz	ILQPFWGPYWQTHJ-VSFZPWCASA-N	1	1	449.570	5.503	1	30		IKEFMO
C=C[C@H]1C[N@@H+](CCCCCCC)CC[C@H]1C[C@@H](O)Cc1cc[nH]c2cc(=O)c(OC)cc1-2	ZINC000049604928	563138985	/nfs/dbraw/zinc/13/89/85/563138985.db2.gz	XQOPWIPFVNZVOR-QNWVGRARSA-N	1	1	440.628	5.337	1	30		IKEFMO
CCCCCCCCn1cc(CN2CC[NH+](C)CC2)c2cc(-c3cccc(C)c3)ccc21	ZINC000064526540	563154317	/nfs/dbraw/zinc/15/43/17/563154317.db2.gz	REUJZSJBNLZWRB-UHFFFAOYSA-N	1	1	431.668	6.725	1	30		IKEFMO
CCCCCCCCOc1c(OC)ccc2c1[C@@]13CC[N@@H+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000073258737	563171508	/nfs/dbraw/zinc/17/15/08/563171508.db2.gz	HMYCFBILQCNZAG-PBDKAQRYSA-N	1	1	441.612	5.052	1	30		IKEFMO
CC[N@H+]1CC[C@](O)(/C=C/c2ccc(Cl)cc2)[C@@H](C(=O)C=Cc2ccc(Cl)cc2)C1	ZINC000002004568	562925550	/nfs/dbraw/zinc/92/55/50/562925550.db2.gz	PYGIJQFAQRQZHN-ZOAQTADBSA-N	1	1	430.375	5.362	1	30		IKEFMO
C=CCn1c2ccccc2c2c1C[N@@H+](CCCC[C@@]13CCCc4cccc(c41)NC3=O)CC2	ZINC000013473733	562988532	/nfs/dbraw/zinc/98/85/32/562988532.db2.gz	SRDHTORHFMPDLE-GDLZYMKVSA-N	1	1	439.603	5.582	1	30		IKEFMO
C=CCn1c2ccccc2c2c1C[N@H+](CCCC[C@@]13CCCc4cccc(c41)NC3=O)CC2	ZINC000013473733	562988533	/nfs/dbraw/zinc/98/85/33/562988533.db2.gz	SRDHTORHFMPDLE-GDLZYMKVSA-N	1	1	439.603	5.582	1	30		IKEFMO
C=CC[N@H+](C[C@H]1C[C@@H]1COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1	ZINC000013519667	562991205	/nfs/dbraw/zinc/99/12/05/562991205.db2.gz	ICPGWJRDLWZVKA-WOJBJXKFSA-N	1	1	440.381	5.345	1	30	in-vitro	IKEFMO
C=CC[N@@H+](C)CCCCCCOc1ccc2c(c1)onc2-c1ccc(Br)cc1	ZINC000013519679	562991256	/nfs/dbraw/zinc/99/12/56/562991256.db2.gz	VCDXTQIRGMIUCZ-UHFFFAOYSA-N	1	1	443.385	6.314	1	30		IKEFMO
COc1ccc([C@](C#N)(CC#CC[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC	ZINC000013556977	562993330	/nfs/dbraw/zinc/99/33/30/562993330.db2.gz	ZJKRKHWGVUOOGZ-BIRCUGHBSA-N	1	1	448.651	5.663	1	30		IKEFMO
CC[N@@H+](C)CC#CCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1	ZINC000013821755	563010101	/nfs/dbraw/zinc/01/01/01/563010101.db2.gz	PAJBSDJPMSOFNV-UHFFFAOYSA-N	1	1	439.646	5.330	1	30		IKEFMO
C=CCCCCCC[C@@H](O)C[NH+]1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000022452386	563025592	/nfs/dbraw/zinc/02/55/92/563025592.db2.gz	HZNZNPXUJSDMGW-AREMUKBSSA-N	1	1	432.652	5.380	1	30		IKEFMO
C=C(Cc1ccccc1)CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1	ZINC000023360873	563027133	/nfs/dbraw/zinc/02/71/33/563027133.db2.gz	WBZDGCPWORXWIT-UHFFFAOYSA-N	1	1	426.604	5.209	1	30		IKEFMO
N#CC(CCC[N@@H+]1CCC[C@](O)(c2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1	ZINC000027524832	563043224	/nfs/dbraw/zinc/04/32/24/563043224.db2.gz	IJMJLEIMOMJILP-MUUNZHRXSA-N	1	1	428.551	5.399	1	30		IKEFMO
COc1ccc(CC[N@@H+](C)[C@H](C)CCc2cc(F)ccc2C#Cc2ccccc2)cc1OC	ZINC000027720938	563045843	/nfs/dbraw/zinc/04/58/43/563045843.db2.gz	MDYJGYUQTDAEMD-JOCHJYFZSA-N	1	1	445.578	5.738	1	30		IKEFMO
COc1ccc(C#Cc2ccccc2)c(C[C@H](C)[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1	ZINC000027731247	563046230	/nfs/dbraw/zinc/04/62/30/563046230.db2.gz	HFTCHLFZXQTLAS-QFIPXVFZSA-N	1	1	443.587	5.218	1	30		IKEFMO
CCc1cc2c(s1)Nc1ccc(F)cc1NC2=NCC[NH+]1CCN(c2ccccc2)CC1	ZINC000027995316	563049060	/nfs/dbraw/zinc/04/90/60/563049060.db2.gz	NGKDSYSMINNZTF-UHFFFAOYSA-N	1	1	449.599	5.188	1	30		IKEFMO
CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[C@H]([N@@H+](C)[C@@H]1CCCc3ccccc31)C2	ZINC000028135639	563051541	/nfs/dbraw/zinc/05/15/41/563051541.db2.gz	FRZRQGVRAANXRI-WMZHIEFXSA-N	1	1	435.637	5.861	1	30		IKEFMO
NC(=[NH2+])NC(O)=Cn1c(-c2ccc(Oc3ccccc3)cc2)ccc1-c1ccccc1Cl	ZINC000029039653	563071885	/nfs/dbraw/zinc/07/18/85/563071885.db2.gz	CGHBZUHTVSAANX-UHFFFAOYSA-N	1	1	444.922	5.068	1	30		IKEFMO
CCCCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C	ZINC000036093038	563090994	/nfs/dbraw/zinc/09/09/94/563090994.db2.gz	OIRVABZCOMKCDZ-HXUWFJFHSA-N	1	1	436.040	5.113	1	30		IKEFMO
CC1=C2C[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[N@@H+](C)[C@H]1[C@H]2C	ZINC000038254119	563097268	/nfs/dbraw/zinc/09/72/68/563097268.db2.gz	MWLZYTHDYNEXEN-CXHJXZPGSA-N	1	1	437.668	5.942	1	30		IKEFMO
CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](Cc2ccccc2)[NH2+]1	ZINC000042804524	563115732	/nfs/dbraw/zinc/11/57/32/563115732.db2.gz	POTMPCXFJJGTHQ-IZZNHLLZSA-N	1	1	446.745	6.858	1	30		IKEFMO
CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2)[NH2+]1	ZINC000042804530	563115740	/nfs/dbraw/zinc/11/57/40/563115740.db2.gz	POTMPCXFJJGTHQ-UIOOFZCWSA-N	1	1	446.745	6.858	1	30		IKEFMO
Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(CCC#N)CC5)cc4)cc3)[nH]c21	ZINC000045167591	563122316	/nfs/dbraw/zinc/12/23/16/563122316.db2.gz	BKUVODROEOZJNW-UHFFFAOYSA-N	1	1	435.575	5.237	1	30		IKEFMO
N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(NC(=O)c4cccs4)cc3Cl)C2)cc1	ZINC000045195793	563124490	/nfs/dbraw/zinc/12/44/90/563124490.db2.gz	ZTRCILMQGAMYBL-IBGZPJMESA-N	1	1	437.952	5.179	1	30		IKEFMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(NC(=O)c4ccsc4)cc3Cl)C2)cc1	ZINC000045302958	563129717	/nfs/dbraw/zinc/12/97/17/563129717.db2.gz	YAFOWWZUUDPIRR-HXUWFJFHSA-N	1	1	437.952	5.179	1	30		IKEFMO
C=C[C@H]1C[N@@H+](CCCCCCC)CC[C@H]1C[C@H](O)Cc1cc[nH]c2cc(=O)c(OC)cc1-2	ZINC000049604927	563138947	/nfs/dbraw/zinc/13/89/47/563138947.db2.gz	XQOPWIPFVNZVOR-FUDKSRODSA-N	1	1	440.628	5.337	1	30		IKEFMO
CCCCCCCCC[N@H+]1CCc2cc3oc(=O)n(C)c3cc2[C@@H]1c1cccc(OC)c1	ZINC000049757512	563139203	/nfs/dbraw/zinc/13/92/03/563139203.db2.gz	WKQKYEASPBXSOD-SANMLTNESA-N	1	1	436.596	5.838	1	30		IKEFMO
CCCCCCCC[N@@H+]1CC=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1	ZINC000049785029	563139683	/nfs/dbraw/zinc/13/96/83/563139683.db2.gz	NZNXJWONJIQVDN-UHFFFAOYSA-N	1	1	431.599	7.332	1	30		IKEFMO
CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[C@H]([N@@H+](C)[C@H]1CCCc3ccccc31)C2	ZINC000058538672	563144220	/nfs/dbraw/zinc/14/42/20/563144220.db2.gz	FRZRQGVRAANXRI-CVDCTZTESA-N	1	1	435.637	5.861	1	30		IKEFMO
CCCCCCCCCCCCCCCCCC[C@H]([NH3+])C(=O)N([O-])CC[N+](C)(C)C	ZINC000064560702	563156285	/nfs/dbraw/zinc/15/62/85/563156285.db2.gz	KWRDUALLWSLXFY-DEOSSOPVSA-N	1	1	428.726	5.889	1	30		IKEFMO
Cc1ccc(/C(=N/O)NCC[C@@H]2CCC[N@@H+]2C)c(Oc2ccc3oc4ccccc4c3c2)n1	ZINC000072102471	563162839	/nfs/dbraw/zinc/16/28/39/563162839.db2.gz	HQWJUCAHVRKRPP-SFHVURJKSA-N	1	1	444.535	5.291	1	30		IKEFMO
C=CC[N@@H+]1[C@@H](c2ccc(C)cc2)[C@H](C)/C(=N/OCc2ccccc2)C[C@H]1c1ccc(C)cc1	ZINC000095573756	563185133	/nfs/dbraw/zinc/18/51/33/563185133.db2.gz	RVTJWSOSJOUQSX-JXYDWYSRSA-N	1	1	438.615	7.186	1	30		IKEFMO