smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1	ZINC000059586359	291394808	/nfs/dbraw/zinc/39/48/08/291394808.db2.gz	XWVVPZWKCNXREE-DREAZARJSA-N	-1	0	440.668	6.764	1	30	biogenic,in-vitro	IKEFRM
C=C1C[C@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@H]1CC/C(C)=C/CO	ZINC000070450944	291395009	/nfs/dbraw/zinc/39/50/09/291395009.db2.gz	GIQOHSBJFWWSAH-JTOOOXAXSA-N	-1	0	440.580	5.404	1	30	biogenic,in-vitro	IKEFRM
C=C(C)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)[O-]	ZINC000095099097	291394230	/nfs/dbraw/zinc/39/42/30/291394230.db2.gz	LEKUPXHLKIIVCR-QIICUCRQSA-N	-1	0	430.629	6.388	1	30	biogenic,in-vitro	IKEFRM
CC(C)=CCC1=C2O[C@@H](C(C)(C)O)C[C@]2(CC=C(C)C)C(=O)C(=C([O-])CCC(C)C)C1=O	ZINC000095913358	291396498	/nfs/dbraw/zinc/39/64/98/291396498.db2.gz	MQPMNFVAMNKAHK-JIPXPUAJSA-N	-1	0	444.612	5.899	1	30	biogenic,in-vitro	IKEFRM
Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3cc([N+](=O)[O-])ccc3[O-])n2)cc1	ZINC000013304960	525713816	/nfs/dbraw/zinc/71/38/16/525713816.db2.gz	UGVZCUFTNQCSKG-MFKUBSTISA-N	-1	0	425.448	5.179	1	30		IKEFRM
C[C@@]1(C(=O)[O-])CC[C@]2(C)CC[C@]3(C)C4=CC=C5CC(=O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1	ZINC000033359849	560089108	/nfs/dbraw/zinc/08/91/08/560089108.db2.gz	FXLVCCDIUNLGKU-BRUCSKOJSA-N	-1	0	436.592	6.308	1	30	biogenic,in-vitro	IKEFRM
CCCCCCCC[C@@H](O)c1ccc2ccc(CSc3cccc(C(=O)[O-])c3)cc2c1	ZINC000001534721	562922498	/nfs/dbraw/zinc/92/24/98/562922498.db2.gz	KERCUIJEEPSYHK-AREMUKBSSA-N	-1	0	436.617	7.614	1	30		IKEFRM
O=C([O-])c1cc(Cl)ccc1N=CC1=NC(c2cccc(OC(F)(F)F)c2)OC1=O	ZINC000012421503	562982115	/nfs/dbraw/zinc/98/21/15/562982115.db2.gz	DXHOEHWTSQHKKV-LIMNOBDPSA-N	-1	0	426.734	5.048	1	30		IKEFRM
C/C(CC(=O)[O-])=N\O[C@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1	ZINC000013557737	562993376	/nfs/dbraw/zinc/99/33/76/562993376.db2.gz	CYMQVPPOYFTADQ-SVQVGOSPSA-N	-1	0	446.547	6.302	1	30		IKEFRM
C/C(=N\O[C@@H](c1cccs1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)[O-]	ZINC000013557795	562993384	/nfs/dbraw/zinc/99/33/84/562993384.db2.gz	SLKBLIXGHFOAKA-VUEBRRCKSA-N	-1	0	432.501	5.442	1	30		IKEFRM
C/C(=N\O[C@H](CC1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)[O-]	ZINC000013557782	562993387	/nfs/dbraw/zinc/99/33/87/562993387.db2.gz	KEUZJHZRVMCVIT-DYIFSOBNSA-N	-1	0	446.547	6.302	1	30		IKEFRM
O=C([O-])/C=N/O[C@H](c1ccc(OCc2cc(-c3ccccc3)on2)cc1)C1CCCCC1	ZINC000013557855	562993462	/nfs/dbraw/zinc/99/34/62/562993462.db2.gz	OFQHZQSNMFGPLV-IPACTHBOSA-N	-1	0	434.492	5.629	1	30		IKEFRM
C/C(=N\O[C@@H](c1ccc(OCc2cc(-c3ccccc3)on2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557858	562993463	/nfs/dbraw/zinc/99/34/63/562993463.db2.gz	ULRGTCVDTMDYOD-RPUKTSEFSA-N	-1	0	448.519	6.019	1	30		IKEFRM
C/C(=N\O[C@H](c1ccc(OCc2cc(-c3ccccc3)on2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557857	562993477	/nfs/dbraw/zinc/99/34/77/562993477.db2.gz	ULRGTCVDTMDYOD-QTPRHWQCSA-N	-1	0	448.519	6.019	1	30		IKEFRM
COc1cc(OCc2ccc3ccccc3n2)ccc1[C@H](O/N=C/C(=O)[O-])C1CCCCC1	ZINC000013557880	562993478	/nfs/dbraw/zinc/99/34/78/562993478.db2.gz	OMFMRSCTQHDFIR-MOLSVDMISA-N	-1	0	448.519	5.531	1	30		IKEFRM
O=C([O-])/C=N/O[C@@H](c1ccc(OCc2cc(-c3ccccc3)on2)cc1)C1CCCCC1	ZINC000013557856	562993483	/nfs/dbraw/zinc/99/34/83/562993483.db2.gz	OFQHZQSNMFGPLV-HLHNIQGOSA-N	-1	0	434.492	5.629	1	30		IKEFRM
CSc1ccc(/C(=N\OCCCCC(=O)[O-])[C@@H](Cc2ccccc2)n2ccnc2)cc1	ZINC000013738911	563002989	/nfs/dbraw/zinc/00/29/89/563002989.db2.gz	WENVBWJMYILCLS-GLOZLRHISA-N	-1	0	437.565	5.065	1	30		IKEFRM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)[C@H](C#N)C(=O)[O-])cc1	ZINC000013756162	563004491	/nfs/dbraw/zinc/00/44/91/563004491.db2.gz	TURBSGRQDCXYTO-UPVQGACJSA-N	-1	0	438.531	5.015	1	30		IKEFRM
COc1ccc(C(=O)[O-])cc1C(=O)/C=C/c1ccc(OCc2ccc3ccccc3n2)cc1	ZINC000013761603	563005326	/nfs/dbraw/zinc/00/53/26/563005326.db2.gz	FLDYGLHLJSKGRL-RIYZIHGNSA-N	-1	0	439.467	5.417	1	30		IKEFRM
O=C(C=Cc1cccc(OCc2ccc3ccccc3c2)c1)c1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000013761568	563005328	/nfs/dbraw/zinc/00/53/28/563005328.db2.gz	HLCGVVPFNRMKAU-FMIVXFBMSA-N	-1	0	448.482	5.201	1	30		IKEFRM
O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC([O-])=C1SCCc1ccccc1	ZINC000013766498	563005672	/nfs/dbraw/zinc/00/56/72/563005672.db2.gz	XOJSRECRYUOMER-HHHXNRCGSA-N	-1	0	430.569	6.207	1	30		IKEFRM
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H](CC(=O)[O-])[C@@H]([C@@]3(C)CC[C@@H](CC#N)O3)CC[C@]12C	ZINC000013862226	563012849	/nfs/dbraw/zinc/01/28/49/563012849.db2.gz	XOFGVIPVOIPDNS-BWJAHESNSA-N	-1	0	431.661	6.834	1	30		IKEFRM
C/C(C[C@@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@@H](c1ccccc1)c1ccccn1	ZINC000026020690	563028641	/nfs/dbraw/zinc/02/86/41/563028641.db2.gz	DUNMYNKZODHPRF-RXCHICBSSA-N	-1	0	444.531	5.222	1	30		IKEFRM
C/C(C[C@@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@H](c1ccccc1)c1ccccn1	ZINC000026020704	563028701	/nfs/dbraw/zinc/02/87/01/563028701.db2.gz	DUNMYNKZODHPRF-GOPJUIEXSA-N	-1	0	444.531	5.222	1	30		IKEFRM
O=C([O-])CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N\OC(c3ccccc3)c3ccccc3)[C@H]2C1	ZINC000026173789	563029477	/nfs/dbraw/zinc/02/94/77/563029477.db2.gz	LYEHCNJYZOFHGX-CTTVXKRQSA-N	-1	0	433.548	5.367	1	30		IKEFRM
CC1(C)CC=C(c2ccc(C(F)(F)F)cc2)c2cc(C#Cc3ccc(C(=O)[O-])cc3)ccc21	ZINC000027648652	563045138	/nfs/dbraw/zinc/04/51/38/563045138.db2.gz	IJTAKWJCOFQAIB-UHFFFAOYSA-N	-1	0	446.468	6.916	1	30		IKEFRM
CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	ZINC000028251140	563052189	/nfs/dbraw/zinc/05/21/89/563052189.db2.gz	YKLKWVPILPSFGW-DBXWQHBBSA-N	-1	0	439.618	5.948	1	30		IKEFRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F	ZINC000028461340	563055063	/nfs/dbraw/zinc/05/50/63/563055063.db2.gz	YSMBXRWNJCPDNE-UHFFFAOYSA-N	-1	0	431.741	5.071	1	30		IKEFRM
N#Cc1c(=O)[n-]c(-c2cc(Cl)ccc2O)cc1-c1cc(C(F)(F)F)ccc1Cl	ZINC000028821562	563065382	/nfs/dbraw/zinc/06/53/82/563065382.db2.gz	HDKUBJYDFUJSOG-UHFFFAOYSA-N	-1	0	425.193	5.612	1	30		IKEFRM
Cc1cc(SC2=C([O-])O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1N	ZINC000029253273	563077402	/nfs/dbraw/zinc/07/74/02/563077402.db2.gz	ORDVXSHNZUBPPR-VWLOTQADSA-N	-1	0	441.593	5.780	1	30		IKEFRM
COc1cc(OCC(=O)[O-])c(/C=C/C(=O)c2ccccc2)cc1-c1cc2ccccc2s1	ZINC000029310772	563077534	/nfs/dbraw/zinc/07/75/34/563077534.db2.gz	RILPARQSVNOCMD-VAWYXSNFSA-N	-1	0	444.508	5.936	1	30		IKEFRM
CC(C)C[C@@]1(C(=O)[O-])C[C@H](C#N)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1	ZINC000033495794	563084517	/nfs/dbraw/zinc/08/45/17/563084517.db2.gz	HVHPUSJJNKGXHK-YJLYGGOZSA-N	-1	0	439.581	5.037	1	30		IKEFRM
CCCCCCCCCCn1c(C)c(CC(N)=O)c2cc(OCCCC(=O)[O-])ccc21	ZINC000036175947	563091459	/nfs/dbraw/zinc/09/14/59/563091459.db2.gz	ZMBLQELXIWUNHG-UHFFFAOYSA-N	-1	0	430.589	5.362	1	30		IKEFRM
CCCCCCCCN(C)S(=O)(=O)N=C([O-])Nc1c(C(C)C)cccc1C(C)C	ZINC000036330853	563092942	/nfs/dbraw/zinc/09/29/42/563092942.db2.gz	HBZXCNUCTKUOJF-UHFFFAOYSA-N	-1	0	425.639	5.592	1	30		IKEFRM
CCCCCCCCN1c2ccccc2O[C@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000036757772	563095766	/nfs/dbraw/zinc/09/57/66/563095766.db2.gz	LNTYAGDQZADOFC-XMMPIXPASA-N	-1	0	439.552	5.237	1	30		IKEFRM
CCC[C@@]1(Cc2cccc3ccccc32)CC(=O)C(Sc2ccccc2CC)=C([O-])O1	ZINC000038149509	563096472	/nfs/dbraw/zinc/09/64/72/563096472.db2.gz	CVAWNUUBSWFOOK-HHHXNRCGSA-N	-1	0	432.585	6.992	1	30		IKEFRM
CCCCCCCCCCCCn1c2nc(=O)[n-]c(=O)c-2cc2cccc([N+](=O)[O-])c21	ZINC000038152102	563096687	/nfs/dbraw/zinc/09/66/87/563096687.db2.gz	QZCMSNWAGZHACJ-UHFFFAOYSA-N	-1	0	426.517	5.019	1	30		IKEFRM
CCCCOc1ccc(/C=C/C(=O)c2c([O-])c(Br)c(OC)cc2OC)cc1	ZINC000040412233	563101839	/nfs/dbraw/zinc/10/18/39/563101839.db2.gz	PYRYWBKCIOUJSM-DHZHZOJOSA-N	-1	0	435.314	5.247	1	30		IKEFRM
CC(C)=CCC1=C2O[C@@H](C(C)(C)O)C[C@@]2(CC=C(C)C)C([O-])=C(C(=O)CC(C)C)C1=O	ZINC000040414078	563102051	/nfs/dbraw/zinc/10/20/51/563102051.db2.gz	UFNSPVPZCKZBHN-IBVKSMDESA-N	-1	0	430.585	5.509	1	30		IKEFRM
C=C(CC)C(=O)c1ccc(OCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c(Cl)c1Cl	ZINC000040420484	563102157	/nfs/dbraw/zinc/10/21/57/563102157.db2.gz	VINLHEAHOMCHAT-IZZDOVSWSA-N	-1	0	448.302	5.258	1	30		IKEFRM
Cc1oc(-c2ccc(C)cc2)nc1CCCCCO/N=C(/CCC(=O)[O-])c1ccccc1	ZINC000040934025	563112303	/nfs/dbraw/zinc/11/23/03/563112303.db2.gz	JCVHOVLJKALOTA-COOPMVRXSA-N	-1	0	434.536	5.957	1	30		IKEFRM
CCCCCCCCCCCCCCC[P@@](=O)([O-])O[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043356567	563120122	/nfs/dbraw/zinc/12/01/22/563120122.db2.gz	MUHCFQDKSQLITD-OAQYLSRUSA-O	-1	0	436.594	5.829	1	30		IKEFRM
CCCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CC(=O)[O-])c2C	ZINC000043010772	563116466	/nfs/dbraw/zinc/11/64/66/563116466.db2.gz	ZLKLYKRETIYWEH-UHFFFAOYSA-N	-1	0	430.633	6.028	1	30		IKEFRM
CCCCCCCCCCCCCCCCCC(=O)c1c2ccccc2[nH]c1CC(=O)[O-]	ZINC000043285592	563119953	/nfs/dbraw/zinc/11/99/53/563119953.db2.gz	VKKQJUNXWDBCBD-UHFFFAOYSA-N	-1	0	441.656	8.239	1	30		IKEFRM
CCCCCC/C=C/CC(=O)N[C@H](CCC(=O)[O-])CSc1ccc2ccccc2c1	ZINC000043411482	563120251	/nfs/dbraw/zinc/12/02/51/563120251.db2.gz	PLKZQOUEMBHADV-VQKOGROQSA-N	-1	0	427.610	6.198	1	30		IKEFRM
CCCCCCC[C@@H](O/N=C(\C)C(=O)[O-])c1ccc(OCc2ccc3ccccc3n2)cc1	ZINC000043422819	563120321	/nfs/dbraw/zinc/12/03/21/563120321.db2.gz	HUZBXACPNCGJKX-BSKSBMDWSA-N	-1	0	448.563	6.693	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)OC[C@H](C[C@@H](F)[P@@](=O)([O-])O)OC	ZINC000043481932	563120541	/nfs/dbraw/zinc/12/05/41/563120541.db2.gz	AXYAECHUOCJWMS-PMACEKPBSA-N	-1	0	440.533	5.889	1	30		IKEFRM
CCCCCCCCCCCC(=O)NCc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1	ZINC000043617581	563120979	/nfs/dbraw/zinc/12/09/79/563120979.db2.gz	RAEXCZJKEFOKAQ-RDPSFJRHSA-N	-1	0	446.632	5.453	1	30		IKEFRM
CCCCCCCCCCCCCCCCNc1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000043705840	563121153	/nfs/dbraw/zinc/12/11/53/563121153.db2.gz	YHSSFEMRYVBBNF-UHFFFAOYSA-N	-1	0	438.678	6.844	1	30		IKEFRM
CCCCCCCCCCCCn1c2cc(C(F)(F)F)ccc2cc2c(=O)[n-]c(=O)nc1-2	ZINC000043781241	563121284	/nfs/dbraw/zinc/12/12/84/563121284.db2.gz	HJKYXNXXSIIVFY-UHFFFAOYSA-N	-1	0	449.517	6.129	1	30		IKEFRM
CCCCCCCC[C@@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)[O-]	ZINC000044359778	563121909	/nfs/dbraw/zinc/12/19/09/563121909.db2.gz	QYKUCVDFRJUBBG-GOSISDBHSA-N	-1	0	436.021	6.786	1	30		IKEFRM
CCCCCCCN(CCc1ccc(OC(C)(C)C(=O)[O-])cc1)c1nc2ccccc2o1	ZINC000044431001	563122142	/nfs/dbraw/zinc/12/21/42/563122142.db2.gz	MMVUCPZZXMPIPE-UHFFFAOYSA-N	-1	0	438.568	6.089	1	30	in-vitro	IKEFRM
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000044417497	563122155	/nfs/dbraw/zinc/12/21/55/563122155.db2.gz	GZSCLHZCZQDVNG-UHFFFAOYSA-N	-1	0	425.635	6.608	1	30		IKEFRM
N#Cc1c(N)nc(-c2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)cc1-c1ccccc1O	ZINC000045288359	563128578	/nfs/dbraw/zinc/12/85/78/563128578.db2.gz	QKVQRCQIZWRGST-UHFFFAOYSA-N	-1	0	447.450	5.054	1	30		IKEFRM
CCCCCCCCO/N=C(/c1ccc(Cl)cc1)c1ccc(OC(C)(C)C(=O)[O-])cc1	ZINC000049785758	563139794	/nfs/dbraw/zinc/13/97/94/563139794.db2.gz	LYSKVYSDVYJIDE-VYIQYICTSA-N	-1	0	445.987	6.712	1	30		IKEFRM
CCCCCCCCCOc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C	ZINC000049888676	563140562	/nfs/dbraw/zinc/14/05/62/563140562.db2.gz	KOIVLPUPQPICGV-CRXYYGHGSA-N	-1	0	442.684	8.034	1	30		IKEFRM
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1Cl	ZINC000058576175	563144852	/nfs/dbraw/zinc/14/48/52/563144852.db2.gz	ABRSQONXUKMPNK-URXFXBBRSA-N	-1	0	445.881	5.577	1	30		IKEFRM
C[C@]12CCc3cc(C(=O)[O-])ccc3C1=NN(c1ccc(C#N)c(Cl)c1)[C@H]2C1CCCC1	ZINC000058592292	563145627	/nfs/dbraw/zinc/14/56/27/563145627.db2.gz	PPFCSJSDICUJFB-ZCYQVOJMSA-N	-1	0	433.939	5.645	1	30		IKEFRM
C=CCO/N=C1\C[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)c2cc(Br)c(C(C)C)cc21	ZINC000064548721	563155562	/nfs/dbraw/zinc/15/55/62/563155562.db2.gz	CYZHLGVDDXBBAK-BFGSXKJUSA-N	-1	0	448.401	6.032	1	30		IKEFRM
Cc1ccc(S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2)cc1	ZINC000064746459	563156800	/nfs/dbraw/zinc/15/68/00/563156800.db2.gz	QCVBQCMXGVGRMX-FYJGNVAPSA-N	-1	0	425.893	6.278	1	30		IKEFRM
CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4c(C#N)c(C(=O)[O-])ccc4[C@H]3CC[C@]12C)C(C)C	ZINC000066258490	563160239	/nfs/dbraw/zinc/16/02/39/563160239.db2.gz	RDMOHBOLNXOXOL-FEBXYHBTSA-N	-1	0	436.596	5.374	1	30		IKEFRM
C=C[C@H]1[C@]2(C)CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]3(C)[C@H]2CC[C@]1(C)[C@@H](C)C(=O)[O-]	ZINC000066263596	563161032	/nfs/dbraw/zinc/16/10/32/563161032.db2.gz	JIJBCKTUZZUZGI-DIEYUIMASA-N	-1	0	442.728	8.365	1	30	in-vitro	IKEFRM
CC#C[C@@H](CC(=O)[O-])c1ccc(O[C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)cc1	ZINC000071334571	563162585	/nfs/dbraw/zinc/16/25/85/563162585.db2.gz	RDGSLINMZIQBIF-NZQKXSOJSA-N	-1	0	431.557	6.157	1	30		IKEFRM
CCCCCCCCc1ccc(CC/C(C)=C/CSC[C@H](NC(C)=O)C(=O)[O-])cc1	ZINC000072117068	563163772	/nfs/dbraw/zinc/16/37/72/563163772.db2.gz	PCSXLYZZPLFMGG-ARHOYUFESA-N	-1	0	433.658	5.791	1	30		IKEFRM
CC[C@H](C)C(=O)C1=C([O-])C(C)=C2O[C@@H]([C@@](C)(O)CCC=C(C)C)C[C@@]2(CC=C(C)C)C1=O	ZINC000072179080	563166458	/nfs/dbraw/zinc/16/64/58/563166458.db2.gz	GKXZMMSWIIFNIR-SZYNBRQFSA-N	-1	0	444.612	5.899	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)O[C@@H](COC(C)=O)CO[P@@H](=O)[O-]	ZINC000073316553	563172488	/nfs/dbraw/zinc/17/24/88/563172488.db2.gz	AGDJKQLNTZTJGK-FQEVSTJZSA-N	-1	0	436.526	5.341	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1ccnc(-c2ccc(OC(C)C)c(C#N)c2)n1	ZINC000084688089	563175995	/nfs/dbraw/zinc/17/59/95/563175995.db2.gz	UCYGQEKDLZWYKE-UHFFFAOYSA-N	-1	0	429.520	5.439	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)s1	ZINC000084705175	563176723	/nfs/dbraw/zinc/17/67/23/563176723.db2.gz	OXGQQGFOOMMLIH-UHFFFAOYSA-N	-1	0	435.549	5.501	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1cc(-c2ccc(OC(C)C)c(C#N)c2)ncn1	ZINC000084706423	563176880	/nfs/dbraw/zinc/17/68/80/563176880.db2.gz	KYDONPSCDWUGQM-UHFFFAOYSA-N	-1	0	429.520	5.439	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1nccc(-c2ccc(OC(C)C)c(C#N)c2)n1	ZINC000084729870	563178422	/nfs/dbraw/zinc/17/84/22/563178422.db2.gz	KYMKAPJZRWUNEN-UHFFFAOYSA-N	-1	0	429.520	5.439	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)[N-]S(=O)(=O)Oc1ccc(OC)cc1	ZINC000084731187	563178664	/nfs/dbraw/zinc/17/86/64/563178664.db2.gz	SLIHMLCPDXWPJR-UHFFFAOYSA-N	-1	0	441.634	6.757	1	30		IKEFRM
CC(C)C[C@H](C(=O)[O-])c1cc(C#N)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1	ZINC000095572549	563184890	/nfs/dbraw/zinc/18/48/90/563184890.db2.gz	RQXFZUNJOJYKOH-NRFANRHFSA-N	-1	0	431.454	6.247	1	30		IKEFRM
COc1c(C(=O)OC(C)(C)C)cc(/C(CSc2ccccc2)=N/[O-])cc1C(C)(C)C	ZINC000095578218	563186617	/nfs/dbraw/zinc/18/66/17/563186617.db2.gz	LGRGTWMKHBROJW-LKUDQCMESA-N	-1	0	429.582	5.919	1	30		IKEFRM
Cc1cnc([N-]S(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)s1	ZINC000095581228	563187568	/nfs/dbraw/zinc/18/75/68/563187568.db2.gz	COHJDHITLPHCOY-UHFFFAOYSA-N	-1	0	447.541	5.583	1	30		IKEFRM
N#Cc1cc(S(=O)(=O)[N-]c2ncc(Cl)s2)ccc1Oc1ccccc1C1CC1	ZINC000095582497	563187853	/nfs/dbraw/zinc/18/78/53/563187853.db2.gz	ONAHMEFQENTIIU-UHFFFAOYSA-N	-1	0	431.926	5.139	1	30		IKEFRM
N#Cc1cc(S(=O)(=O)[N-]c2cccs2)ccc1Oc1ccccc1-c1ccccc1	ZINC000095582917	563188071	/nfs/dbraw/zinc/18/80/71/563188071.db2.gz	HFVNRUVVLXWFKK-UHFFFAOYSA-N	-1	0	432.526	5.880	1	30		IKEFRM
N#Cc1cc(S(=O)(=O)[N-]c2cscn2)ccc1Oc1ccccc1-c1ccccc1	ZINC000095585289	563188846	/nfs/dbraw/zinc/18/88/46/563188846.db2.gz	XPWUZTFUDIECTH-UHFFFAOYSA-N	-1	0	433.514	5.275	1	30		IKEFRM
O=C1c2ccccc2C(=O)C([C@@H](Sc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)=C1[O-]	ZINC000095593928	563190857	/nfs/dbraw/zinc/19/08/57/563190857.db2.gz	ZWROSILJQJXHDT-QHCPKHFHSA-N	-1	0	435.432	5.459	1	30		IKEFRM
Cc1ccc(S[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000095594192	563190951	/nfs/dbraw/zinc/19/09/51/563190951.db2.gz	LOHBSYDRRCTVLD-DEOSSOPVSA-N	-1	0	431.469	5.628	1	30		IKEFRM
CCCCCCCCCCCC(=O)NCC(C)(C)CC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000095596136	563191451	/nfs/dbraw/zinc/19/14/51/563191451.db2.gz	BCJOKNMJJSKICX-UHFFFAOYSA-N	-1	0	441.612	6.331	1	30		IKEFRM
O=C([O-])c1cc2c(cc1O)oc(-c1ccccc1)c2C#Cc1ccc(OC(F)(F)F)cc1	ZINC000095597206	563191801	/nfs/dbraw/zinc/19/18/01/563191801.db2.gz	CMOKPKRDZUEWNH-UHFFFAOYSA-N	-1	0	438.357	5.802	1	30		IKEFRM
Cc1cc(/N=C/c2cc(Br)c([O-])c(Br)c2)c(C(C)C)cc1O	ZINC000095597419	563191885	/nfs/dbraw/zinc/19/18/85/563191885.db2.gz	HNDDJLZAEFIPPF-DNTJNYDQSA-N	-1	0	427.136	5.805	1	30		IKEFRM
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)[O-]	ZINC000085589951	571785660	/nfs/dbraw/zinc/78/56/60/571785660.db2.gz	ALGJSAHUUYIAIZ-UHFFFAOYSA-N	-1	0	425.698	7.789	1	30	endogenous,in-man	IKEFRM
O=C1CC(c2ccccc2)(c2ccccc2)OC([O-])=C1Sc1ccccc1C1CCCC1	ZINC000101320069	581101600	/nfs/dbraw/zinc/10/16/00/581101600.db2.gz	SBFDACRAMQQLFR-UHFFFAOYSA-N	-1	0	442.580	7.097	1	30		IKEFRM
C=C1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(O)[C@H]5CC[C@]43C)[C@H]2C1	ZINC000059588526	291394752	/nfs/dbraw/zinc/39/47/52/291394752.db2.gz	VIDISXWZNJLDBI-OIQUFLOESA-N	-1	0	442.640	5.488	1	30	biogenic,in-vitro	IKEFRM
CCCCCC/C=C\CCC[C@@H]1CC[C@@H](Cc2ccccc2)[C@H]([C@H](C(=O)[O-])[C@H](C)O)C1	ZINC000085505893	291402024	/nfs/dbraw/zinc/40/20/24/291402024.db2.gz	QPZGZYYCTJEEJI-BTVDXJKPSA-N	-1	0	428.657	7.040	1	30	biogenic,in-vitro	IKEFRM
C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@H]3[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12	ZINC000003978803	560192774	/nfs/dbraw/zinc/19/27/74/560192774.db2.gz	KGUHFCVSCDQVEU-GZSBFPIHSA-N	-1	0	442.684	6.699	3	30	in-vitro	IKEFRM
C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@H]3[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]34C)[C@@H]12	ZINC000013298726	560213867	/nfs/dbraw/zinc/21/38/67/560213867.db2.gz	KGUHFCVSCDQVEU-PNGXNNPPSA-N	-1	0	442.684	6.699	3	30	in-vitro	IKEFRM
CC1(C)CCC(C)(C)c2cc(/C(=N/O)c3ccc(C(=O)[O-])cc3)c(Br)cc21	ZINC000003834066	562939100	/nfs/dbraw/zinc/93/91/00/562939100.db2.gz	FBJUMKRFTWRRAE-LYBHJNIJSA-N	-1	0	430.342	5.723	1	30		IKEFRM
Cc1[n-]n(-c2ncc(-c3ccccc3)s2)c(=O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N	ZINC000013151871	562985515	/nfs/dbraw/zinc/98/55/15/562985515.db2.gz	BGAVJZLWCJRXEB-NRFANRHFSA-N	-1	0	445.935	5.046	3	30		IKEFRM
N#Cc1cccc(C(=O)Nc2c3ccccc3ccc2C([O-])(C(F)(F)F)C(F)(F)F)c1	ZINC000013489811	562990019	/nfs/dbraw/zinc/99/00/19/562990019.db2.gz	VBVOEWMIAMXPPB-UHFFFAOYSA-N	-1	0	438.327	5.276	1	30		IKEFRM
C/C(=N\O[C@@H](c1ccc(OCc2nc3ccccc3s2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557836	562993456	/nfs/dbraw/zinc/99/34/56/562993456.db2.gz	SZFQFDCSEAMMHM-VUEBRRCKSA-N	-1	0	438.549	5.974	1	30		IKEFRM
C/C(=N\O[C@H](c1ccc(OCc2ccc3ccccc3n2)c(C)c1)C1CCCCC1)C(=O)[O-]	ZINC000013557885	562993466	/nfs/dbraw/zinc/99/34/66/562993466.db2.gz	ZBZNIKTVTHQJBU-QICHVEDASA-N	-1	0	446.547	6.221	1	30		IKEFRM
C/C(=N\O[C@H](c1ccc(OCc2nc3ccccc3s2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557835	562993467	/nfs/dbraw/zinc/99/34/67/562993467.db2.gz	SZFQFDCSEAMMHM-LRULAXNGSA-N	-1	0	438.549	5.974	1	30		IKEFRM
C/C(=N\O[C@@H](c1ccc(OCc2nc3ccccc3n2C)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557868	562993471	/nfs/dbraw/zinc/99/34/71/562993471.db2.gz	IUJPEULHUBJJEE-FXZATJRASA-N	-1	0	435.524	5.251	1	30		IKEFRM
O=C([O-])/C=N/O[C@H](c1ccc(OCc2nc3cc(F)ccc3s2)cc1)C1CCCCC1	ZINC000013557843	562993472	/nfs/dbraw/zinc/99/34/72/562993472.db2.gz	JHKKPUDUFOIHDK-SKZKPWFZSA-N	-1	0	442.512	5.723	1	30		IKEFRM
O=C([O-])/C=N/O[C@@H](c1ccc(OCc2ccc3ccccc3n2)c(F)c1)C1CCCCC1	ZINC000013557888	562993479	/nfs/dbraw/zinc/99/34/79/562993479.db2.gz	XYCLZXJBXSHKAP-RXKZJVHISA-N	-1	0	436.483	5.661	1	30		IKEFRM
N#Cc1ccc(OCc2ccsc2)cc1O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F	ZINC000013558019	562993506	/nfs/dbraw/zinc/99/35/06/562993506.db2.gz	DOBAMTNAGGMTSB-IBGZPJMESA-N	-1	0	433.407	5.422	1	30		IKEFRM
O=C([O-])c1cc(Cl)ccc1N=CC1=NC(c2ccc(C(F)(F)F)c(F)c2)OC1=O	ZINC000013588220	562995889	/nfs/dbraw/zinc/99/58/89/562995889.db2.gz	ZJBPGCFRAKGMSZ-HCBMXOAHSA-N	-1	0	428.725	5.307	1	30		IKEFRM
[O-]c1c(Br)cc(/C=N/Oc2cccc(C(F)(F)F)c2)cc1Br	ZINC000013611064	562997749	/nfs/dbraw/zinc/99/77/49/562997749.db2.gz	YKGCZLGARRCNGF-IFRROFPPSA-N	-1	0	439.025	5.349	1	30		IKEFRM
CSc1ccc(/C(=N\OCCCCC(=O)[O-])[C@H](Cc2ccccc2)n2ccnc2)cc1	ZINC000013738912	563002961	/nfs/dbraw/zinc/00/29/61/563002961.db2.gz	WENVBWJMYILCLS-PEGRNHCYSA-N	-1	0	437.565	5.065	1	30		IKEFRM
O=C([O-])c1cccc(C(=O)/C=C/c2cccc(OCc3ccc4ccccc4n3)c2)c1O	ZINC000013761581	563005276	/nfs/dbraw/zinc/00/52/76/563005276.db2.gz	KGNOOMFHDAFWMR-SDNWHVSQSA-N	-1	0	425.440	5.114	1	30		IKEFRM
Cc1ccccc1[C@@H](CCC(=O)[O-])Oc1cc(OCc2ccc3c(c2)OCO3)ccc1C#N	ZINC000013780346	563006405	/nfs/dbraw/zinc/00/64/05/563006405.db2.gz	FYSOOPQBBYQVJU-JOCHJYFZSA-N	-1	0	445.471	5.159	1	30		IKEFRM
C=CC[C@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1	ZINC000013834175	563011894	/nfs/dbraw/zinc/01/18/94/563011894.db2.gz	CMNLOAUYHHYCHS-HSZRJFAPSA-N	-1	0	439.511	6.374	1	30		IKEFRM
C/C(C[C@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@@H](c1ccccc1)c1ccncc1	ZINC000013904298	563013903	/nfs/dbraw/zinc/01/39/03/563013903.db2.gz	NXAGVGKQFQTDAH-XHXFFDMNSA-N	-1	0	444.531	5.222	1	30		IKEFRM
C=C(COc1ccc(OC(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1	ZINC000013981356	563014172	/nfs/dbraw/zinc/01/41/72/563014172.db2.gz	ZNGHNRMWUHQCML-UHFFFAOYSA-N	-1	0	428.428	5.084	1	30		IKEFRM
CCCC/C(C)=C/C=C(\C)C(=O)c1c([O-])cc([C@H](C)CC/C=C\NC(=O)OC)oc1=O	ZINC000014611919	563014648	/nfs/dbraw/zinc/01/46/48/563014648.db2.gz	SPQDIDVJAZFBRL-NPRYNXTDSA-N	-1	0	431.529	5.364	1	30		IKEFRM
C/C(C[C@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@H](c1ccccc1)c1ccccn1	ZINC000026020712	563028643	/nfs/dbraw/zinc/02/86/43/563028643.db2.gz	DUNMYNKZODHPRF-IXTUPJCFSA-N	-1	0	444.531	5.222	1	30		IKEFRM
C/C(C[C@@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@@H](c1ccccc1)c1cccnc1	ZINC000026027007	563028849	/nfs/dbraw/zinc/02/88/49/563028849.db2.gz	BEQOMUMUYUCLGG-RXCHICBSSA-N	-1	0	444.531	5.222	1	30		IKEFRM
C/C(=N\O[C@@H](c1ccc(OCC2=COc3ccccc3O2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000027747040	563046687	/nfs/dbraw/zinc/04/66/87/563046687.db2.gz	YNZGEIPAAWXABT-OTZYPNAKSA-N	-1	0	437.492	5.477	1	30		IKEFRM
C/C(=N\O[C@H](c1ccc(OCC2=COc3ccccc3O2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000027747031	563046746	/nfs/dbraw/zinc/04/67/46/563046746.db2.gz	YNZGEIPAAWXABT-MSIOFZDNSA-N	-1	0	437.492	5.477	1	30		IKEFRM
CC(C)c1ccccc1SC1=C([O-])O[C@@](CCCCC(N)=O)(c2ccccc2)CC1=O	ZINC000027845761	563047259	/nfs/dbraw/zinc/04/72/59/563047259.db2.gz	FLWNJUFVMJEULB-RUZDIDTESA-N	-1	0	439.577	5.560	1	30		IKEFRM
CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	ZINC000028251132	563052194	/nfs/dbraw/zinc/05/21/94/563052194.db2.gz	YKLKWVPILPSFGW-LVCYWYKZSA-N	-1	0	439.618	5.948	1	30		IKEFRM
CCCC/C(C)=C\C=C(\C)C(=O)c1c([O-])cc([C@H](C)CC/C=C/NC(=O)OC)oc1=O	ZINC000028398199	563054646	/nfs/dbraw/zinc/05/46/46/563054646.db2.gz	SPQDIDVJAZFBRL-HCZKYIOESA-N	-1	0	431.529	5.364	1	30		IKEFRM
CC(C)(COC(=O)c1ccc2ccccc2c1O)CC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000028458360	563054873	/nfs/dbraw/zinc/05/48/73/563054873.db2.gz	OLVDBSZOYJNEOZ-UHFFFAOYSA-N	-1	0	430.456	5.010	1	30		IKEFRM
C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)[O-]	ZINC000028637930	563059942	/nfs/dbraw/zinc/05/99/42/563059942.db2.gz	UPKROLOLJKAWPU-NFNMRRJISA-N	-1	0	440.712	8.573	1	30		IKEFRM
CCO/N=C(\C)[C@@H](Cc1ccc(OCc2nc(-c3ccc(F)cc3)oc2C)cc1)C(=O)[O-]	ZINC000028702632	563061572	/nfs/dbraw/zinc/06/15/72/563061572.db2.gz	PDJDJLSWRMOUQW-VJWWNUEDSA-N	-1	0	440.471	5.024	1	30		IKEFRM
N#Cc1ccc(OCc2ccc(F)cc2F)c(C2=C(c3cccc(C(=O)[O-])c3)CCC2)c1	ZINC000028819274	563065168	/nfs/dbraw/zinc/06/51/68/563065168.db2.gz	IMBHIUBZBSVFLA-UHFFFAOYSA-N	-1	0	431.438	6.208	1	30		IKEFRM
CCOc1ccccc1-c1ccc(-c2nc3ccccc3c(N[C@H](C)C(=O)[O-])c2C#N)cc1	ZINC000028897655	563068823	/nfs/dbraw/zinc/06/88/23/563068823.db2.gz	UXDIQNWZOHMMMV-QGZVFWFLSA-N	-1	0	437.499	5.724	1	30		IKEFRM
CCC/C(=N\OCC1CCCCC1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028976910	563071482	/nfs/dbraw/zinc/07/14/82/563071482.db2.gz	OWVAIDBZECIQJO-XQNSMLJCSA-N	-1	0	440.915	5.703	1	30		IKEFRM
C/C(=N\Oc1cccc(Cl)c1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028977232	563071495	/nfs/dbraw/zinc/07/14/95/563071495.db2.gz	GIESGKWYQORTGZ-ZVBGSRNCSA-N	-1	0	427.231	5.058	1	30		IKEFRM
CC(C)c1ccc2c(CCCCN=NC(=S)Nc3ccccc3)cc(C(=O)[O-])c-2cc1	ZINC000029408438	563079762	/nfs/dbraw/zinc/07/97/62/563079762.db2.gz	DFYBUEQWLPDVMB-CVKSISIWSA-N	-1	0	433.577	6.319	1	30		IKEFRM
C=CCn1cc(Cc2ccc(C(=O)[O-])cc2OC)c2cc(NC(=O)CCCCC)ccc21	ZINC000029473141	563080746	/nfs/dbraw/zinc/08/07/46/563080746.db2.gz	BCAMIZHAPSZMID-UHFFFAOYSA-N	-1	0	434.536	5.644	1	30		IKEFRM
Cc1cc(CCC(=O)[O-])ccc1-c1nnc(-c2ccc(-c3cccs3)c(C#N)c2)s1	ZINC000035984382	563090591	/nfs/dbraw/zinc/09/05/91/563090591.db2.gz	IXUYOKHQKZFALL-UHFFFAOYSA-N	-1	0	431.542	5.798	1	30		IKEFRM
CCCCCCCCCCOc1ccc(OC[C@H](O)COc2ccc(C(=O)[O-])cc2)cc1	ZINC000036144257	563091285	/nfs/dbraw/zinc/09/12/85/563091285.db2.gz	JUBVMFKNYMYADX-JOCHJYFZSA-N	-1	0	444.568	5.723	1	30		IKEFRM
CC(C)(Cc1ccccc1C#N)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@H](c2cccnc2)O1	ZINC000036242614	563092291	/nfs/dbraw/zinc/09/22/91/563092291.db2.gz	JGIUOLFFELZEED-GOJHODMESA-N	-1	0	434.536	5.063	1	30		IKEFRM
CCCCCCCCc1ccc(OCC(=O)Cn2cc(C#N)c3cc(C(=O)[O-])ccc32)cc1	ZINC000036310626	563092675	/nfs/dbraw/zinc/09/26/75/563092675.db2.gz	CBXHHCBCHPWQAO-UHFFFAOYSA-N	-1	0	446.547	5.762	1	30		IKEFRM
CCCCCCCCCCCSC([O-])=NC(=O)Oc1c(C(C)C)cccc1C(C)C	ZINC000036349778	563093227	/nfs/dbraw/zinc/09/32/27/563093227.db2.gz	VWCGMAGYNUONGK-UHFFFAOYSA-N	-1	0	435.674	8.406	1	30		IKEFRM
CCCCCCCCCc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[n-]2)CO3)cc1	ZINC000038142609	563096106	/nfs/dbraw/zinc/09/61/06/563096106.db2.gz	WLYVFAOLHPVBSD-QFIPXVFZSA-N	-1	0	449.555	5.258	1	30		IKEFRM
CCC[C@]1(Cc2cccc3ccccc32)CC(=O)C(Sc2ccccc2CC)=C([O-])O1	ZINC000038149508	563096467	/nfs/dbraw/zinc/09/64/67/563096467.db2.gz	CVAWNUUBSWFOOK-MHZLTWQESA-N	-1	0	432.585	6.992	1	30		IKEFRM
CCCCCCCCCCCCCCCCCC(=O)c1c(C)c(CC(=O)[O-])n(C)c1C	ZINC000038155581	563096784	/nfs/dbraw/zinc/09/67/84/563096784.db2.gz	RYHPKWBLKASJLQ-UHFFFAOYSA-N	-1	0	433.677	7.713	1	30		IKEFRM
C=C1CCC[C@H]2[C@](C)(CC3=C([O-])C(=O)C=C(NCCc4ccccc4)C3=O)[C@@H](C)CC[C@@]12C	ZINC000038733586	563098236	/nfs/dbraw/zinc/09/82/36/563098236.db2.gz	CVUGQYANPDQHFV-DAORKYKSSA-N	-1	0	447.619	5.855	1	30		IKEFRM
CC(C)=CCC1=C2O[C@@H](C(C)(C)O)C[C@]2(CC=C(C)C)C([O-])=C(C(=O)CC(C)C)C1=O	ZINC000040414075	563102020	/nfs/dbraw/zinc/10/20/20/563102020.db2.gz	UFNSPVPZCKZBHN-FQRUVTKNSA-N	-1	0	430.585	5.509	1	30		IKEFRM
CC(C)=CCC1=C2O[C@H](C(C)(C)O)C[C@@]2(CC=C(C)C)C([O-])=C(C(=O)CC(C)C)C1=O	ZINC000040414084	563102058	/nfs/dbraw/zinc/10/20/58/563102058.db2.gz	UFNSPVPZCKZBHN-FNZWTVRRSA-N	-1	0	430.585	5.509	1	30		IKEFRM
C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000040423912	563102790	/nfs/dbraw/zinc/10/27/90/563102790.db2.gz	OMIPUCUDSDHBNM-FUAAEJBOSA-N	-1	0	442.684	6.699	1	30		IKEFRM
C=C(COc1ccc(Cl)c(C(F)(F)F)c1)CSc1ccc(OCC(=O)[O-])c(C)c1	ZINC000040893102	563110138	/nfs/dbraw/zinc/11/01/38/563110138.db2.gz	JXSPMVWKKYADDF-UHFFFAOYSA-N	-1	0	446.874	5.858	1	30		IKEFRM
CCCCCCCCCCCC(=O)c1c([O-])cc(CCCCCCCCCCC)oc1=O	ZINC000042764418	563115668	/nfs/dbraw/zinc/11/56/68/563115668.db2.gz	JIGTZBQPVRSJJE-UHFFFAOYSA-N	-1	0	448.688	8.522	1	30		IKEFRM
CCCCCCCCCCCCCCCCCC[P@@](=O)([O-])OCc1cccnc1	ZINC000043100264	563118575	/nfs/dbraw/zinc/11/85/75/563118575.db2.gz	ILOZCYOBDTUYRC-UHFFFAOYSA-N	-1	0	425.594	8.045	1	30		IKEFRM
CCCCCCCCCCS(=O)(=O)N[C@@H](CCCCCC)CO[P@@](=O)([O-])CC	ZINC000043323425	563120038	/nfs/dbraw/zinc/12/00/38/563120038.db2.gz	VDGFZFODLRHEKG-FQEVSTJZSA-N	-1	0	441.615	5.607	1	30		IKEFRM
CCCCCCCCCCCCCCCCCCCCOc1cccc(O)c1C(=O)[O-]	ZINC000043327992	563120055	/nfs/dbraw/zinc/12/00/55/563120055.db2.gz	WHCJGSDDLWQUCE-UHFFFAOYSA-N	-1	0	434.661	8.511	1	30		IKEFRM
CCCCCCCCCCCCCCC[P@@](=O)([O-])N[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043352747	563120129	/nfs/dbraw/zinc/12/01/29/563120129.db2.gz	GWCZBCXTORQLNW-OAQYLSRUSA-O	-1	0	435.610	5.402	1	30		IKEFRM
CCCCCCCCCCCCCCC[P@@](=O)([O-])N[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043352745	563120139	/nfs/dbraw/zinc/12/01/39/563120139.db2.gz	GWCZBCXTORQLNW-NRFANRHFSA-O	-1	0	435.610	5.402	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)C[C@H](F)[P@@](=O)([O-])O	ZINC000043481842	563120504	/nfs/dbraw/zinc/12/05/04/563120504.db2.gz	XNYDYIXHIQHKEW-RBUKOAKNSA-N	-1	0	426.506	5.235	1	30		IKEFRM
CCCCCCCCCSc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)[O-])cn1	ZINC000043574666	563120870	/nfs/dbraw/zinc/12/08/70/563120870.db2.gz	DGBAVIJKWSEQGF-UHFFFAOYSA-N	-1	0	425.554	5.746	1	30		IKEFRM
CCCCCCCC/C=C\CCCCCCCCc1c([O-])c2cc(C)c(C)cc2oc1=O	ZINC000043589875	563120942	/nfs/dbraw/zinc/12/09/42/563120942.db2.gz	XZBQEIXWQKADET-QXMHVHEDSA-N	-1	0	440.668	8.695	1	30		IKEFRM
CCCCCCCCCCCCCCCCNc1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1	ZINC000043599249	563120956	/nfs/dbraw/zinc/12/09/56/563120956.db2.gz	QFVJFKAUPIFRBZ-UHFFFAOYSA-N	-1	0	446.676	7.173	1	30		IKEFRM
CCCCCCCCCCCCCCCCNc1ccc(C([O-])=C(C)C(=O)OCC)cc1	ZINC000043599252	563120962	/nfs/dbraw/zinc/12/09/62/563120962.db2.gz	DBTSBLBWLGPEGE-XMMPIXPASA-N	-1	0	445.688	7.962	1	30		IKEFRM
CCCCCCCCCCCCCCC[P@@](=O)([O-])O[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043860458	563121382	/nfs/dbraw/zinc/12/13/82/563121382.db2.gz	MUHCFQDKSQLITD-NRFANRHFSA-O	-1	0	436.594	5.829	1	30		IKEFRM
CCCCCCCCCNC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000043888505	563121475	/nfs/dbraw/zinc/12/14/75/563121475.db2.gz	PKTSQIPVSBYOCH-QFIPXVFZSA-N	-1	0	432.561	5.199	1	30		IKEFRM
CCCCCCC/C=C/C(=O)CCCCCCCCC[C@H](CCCCCCC)C(=O)[O-]	ZINC000044352403	563121891	/nfs/dbraw/zinc/12/18/91/563121891.db2.gz	LMKTZOYZOYTOMH-LHAKLNOCSA-N	-1	0	436.721	9.044	1	30		IKEFRM
C/C(=N\OCCCCO/N=C(/CCC(=O)[O-])c1ccccc1)c1ccc2c(c1)CCCC2	ZINC000045339287	563131844	/nfs/dbraw/zinc/13/18/44/563131844.db2.gz	MTOASPZWVHPDGB-FZEFFVDLSA-N	-1	0	436.552	5.372	1	30		IKEFRM
N#Cc1c(=O)[n-]c(SCc2ccccc2)nc1-c1ccc(-c2cccc3ccccc32)cc1	ZINC000045391136	563134056	/nfs/dbraw/zinc/13/40/56/563134056.db2.gz	FQIWGNRKTVXXHJ-UHFFFAOYSA-N	-1	0	445.547	6.421	1	30		IKEFRM
CCOC(=O)C(C#N)=N[N-]c1n[nH]c(N)c1N=Nc1ccc(N=Nc2ccccc2)cc1	ZINC000049677900	563139074	/nfs/dbraw/zinc/13/90/74/563139074.db2.gz	YKVSCZBZUKUTGG-FCCLEMKUSA-N	-1	0	430.432	5.362	1	30		IKEFRM
CCCCCCCCCCc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000049771535	563139447	/nfs/dbraw/zinc/13/94/47/563139447.db2.gz	RFMUKGPIRHUZBI-UHFFFAOYSA-N	-1	0	426.509	5.966	1	30		IKEFRM
CCCCCCCCOc1ccc(OCC(=O)Cn2ccc3cc(C(=O)[O-])ccc32)cc1	ZINC000049777302	563139546	/nfs/dbraw/zinc/13/95/46/563139546.db2.gz	JWDCUJDFHXUHNG-UHFFFAOYSA-N	-1	0	437.536	5.727	1	30		IKEFRM
CCCCCCCCCCOc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064448494	563153400	/nfs/dbraw/zinc/15/34/00/563153400.db2.gz	XTDXIQVUZXPAEE-UHFFFAOYSA-N	-1	0	426.509	6.096	1	30		IKEFRM
CN(C)c1ccc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000064504024	563153944	/nfs/dbraw/zinc/15/39/44/563153944.db2.gz	MHYYCNBATUTOSF-HZHRSRAPSA-N	-1	0	435.520	5.747	1	30		IKEFRM
CC1(C)CC=C(C#Cc2ccccc2)c2ccc(C3=NO[C@H](c4ccc(C(=O)[O-])cc4)C3)cc21	ZINC000071296159	563161651	/nfs/dbraw/zinc/16/16/51/563161651.db2.gz	RQTNUVXKIAJZSF-NDEPHWFRSA-N	-1	0	447.534	6.367	1	30		IKEFRM
CCCCCCCCN(c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C	ZINC000071329842	563162330	/nfs/dbraw/zinc/16/23/30/563162330.db2.gz	IJUXMKSWUIMRBJ-UHFFFAOYSA-N	-1	0	435.652	8.232	1	30		IKEFRM
CC#C[C@@H](CC(=O)[O-])c1ccc(O[C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)cc1	ZINC000071334576	563162580	/nfs/dbraw/zinc/16/25/80/563162580.db2.gz	RDGSLINMZIQBIF-REWPJTCUSA-N	-1	0	431.557	6.157	1	30		IKEFRM
CCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000072175054	563165266	/nfs/dbraw/zinc/16/52/66/563165266.db2.gz	YCXCACWPVAVBCB-MRXNPFEDSA-N	-1	0	440.999	5.556	1	30		IKEFRM
CCCCCCCCCCCC(=O)c1c(C)c(CC(=O)[O-])n(Cc2ccccc2)c1C	ZINC000082158016	563173872	/nfs/dbraw/zinc/17/38/72/563173872.db2.gz	RURVELHOKKGHRM-UHFFFAOYSA-N	-1	0	425.613	6.884	1	30		IKEFRM
CCCCCCn1cc(COc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)c([O-])c2)nn1	ZINC000084672173	563175457	/nfs/dbraw/zinc/17/54/57/563175457.db2.gz	PMVLKTJFBLUBFK-MDWZMJQESA-N	-1	0	439.943	5.693	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])nccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1	ZINC000084687766	563175869	/nfs/dbraw/zinc/17/58/69/563175869.db2.gz	HJFZIEOLYPNJDJ-UHFFFAOYSA-N	-1	0	434.565	5.307	1	30		IKEFRM
Cc1cc(CCC#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(=O)[O-]	ZINC000095556774	563181512	/nfs/dbraw/zinc/18/15/12/563181512.db2.gz	LCDPGALFBOQNJT-UHFFFAOYSA-N	-1	0	426.476	5.448	1	30		IKEFRM
CC(C)(Oc1ccc(CCCOc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000095563876	563182999	/nfs/dbraw/zinc/18/29/99/563182999.db2.gz	KZPLJPWJYILVEI-XDHOZWIPSA-N	-1	0	444.527	5.836	1	30		IKEFRM
CC(C)=CCC[C@]1(C)C=Cc2c([O-])c(C(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2O1	ZINC000095592245	563190440	/nfs/dbraw/zinc/19/04/40/563190440.db2.gz	DFTSJFJZXRZHQK-CZNRWDAFSA-N	-1	0	443.370	7.506	1	30		IKEFRM
CC(C)=CCC[C@@]1(C)C=Cc2c([O-])c(C(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2O1	ZINC000095592246	563190460	/nfs/dbraw/zinc/19/04/60/563190460.db2.gz	DFTSJFJZXRZHQK-HJKZNEBBSA-N	-1	0	443.370	7.506	1	30		IKEFRM
Cc1cc(O)c(C(C)(C)C)cc1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000095594349	563191054	/nfs/dbraw/zinc/19/10/54/563191054.db2.gz	VRPYJVLDLUOYIW-ZVBGSRNCSA-N	-1	0	441.163	5.979	1	30		IKEFRM
Cc1cccc(S[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C([O-])C(=O)c3ccccc3C2=O)c1	ZINC000095597218	563191820	/nfs/dbraw/zinc/19/18/20/563191820.db2.gz	IRNJHPZGLPFAHN-DEOSSOPVSA-N	-1	0	431.469	5.628	1	30		IKEFRM
C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(=O)[O-]	ZINC000261498233	571863128	/nfs/dbraw/zinc/86/31/28/571863128.db2.gz	SATGKQGFUDXGAX-VARVXEJKSA-N	-1	0	430.629	5.632	1	30	endogenous,in-man	IKEFRM
C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-]	ZINC000261498231	571863282	/nfs/dbraw/zinc/86/32/82/571863282.db2.gz	SATGKQGFUDXGAX-FPOIHZDZSA-N	-1	0	430.629	5.632	1	30	endogenous,in-man	IKEFRM
C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-]	ZINC000261498234	571863286	/nfs/dbraw/zinc/86/32/86/571863286.db2.gz	SATGKQGFUDXGAX-WGEMEKATSA-N	-1	0	430.629	5.632	1	30	endogenous,in-man	IKEFRM
C=CCCCOC1=C(C(=O)[O-])[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21	ZINC000013473443	562988332	/nfs/dbraw/zinc/98/83/32/562988332.db2.gz	DSQSZBYLXUBISF-QHCPKHFHSA-N	-1	0	438.476	5.115	1	30		IKEFRM
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000013555548	562993142	/nfs/dbraw/zinc/99/31/42/562993142.db2.gz	RPTKRVXJNWPJLU-GOSISDBHSA-N	-1	0	445.733	6.569	1	30		IKEFRM
O=C([O-])/C=N/O[C@@H](CC1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1	ZINC000013557779	562993378	/nfs/dbraw/zinc/99/33/78/562993378.db2.gz	HIAYIJZVBAGPMY-YYYGAUAXSA-N	-1	0	432.520	5.912	1	30		IKEFRM
C/C(=N\O[C@H](c1cccs1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)[O-]	ZINC000013557794	562993380	/nfs/dbraw/zinc/99/33/80/562993380.db2.gz	SLKBLIXGHFOAKA-LRULAXNGSA-N	-1	0	432.501	5.442	1	30		IKEFRM
O=C([O-])/C=N/OC[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1	ZINC000013557800	562993386	/nfs/dbraw/zinc/99/33/86/562993386.db2.gz	RVWGMIRPEXXBLC-UJBXUPAJSA-N	-1	0	432.520	5.565	1	30		IKEFRM
CC/C(=N\O[C@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557719	562993407	/nfs/dbraw/zinc/99/34/07/562993407.db2.gz	HMFDOECOZXPNOK-KFRXSKPZSA-N	-1	0	446.547	6.302	1	30		IKEFRM
C/C(=N\O[C@@H](c1ccc(COc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557870	562993464	/nfs/dbraw/zinc/99/34/64/562993464.db2.gz	QLOGQEBRCSYXFR-MJHSOURCSA-N	-1	0	432.520	5.912	1	30		IKEFRM
C/C(=N/O[C@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557912	562993468	/nfs/dbraw/zinc/99/34/68/562993468.db2.gz	USBHSZPRMPADOE-AEJDXJHNSA-N	-1	0	432.520	5.912	1	30		IKEFRM
C/C(=N\O[C@H](c1ccc(COc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557869	562993469	/nfs/dbraw/zinc/99/34/69/562993469.db2.gz	QLOGQEBRCSYXFR-QMFOPCRCSA-N	-1	0	432.520	5.912	1	30		IKEFRM
C/C(=N\O[C@@H](Cc1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557803	562993476	/nfs/dbraw/zinc/99/34/76/562993476.db2.gz	SUEULEVZLWHJSS-QICHVEDASA-N	-1	0	446.547	5.782	1	30		IKEFRM
O=C([O-])c1cc(F)cc(C(=O)/C=C/c2ccc(OCc3ccc4ccccc4n3)cc2)c1O	ZINC000013761578	563005320	/nfs/dbraw/zinc/00/53/20/563005320.db2.gz	JZFFHOCNJWSHKJ-KPKJPENVSA-N	-1	0	443.430	5.253	1	30		IKEFRM
O=C([O-])COc1cccc2c1CC[C@H](C/C=N/OC(c1ccccc1)c1ccccc1)C2	ZINC000013904289	563013842	/nfs/dbraw/zinc/01/38/42/563013842.db2.gz	KHZVLIGYCOKVNA-ZKQTYJKJSA-N	-1	0	429.516	5.437	1	30		IKEFRM
C/C(C[C@@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@H](c1ccccc1)c1ccncc1	ZINC000013904301	563013869	/nfs/dbraw/zinc/01/38/69/563013869.db2.gz	NXAGVGKQFQTDAH-GOPJUIEXSA-N	-1	0	444.531	5.222	1	30		IKEFRM
CCCCCCCCCCCCCCO[P@@](=O)([O-])O[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000014277743	563014432	/nfs/dbraw/zinc/01/44/32/563014432.db2.gz	HSNUXANXVHLGQT-HXUWFJFHSA-O	-1	0	438.566	5.371	1	30		IKEFRM
CCCCCCCCCC[C@H](C)OC([O-])=NC(=O)Oc1c(C(C)C)cccc1C(C)C	ZINC000014263384	563014453	/nfs/dbraw/zinc/01/44/53/563014453.db2.gz	KIYOCCXOZZANBO-NRFANRHFSA-N	-1	0	433.633	8.078	1	30		IKEFRM
O=C([O-])COc1cccc2c1CCC[C@H]2CCON=C(c1ccccc1)c1ccccc1	ZINC000026019474	563028647	/nfs/dbraw/zinc/02/86/47/563028647.db2.gz	JITBOGANJCPTTN-FQEVSTJZSA-N	-1	0	429.516	5.429	1	30		IKEFRM
O=C([O-])COc1cccc2c1CCC[C@@H]2CCON=C(c1ccccc1)c1ccccc1	ZINC000026019467	563028689	/nfs/dbraw/zinc/02/86/89/563028689.db2.gz	JITBOGANJCPTTN-HXUWFJFHSA-N	-1	0	429.516	5.429	1	30		IKEFRM
C/C(C[C@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@@H](c1ccccc1)c1cccnc1	ZINC000026027015	563028859	/nfs/dbraw/zinc/02/88/59/563028859.db2.gz	BEQOMUMUYUCLGG-XHXFFDMNSA-N	-1	0	444.531	5.222	1	30		IKEFRM
Cc1c2cc(Cl)ccc2sc1S(=O)(=O)N=C([S-])Nc1ccc(Cl)cc1	ZINC000026381140	563031481	/nfs/dbraw/zinc/03/14/81/563031481.db2.gz	PYSPTJKHCCVJOC-UHFFFAOYSA-N	-1	0	431.391	5.603	1	30		IKEFRM
C=C/C(C)=C1\C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)[O-]	ZINC000026402832	563031902	/nfs/dbraw/zinc/03/19/02/563031902.db2.gz	HUKHRFOKRJDBAD-FAZIYULDSA-N	-1	0	428.569	5.573	1	30		IKEFRM
C=C/C(C)=C1\C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)[O-]	ZINC000026402828	563031968	/nfs/dbraw/zinc/03/19/68/563031968.db2.gz	HUKHRFOKRJDBAD-QEKZRYRMSA-N	-1	0	428.569	5.573	1	30		IKEFRM
C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@@]1(C)CCC(=O)[O-]	ZINC000026674907	563035481	/nfs/dbraw/zinc/03/54/81/563035481.db2.gz	UQVLTKFIRTZARY-OJRKAWJFSA-N	-1	0	440.712	8.285	1	30		IKEFRM
CC(/C=C/C1=C(C)C(=O)[C@@H](C/C=C/c2ccccc2)CC1(C)C)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000026820732	563036890	/nfs/dbraw/zinc/03/68/90/563036890.db2.gz	IKKQFAFPWVMQQF-AUZTVHSPSA-N	-1	0	430.588	7.111	1	30		IKEFRM
CC(C)(Cc1ccccc1C#N)[C@@H]1OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1	ZINC000027761188	563046959	/nfs/dbraw/zinc/04/69/59/563046959.db2.gz	JGIUOLFFELZEED-OERFAEIGSA-N	-1	0	434.536	5.063	1	30		IKEFRM
O=C(Nc1nc2cc(Cl)ccc2o1)c1cc(Br)cc(Br)c1[O-]	ZINC000028248849	563052264	/nfs/dbraw/zinc/05/22/64/563052264.db2.gz	MWRRGQMWLFCRNN-UHFFFAOYSA-N	-1	0	446.482	5.348	1	30		IKEFRM
CCC[C@@]1(Cc2cccc3ccccc32)CC(=O)C(Sc2cc(C)ccc2C)=C([O-])O1	ZINC000028466867	563055371	/nfs/dbraw/zinc/05/53/71/563055371.db2.gz	ZFRCOJYVABAXIU-HHHXNRCGSA-N	-1	0	432.585	7.047	1	30		IKEFRM
Cc1ccc(C(C)(C)C)c(SC2=C([O-])O[C@](CCc3ccccc3)(C(C)C)CC2=O)c1	ZINC000028477112	563055828	/nfs/dbraw/zinc/05/58/28/563055828.db2.gz	ABXKNNGMEKVIBB-MHZLTWQESA-N	-1	0	438.633	7.129	1	30		IKEFRM
CCCO/N=C(\C)[C@H](Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-]	ZINC000028702630	563061574	/nfs/dbraw/zinc/06/15/74/563061574.db2.gz	YAWURVGPVQWWHE-XDQFAZSOSA-N	-1	0	436.508	5.275	1	30		IKEFRM
CCO[C@@H](Cc1ccc(OC/C=C(\C#Cc2ccccc2)c2ccccc2)cc1)C(=O)[O-]	ZINC000028823294	563065945	/nfs/dbraw/zinc/06/59/45/563065945.db2.gz	FTARWHJYMGYXSM-XIJDOWMKSA-N	-1	0	426.512	5.233	1	30		IKEFRM
CCOc1ccccc1-c1ccc(-c2nc3ccc(F)cc3c(NCC(=O)[O-])c2C#N)cc1	ZINC000028897320	563068827	/nfs/dbraw/zinc/06/88/27/563068827.db2.gz	BIQBTSGPKAVRDG-UHFFFAOYSA-N	-1	0	441.462	5.475	1	30		IKEFRM
O=C1c2nc(-c3ccccc3)[n-]c2C(=O)C(Sc2ccc(Br)cc2)=C1Cl	ZINC000029048492	563072917	/nfs/dbraw/zinc/07/29/17/563072917.db2.gz	WBPYCYGFLXAMFT-UHFFFAOYSA-N	-1	0	445.725	5.461	1	30		IKEFRM
Cc1cc(SC2=C([O-])O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1N	ZINC000029253278	563077373	/nfs/dbraw/zinc/07/73/73/563077373.db2.gz	ORDVXSHNZUBPPR-RUZDIDTESA-N	-1	0	441.593	5.780	1	30		IKEFRM
Cc1cc(SC2=C([O-])O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1O	ZINC000029307991	563077495	/nfs/dbraw/zinc/07/74/95/563077495.db2.gz	OHYPFBLPNVOASU-RUZDIDTESA-N	-1	0	442.577	5.904	1	30		IKEFRM
C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO	ZINC000033833657	563084895	/nfs/dbraw/zinc/08/48/95/563084895.db2.gz	GIQOHSBJFWWSAH-ZYEVQTAUSA-N	-1	0	440.580	5.404	1	30	in-vitro	IKEFRM
O=C(C=Cc1ccccc1Cc1ccc2ccccc2c1)[N-]S(=O)(=O)c1cccs1	ZINC000034047260	563085330	/nfs/dbraw/zinc/08/53/30/563085330.db2.gz	MOOPBYUCHZCDPA-BUHFOSPRSA-N	-1	0	433.554	5.851	1	30		IKEFRM
COc1cc(OC)c(-c2cc3ccccc3[nH]2)cc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000034271131	563085908	/nfs/dbraw/zinc/08/59/08/563085908.db2.gz	KKHZFGDLQNWZMS-VAWYXSNFSA-N	-1	0	427.456	5.446	1	30		IKEFRM
CCCCCCCCCCCCC[C@H](CC(=O)[O-])C(=O)N[C@H](C(=O)NC)C(C)(C)C	ZINC000034801724	563087533	/nfs/dbraw/zinc/08/75/33/563087533.db2.gz	GDWAEOPDOGIQAU-TZIWHRDSSA-N	-1	0	426.642	5.055	1	30		IKEFRM
CCCCCC/C=C/CC(=O)N[C@@H](CCC(=O)[O-])CSc1ccc2ccccc2c1	ZINC000034804763	563087875	/nfs/dbraw/zinc/08/78/75/563087875.db2.gz	PLKZQOUEMBHADV-DORXLWPQSA-N	-1	0	427.610	6.198	1	30		IKEFRM
CCCCCCCCCCCCCCCCCCOC[C@@H](CCC(=O)[O-])NC(C)=O	ZINC000036144461	563091400	/nfs/dbraw/zinc/09/14/00/563091400.db2.gz	BVBYZAMGDGQOLF-XMMPIXPASA-N	-1	0	427.670	6.634	1	30		IKEFRM
CC(C)(Cc1ccccc1C#N)[C@@H]1OC[C@@H](C/C=C\CCC(=O)[O-])[C@H](c2cccnc2)O1	ZINC000036242618	563092323	/nfs/dbraw/zinc/09/23/23/563092323.db2.gz	JGIUOLFFELZEED-KVBVECBTSA-N	-1	0	434.536	5.063	1	30		IKEFRM
CCCCCCCCCCCCCCCCCC(=O)c1c(C)c(CC(=O)[O-])n(CC)c1C	ZINC000038155583	563096815	/nfs/dbraw/zinc/09/68/15/563096815.db2.gz	RANADZCOZSISPT-UHFFFAOYSA-N	-1	0	447.704	8.196	1	30		IKEFRM
CCCCCCCCCCOc1cccc(CC(=O)c2c3ccccc3n(C)c2C(=O)[O-])c1	ZINC000038158696	563096842	/nfs/dbraw/zinc/09/68/42/563096842.db2.gz	FTQIISMAQQTIOF-UHFFFAOYSA-N	-1	0	449.591	6.821	1	30		IKEFRM
CCCCCCCCCCOc1ccc(CC(=O)c2c3ccccc3n(C)c2C(=O)[O-])cc1	ZINC000038158702	563096905	/nfs/dbraw/zinc/09/69/05/563096905.db2.gz	UDOAEWYITYDTLN-UHFFFAOYSA-N	-1	0	449.591	6.821	1	30		IKEFRM
O=C([O-])c1cccc(/C(=N/OCCc2ccc(Cl)cc2)c2cccc(C(F)(F)F)c2)c1	ZINC000040423528	563102645	/nfs/dbraw/zinc/10/26/45/563102645.db2.gz	OWTCNCDEZOIIRD-HFTWOUSFSA-N	-1	0	447.840	6.069	1	30		IKEFRM
CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CCCC)CCCC(=O)[O-]	ZINC000043175999	563119143	/nfs/dbraw/zinc/11/91/43/563119143.db2.gz	KDKNJRCROKCIMX-QFIPXVFZSA-N	-1	0	425.654	6.577	1	30		IKEFRM
CCCCCCCCCCCCCC[C@@H](COCc1ccccc1)NC(=O)CCC(=O)[O-]	ZINC000043284719	563119833	/nfs/dbraw/zinc/11/98/33/563119833.db2.gz	SUZYCFXZMWIHPI-VWLOTQADSA-N	-1	0	447.660	6.644	1	30		IKEFRM
CCCCCCC[C@H](O/N=C(\C)C(=O)[O-])c1ccc(OCc2ccc3ccccc3n2)cc1	ZINC000043422818	563120341	/nfs/dbraw/zinc/12/03/41/563120341.db2.gz	HUZBXACPNCGJKX-SUSUTEKGSA-N	-1	0	448.563	6.693	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)C[C@@H](F)[P@@](=O)([O-])O	ZINC000043481817	563120513	/nfs/dbraw/zinc/12/05/13/563120513.db2.gz	XNYDYIXHIQHKEW-MOPGFXCFSA-N	-1	0	426.506	5.235	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)C[C@@H](F)[P@@](=O)([O-])O	ZINC000043481839	563120564	/nfs/dbraw/zinc/12/05/64/563120564.db2.gz	XNYDYIXHIQHKEW-OALUTQOASA-N	-1	0	426.506	5.235	1	30		IKEFRM
CCCCCCCCCCCCCCO[C@H](CO)COc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000043552523	563120738	/nfs/dbraw/zinc/12/07/38/563120738.db2.gz	PTHGHMSPAXULKP-HSZRJFAPSA-N	-1	0	448.604	5.900	1	30		IKEFRM
CCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CCCC)CCCCC(=O)[O-]	ZINC000043569434	563120880	/nfs/dbraw/zinc/12/08/80/563120880.db2.gz	VBWKKKPXONTSHF-QFIPXVFZSA-N	-1	0	425.654	6.577	1	30		IKEFRM
CCCCCCCCCCCCCCCCNc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000043599246	563120893	/nfs/dbraw/zinc/12/08/93/563120893.db2.gz	UKBYBROJTCOKLM-UHFFFAOYSA-N	-1	0	432.649	6.784	1	30		IKEFRM
CCCCCCCCCCCc1ccc(Oc2ccc(C)cc2CC(=O)[O-])c(Cl)c1	ZINC000043598601	563120909	/nfs/dbraw/zinc/12/09/09/563120909.db2.gz	LZZHPXWPVREZRY-UHFFFAOYSA-N	-1	0	431.016	8.141	1	30		IKEFRM
CCCCCCCCCCCCCCCCNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000043598996	563120932	/nfs/dbraw/zinc/12/09/32/563120932.db2.gz	VRFLAQSQYBCWPE-QFIPXVFZSA-N	-1	0	432.649	6.783	1	30		IKEFRM
CCCCCCCCCNC(=O)N1C(=O)C(CC)(CC)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000043888502	563121419	/nfs/dbraw/zinc/12/14/19/563121419.db2.gz	PKTSQIPVSBYOCH-JOCHJYFZSA-N	-1	0	432.561	5.199	1	30		IKEFRM
CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OCC(=O)[O-]	ZINC000043938996	563121512	/nfs/dbraw/zinc/12/15/12/563121512.db2.gz	ATUIJHVFDULDBI-UHFFFAOYSA-N	-1	0	437.577	5.663	1	30		IKEFRM
CCCCCCCC[C@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)[O-]	ZINC000044359773	563121895	/nfs/dbraw/zinc/12/18/95/563121895.db2.gz	QYKUCVDFRJUBBG-SFHVURJKSA-N	-1	0	436.021	6.786	1	30		IKEFRM
CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@]2(C)[C@H](C=O)C(C(=O)[O-])=CC[C@H]21	ZINC000045285666	563128303	/nfs/dbraw/zinc/12/83/03/563128303.db2.gz	AYHRXZJQXUDDKY-FKIMKXKBSA-N	-1	0	444.612	5.425	1	30		IKEFRM
CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CCCC)COCC(=O)[O-]	ZINC000049708738	563139149	/nfs/dbraw/zinc/13/91/49/563139149.db2.gz	LTAVOKHEYIWLIX-NRFANRHFSA-N	-1	0	427.626	5.423	1	30		IKEFRM
CCCCCCCCN1C[C@@H](CCC(=O)[O-])c2c1c(NC(=O)C(C)(C)C)c(C)cc2C	ZINC000053287988	563141729	/nfs/dbraw/zinc/14/17/29/563141729.db2.gz	MTACVFYPFSKHEH-HXUWFJFHSA-N	-1	0	430.633	6.417	1	30		IKEFRM
COc1ccc(-c2ccc(NC(=O)c3ncc(C#N)[n-]3)c(C3=CCC(C)(C)CC3)c2)cn1	ZINC000053313027	563142076	/nfs/dbraw/zinc/14/20/76/563142076.db2.gz	YWBCSPXHHZSLKR-UHFFFAOYSA-N	-1	0	427.508	5.198	1	30		IKEFRM
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@H]3[C@H]2c2ccc(F)cc2)cc1Cl	ZINC000058575613	563144845	/nfs/dbraw/zinc/14/48/45/563144845.db2.gz	ABRSQONXUKMPNK-ZJSXRUAMSA-N	-1	0	445.881	5.577	1	30		IKEFRM
CCOc1cc(C2=NN(c3ccc(C#N)c(Cl)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)[O-]	ZINC000058591058	563145530	/nfs/dbraw/zinc/14/55/30/563145530.db2.gz	JGKCAKXTJGJFBV-JOCHJYFZSA-N	-1	0	437.927	5.482	1	30		IKEFRM
COc1ccc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(C(=O)[O-])cc2)cc1O	ZINC000064503713	563153817	/nfs/dbraw/zinc/15/38/17/563153817.db2.gz	CZKLZJOLYGJZCO-LPYMAVHISA-N	-1	0	438.476	5.395	1	30		IKEFRM
COc1ccc(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000064503972	563153888	/nfs/dbraw/zinc/15/38/88/563153888.db2.gz	KBSLIPFYYKMOAS-HYARGMPZSA-N	-1	0	438.932	6.204	1	30		IKEFRM
CCCO/N=C1\C[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)c2cc(Cl)c(C(C)C)c(Cl)c21	ZINC000064559098	563155921	/nfs/dbraw/zinc/15/59/21/563155921.db2.gz	NQWQGHJEDNRFBX-KKXXGYEISA-N	-1	0	440.411	6.800	1	30		IKEFRM
CO/N=C1\C[C@H]2[C@@](C)(C(=O)[O-])CCC[C@]2(C)c2cc(OCCCc3ccccc3)ccc21	ZINC000064559323	563155964	/nfs/dbraw/zinc/15/59/64/563155964.db2.gz	LBVHFYUISZOORP-CQNCLOFNSA-N	-1	0	435.564	5.601	1	30		IKEFRM
CCCCCCCCc1nc2ccc([N+](=O)[O-])cc2nc1CCCCCCCC(=O)[O-]	ZINC000066111743	563158922	/nfs/dbraw/zinc/15/89/22/563158922.db2.gz	YOYORTOKXMQFDI-UHFFFAOYSA-N	-1	0	429.561	6.409	1	30		IKEFRM
CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(C(=O)[O-])c(C#N)cc4[C@H]3CC[C@]12C)C(C)C	ZINC000066259887	563160689	/nfs/dbraw/zinc/16/06/89/563160689.db2.gz	KLHGWERKVKRNHM-XEFJNMLLSA-N	-1	0	436.596	5.374	1	30		IKEFRM
Cc1cc(/C=C/C(=O)[O-])cc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)n1	ZINC000066262706	563160916	/nfs/dbraw/zinc/16/09/16/563160916.db2.gz	CRRYKRFEVNPEDC-BJMVGYQFSA-N	-1	0	430.420	5.112	1	30		IKEFRM
Nc1cccc(C#Cc2ccc(C(=O)[O-])c(SCc3ccc(Cl)c(Cl)c3)c2)c1	ZINC000073139329	563168805	/nfs/dbraw/zinc/16/88/05/563168805.db2.gz	VOKUNEUMASWNEC-UHFFFAOYSA-N	-1	0	428.340	5.966	1	30		IKEFRM
CCCCCCCCCCCC(=O)c1c(C)c(CCC(=O)[N-]S(C)(=O)=O)n(C)c1C	ZINC000073239810	563171136	/nfs/dbraw/zinc/17/11/36/563171136.db2.gz	IAEVMTSLPSOKNP-UHFFFAOYSA-N	-1	0	440.650	5.594	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)[N-]S(=O)(=O)Oc1cccc(Cl)c1	ZINC000084687676	563175734	/nfs/dbraw/zinc/17/57/34/563175734.db2.gz	ODXOZAYLJHXEDD-UHFFFAOYSA-N	-1	0	446.053	7.401	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)s1	ZINC000084688863	563176093	/nfs/dbraw/zinc/17/60/93/563176093.db2.gz	SMPZZBONSVXGRC-UHFFFAOYSA-N	-1	0	433.573	6.711	1	30		IKEFRM
CCCCCCCCCCOc1cccc([O-])c1C(=O)/C=C/c1ccc(Cl)c(Cl)c1	ZINC000084704505	563176693	/nfs/dbraw/zinc/17/66/93/563176693.db2.gz	QZYFDXLFLSQMKN-JQIJEIRASA-N	-1	0	449.418	8.115	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)cc1	ZINC000084706291	563176906	/nfs/dbraw/zinc/17/69/06/563176906.db2.gz	ZKCIQVSIYOCDQA-UHFFFAOYSA-N	-1	0	427.544	6.649	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)[N-]S(=O)(=O)Oc1ccc(Cl)cc1	ZINC000084731180	563178634	/nfs/dbraw/zinc/17/86/34/563178634.db2.gz	YDLIMTWLJMUKRW-UHFFFAOYSA-N	-1	0	446.053	7.401	1	30		IKEFRM
CCCCCCCCNC(=O)n1c2ccc(Cl)cc2c2ccc([C@@H](C)C(=O)[O-])cc21	ZINC000095557355	563181631	/nfs/dbraw/zinc/18/16/31/563181631.db2.gz	XVQHXJRODSXPGV-MRXNPFEDSA-N	-1	0	428.960	6.554	1	30		IKEFRM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)cn2)ccc1Oc1ccccc1-c1ccccc1	ZINC000095582249	563187860	/nfs/dbraw/zinc/18/78/60/563187860.db2.gz	TWMIQDQQFBBJBN-UHFFFAOYSA-N	-1	0	445.475	5.352	1	30		IKEFRM
O=C1c2ccccc2C(=O)C([C@H](Sc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)=C1[O-]	ZINC000095593927	563190892	/nfs/dbraw/zinc/19/08/92/563190892.db2.gz	ZWROSILJQJXHDT-HSZRJFAPSA-N	-1	0	435.432	5.459	1	30		IKEFRM
Cc1ccccc1S[C@H](c1ccc([N+](=O)[O-])cc1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000095598166	563192080	/nfs/dbraw/zinc/19/20/80/563192080.db2.gz	UZWMXNMSLSHUDJ-XMMPIXPASA-N	-1	0	431.469	5.628	1	30		IKEFRM
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)[O-]	ZINC000085589928	571785597	/nfs/dbraw/zinc/78/55/97/571785597.db2.gz	VUYRTQJMRATAFS-UHFFFAOYSA-N	-1	0	439.725	8.179	1	30	endogenous,in-man	IKEFRM
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)CO[C@@H](C)C(=O)[O-]	ZINC000095618211	571797582	/nfs/dbraw/zinc/79/75/82/571797582.db2.gz	KOLAFJFESDNVMY-YMPRQMOJSA-N	-1	0	428.610	5.418	1	30	endogenous,in-man	IKEFRM
Cc1ccc(C(C)(C)C)c(SC2=C([O-])OC(c3ccccc3)(c3ccccc3)CC2=O)c1	ZINC000101291994	581092535	/nfs/dbraw/zinc/09/25/35/581092535.db2.gz	ARMHBFGWFWBOKK-UHFFFAOYSA-N	-1	0	444.596	7.045	1	30		IKEFRM
CCCCCC/C=C\C[C@H](CCCCC)CCC[C@H](CCc1ccccc1)CC(=O)[O-]	ZINC000085506053	291402060	/nfs/dbraw/zinc/40/20/60/291402060.db2.gz	DPCMRUOYQHDDMC-SYFJNCFZSA-N	-1	0	428.701	8.994	1	30	biogenic,in-vitro	IKEFRM
CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)[O-])[C@H](O)CCC1(O)CCCCC1	ZINC000085493017	291402837	/nfs/dbraw/zinc/40/28/37/291402837.db2.gz	HCZQETRXAZQIHB-RJGXRXQPSA-N	-1	0	428.654	5.586	1	30	biogenic,in-vitro	IKEFRM
CCCCCC/C=C\CCC[C@@H]1C=C[C@@H](C2(c3ccccc3)CCCC2)[C@H](CC(=O)[O-])C1	ZINC000085505951	560074616	/nfs/dbraw/zinc/07/46/16/560074616.db2.gz	LIXRZMGSQIXCSD-KHAPNDGLSA-N	-1	0	436.680	8.479	1	30	biogenic,in-vitro	IKEFRM
CCCCCC/C=C\CCC[C@@H]1C=C[C@@H](Cc2ccccc2)[C@H]([C@H](C(=O)[O-])[C@H](C)O)C1	ZINC000085505899	560074749	/nfs/dbraw/zinc/07/47/49/560074749.db2.gz	RWGNXPIESQRBIR-BTVDXJKPSA-N	-1	0	426.641	6.816	1	30	biogenic,in-vitro	IKEFRM
CC(C)c1ccccc1SC1=C([O-])O[C@@](CCCC(N)=O)(c2ccccc2)CC1=O	ZINC000005963434	562945559	/nfs/dbraw/zinc/94/55/59/562945559.db2.gz	AMZQDBGCBMILLG-XMMPIXPASA-N	-1	0	425.550	5.170	1	30		IKEFRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)o2)c(C)c1	ZINC000008680103	562961431	/nfs/dbraw/zinc/96/14/31/562961431.db2.gz	YCKKDVRWNUMVGL-UHFFFAOYSA-N	-1	0	431.513	5.924	3	30		IKEFRM
O=[N+]([O-])c1cc(C(Cc2ccccc2)=NNc2ccc(C(F)(F)F)cc2)cc(O)c1[O-]	ZINC000013472287	562987948	/nfs/dbraw/zinc/98/79/48/562987948.db2.gz	UUNOPSSIQSNGKF-ONUIUJJFSA-N	-1	0	431.370	5.084	1	30		IKEFRM
O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1cccc(F)c1	ZINC000013489807	562990017	/nfs/dbraw/zinc/99/00/17/562990017.db2.gz	JYTKBXPZIJHSAS-UHFFFAOYSA-N	-1	0	431.307	5.543	1	30		IKEFRM
C/C(=N\O[C@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCCC1)C(=O)[O-]	ZINC000013557773	562993375	/nfs/dbraw/zinc/99/33/75/562993375.db2.gz	YDJRTXWNSWVXJC-QICHVEDASA-N	-1	0	446.547	6.302	1	30		IKEFRM
O=C([O-])/C=N/O[C@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCCC1	ZINC000013557771	562993382	/nfs/dbraw/zinc/99/33/82/562993382.db2.gz	SCTIXAMIFVCHIB-XOTBCMANSA-N	-1	0	432.520	5.912	1	30		IKEFRM
C/C(=N\O[C@H](c1ccc(OCc2nc3ccccc3n2C)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557867	562993457	/nfs/dbraw/zinc/99/34/57/562993457.db2.gz	IUJPEULHUBJJEE-VNSNFZHPSA-N	-1	0	435.524	5.251	1	30		IKEFRM
Cc1cc([C@H](O/N=C/C(=O)[O-])C2CCCCC2)ccc1OCc1ccc2ccccc2n1	ZINC000013557884	562993473	/nfs/dbraw/zinc/99/34/73/562993473.db2.gz	YHFSQWGFSICIDD-MOLSVDMISA-N	-1	0	432.520	5.831	1	30		IKEFRM
O=C([O-])/C=N/O[C@H](c1ccc(OCc2ccc3cc(F)ccc3n2)cc1)C1CCCCC1	ZINC000013557807	562993474	/nfs/dbraw/zinc/99/34/74/562993474.db2.gz	HYCWMLYFOHMZCY-DKEDDZTCSA-N	-1	0	436.483	5.661	1	30		IKEFRM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2)[C@H](C#N)C(=O)[O-])cc1	ZINC000013756164	563004494	/nfs/dbraw/zinc/00/44/94/563004494.db2.gz	TURBSGRQDCXYTO-LADGPHEKSA-N	-1	0	438.531	5.015	1	30		IKEFRM
CN(C[C@@]1(c2ccccc2)CC(=O)C(SCCc2ccccc2)=C([O-])O1)c1ccccc1	ZINC000013766529	563005692	/nfs/dbraw/zinc/00/56/92/563005692.db2.gz	LUPFXUHQJYBLNE-HHHXNRCGSA-N	-1	0	445.584	5.711	1	30		IKEFRM
CC(C)(C)N=C(NC#N)Nc1cccc(C(=CCCCCCC(=O)[O-])c2cccnc2)c1	ZINC000013796634	563007417	/nfs/dbraw/zinc/00/74/17/563007417.db2.gz	DSIPHKLHGKYYCB-LPYMAVHISA-N	-1	0	433.556	5.185	1	30		IKEFRM
C/C(C[C@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@H](c1ccccc1)c1ccncc1	ZINC000013904304	563013859	/nfs/dbraw/zinc/01/38/59/563013859.db2.gz	NXAGVGKQFQTDAH-IXTUPJCFSA-N	-1	0	444.531	5.222	1	30		IKEFRM
CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(C(=O)[O-])cc2)cc1	ZINC000014141517	563014350	/nfs/dbraw/zinc/01/43/50/563014350.db2.gz	BBWMRBSEGFTSQC-UHFFFAOYSA-N	-1	0	442.552	5.931	1	30	in-vivo	IKEFRM
CCCCCCCCCCOS(=O)(=O)[N-]C(=O)Nc1c(C(C)C)cccc1C(C)C	ZINC000014261858	563014481	/nfs/dbraw/zinc/01/44/81/563014481.db2.gz	YRBVQXMIHCGKIB-UHFFFAOYSA-N	-1	0	440.650	6.457	1	30		IKEFRM
O=C([O-])CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N\OC(c3ccccc3)c3ccccc3)[C@H]2C1	ZINC000026170149	563029309	/nfs/dbraw/zinc/02/93/09/563029309.db2.gz	LYEHCNJYZOFHGX-MTTDCOSXSA-N	-1	0	433.548	5.367	1	30		IKEFRM
CC(C)c1ccccc1SC1=C([O-])O[C@@](CCc2ccccc2)(c2ccccc2)CC1=O	ZINC000027207557	563040897	/nfs/dbraw/zinc/04/08/97/563040897.db2.gz	HLRRGLREOQOOKF-MUUNZHRXSA-N	-1	0	444.596	7.147	1	30		IKEFRM
CCCC/C(C)=C\C=C(\C)C(=O)c1c([O-])cc([C@@H](C)CC/C=C/NC(=O)OC)oc1=O	ZINC000028398194	563054673	/nfs/dbraw/zinc/05/46/73/563054673.db2.gz	SPQDIDVJAZFBRL-CTKRPGCRSA-N	-1	0	431.529	5.364	1	30		IKEFRM
CCc1ccccc1SC1=C([O-])O[C@@](COc2ccccc2)(c2ccccc2)CC1=O	ZINC000028470900	563055534	/nfs/dbraw/zinc/05/55/34/563055534.db2.gz	PGRBADBRACMLMC-SANMLTNESA-N	-1	0	432.541	6.032	1	30		IKEFRM
CCc1ccccc1SC1=C([O-])O[C@](COc2ccccc2)(c2ccccc2)CC1=O	ZINC000028470904	563055574	/nfs/dbraw/zinc/05/55/74/563055574.db2.gz	PGRBADBRACMLMC-AREMUKBSSA-N	-1	0	432.541	6.032	1	30		IKEFRM
CCO/N=C(\C)[C@H](Cc1ccc(OCc2nc(-c3ccc(F)cc3)oc2C)cc1)C(=O)[O-]	ZINC000028702634	563061577	/nfs/dbraw/zinc/06/15/77/563061577.db2.gz	PDJDJLSWRMOUQW-NQLRXCNRSA-N	-1	0	440.471	5.024	1	30		IKEFRM
N#Cc1c(=O)[n-]c(-c2cc(C3CCCCC3)ccc2O)cc1-c1cc(Cl)ccc1Cl	ZINC000028821541	563065385	/nfs/dbraw/zinc/06/53/85/563065385.db2.gz	NJHITNNANZJYHI-UHFFFAOYSA-N	-1	0	439.342	6.641	1	30		IKEFRM
CC/C(=N\OCC1CCCCC1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028976899	563071501	/nfs/dbraw/zinc/07/15/01/563071501.db2.gz	ZSKOVTZOFBWLNP-PXLXIMEGSA-N	-1	0	426.888	5.313	1	30		IKEFRM
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000033414371	563084491	/nfs/dbraw/zinc/08/44/91/563084491.db2.gz	JHZCXWFOTHJWTD-QRUUQNQBSA-N	-1	0	441.439	5.227	1	30		IKEFRM
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000033414370	563084513	/nfs/dbraw/zinc/08/45/13/563084513.db2.gz	JHZCXWFOTHJWTD-NBHLSZMOSA-N	-1	0	441.439	5.227	1	30		IKEFRM
CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000034112288	563085547	/nfs/dbraw/zinc/08/55/47/563085547.db2.gz	KEDPCSVQNCYEIK-GZAOZUBMSA-N	-1	0	444.512	5.198	1	30		IKEFRM
CCCCCCCCCCOc1ccc(OCC(=O)CSCCCCC(=O)[O-])cc1	ZINC000036144239	563091295	/nfs/dbraw/zinc/09/12/95/563091295.db2.gz	SSHQPAUJUVAQEU-UHFFFAOYSA-N	-1	0	438.630	6.142	1	30		IKEFRM
CCCCCCCC[C@@H](O)c1ccc2ccc(C[C@H](O)c3cccc(C(=O)[O-])c3)nc2c1	ZINC000036189809	563091889	/nfs/dbraw/zinc/09/18/89/563091889.db2.gz	AZLNSYZMGHXYPE-FTJBHMTQSA-N	-1	0	435.564	5.993	1	30		IKEFRM
CCCCCCCC[C@H](O)c1ccc2ccc(C[C@@H](O)c3cccc(C(=O)[O-])c3)nc2c1	ZINC000036189810	563091918	/nfs/dbraw/zinc/09/19/18/563091918.db2.gz	AZLNSYZMGHXYPE-IZZNHLLZSA-N	-1	0	435.564	5.993	1	30		IKEFRM
CCCCCCCC[C@H](O)c1ccc2ccc(CSc3cccc(C(=O)[O-])c3)nc2c1	ZINC000036189782	563091930	/nfs/dbraw/zinc/09/19/30/563091930.db2.gz	DWKSWMKBKAYEEJ-VWLOTQADSA-N	-1	0	437.605	7.009	1	30		IKEFRM
CCCCCCCCc1ccc(OCC(=O)Cn2cc(C=O)c3cc(C(=O)[O-])ccc32)cc1	ZINC000036310620	563092667	/nfs/dbraw/zinc/09/26/67/563092667.db2.gz	ZWWMPCBWNHQSJR-UHFFFAOYSA-N	-1	0	449.547	5.703	1	30		IKEFRM
CCCCCCCCc1ccc(OCC(=O)COc2ccc3[nH]c(C(=O)[O-])cc3c2)cc1	ZINC000036310685	563092689	/nfs/dbraw/zinc/09/26/89/563092689.db2.gz	VBVBBPBCTMGUIO-UHFFFAOYSA-N	-1	0	437.536	5.796	1	30		IKEFRM
CCCCCCCCN1c2ccccc2O[C@@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000036757773	563095783	/nfs/dbraw/zinc/09/57/83/563095783.db2.gz	LNTYAGDQZADOFC-DEOSSOPVSA-N	-1	0	439.552	5.237	1	30		IKEFRM
CCCCCCCCCCCCn1c2ccc([N+](=O)[O-])cc2cc2c(=O)[n-]c(=O)nc1-2	ZINC000038152172	563096680	/nfs/dbraw/zinc/09/66/80/563096680.db2.gz	ILIUIGUXZUOQFE-UHFFFAOYSA-N	-1	0	426.517	5.019	1	30		IKEFRM
O=C1C(=O)C(Cc2ccc(OCCOc3ccc4c(c3)CCC4)cc2)=C([O-])c2ccccc21	ZINC000040937924	563113077	/nfs/dbraw/zinc/11/30/77/563113077.db2.gz	QLMRKIFXVNEBHQ-UHFFFAOYSA-N	-1	0	440.495	5.067	1	30		IKEFRM
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000043307406	563119907	/nfs/dbraw/zinc/11/99/07/563119907.db2.gz	LNYRYOZKJZWZCJ-UHFFFAOYSA-N	-1	0	439.662	7.133	1	30		IKEFRM
CCCCCCCCCCCCCCCCCCc1c2ccccc2n(C)c1C(=O)[O-]	ZINC000043300226	563119909	/nfs/dbraw/zinc/11/99/09/563119909.db2.gz	MOPOZPZXAHZYIL-UHFFFAOYSA-N	-1	0	427.673	8.681	1	30		IKEFRM
CCCCCCCCCCCCCC[C@H](COCc1ccccc1)NC(=O)/C=C/C(=O)[O-]	ZINC000043307878	563120074	/nfs/dbraw/zinc/12/00/74/563120074.db2.gz	GXPGFIHOYUJTOO-LOMRAVHASA-N	-1	0	445.644	6.420	1	30		IKEFRM
CCCCCCCCCCCCCC(=O)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1	ZINC000043356716	563120196	/nfs/dbraw/zinc/12/01/96/563120196.db2.gz	PQFVHSGMMNAEPV-HSZRJFAPSA-N	-1	0	431.617	5.849	1	30		IKEFRM
CCCCCCCCCCN(CCOc1ccc(CCC(=O)[O-])cc1)c1ccccn1	ZINC000043450476	563120428	/nfs/dbraw/zinc/12/04/28/563120428.db2.gz	HUZVOZLCACKRNN-UHFFFAOYSA-N	-1	0	426.601	6.125	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)OC[C@H](C[C@H](F)[P@@](=O)([O-])O)OC	ZINC000043481935	563120507	/nfs/dbraw/zinc/12/05/07/563120507.db2.gz	AXYAECHUOCJWMS-VQTJNVASSA-N	-1	0	440.533	5.889	1	30		IKEFRM
CCCCCCCCCCCC(=O)c1ccc([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000043504237	563120664	/nfs/dbraw/zinc/12/06/64/563120664.db2.gz	BOPRVLXWXIQVDQ-UHFFFAOYSA-N	-1	0	440.540	6.656	1	30		IKEFRM
CCCCCCCCCCCCCOc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1	ZINC000043705906	563121212	/nfs/dbraw/zinc/12/12/12/563121212.db2.gz	RZMYOCWBBSXLBP-UHFFFAOYSA-N	-1	0	425.613	7.687	1	30		IKEFRM
CCCCCCCCCC(=O)c1ccc([O-])c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1	ZINC000043781320	563121255	/nfs/dbraw/zinc/12/12/55/563121255.db2.gz	QBOYJNHVJAUQKN-UHFFFAOYSA-N	-1	0	432.486	7.278	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)C[P@@](=O)([O-])O)C(C)C	ZINC000044181409	563121742	/nfs/dbraw/zinc/12/17/42/563121742.db2.gz	KYBOKOBAWFVZHS-QFIPXVFZSA-N	-1	0	433.570	5.355	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)[C@H](O)C[P@@](=O)([O-])O	ZINC000044246995	563121815	/nfs/dbraw/zinc/12/18/15/563121815.db2.gz	PESBXGCWDQFQCR-FCHUYYIVSA-N	-1	0	449.613	5.537	1	30		IKEFRM
CCCCCCCCCC(=O)S[C@H](COCCC(C)(C)C)CO[P@@](=O)([O-])OC	ZINC000044265030	563121821	/nfs/dbraw/zinc/12/18/21/563121821.db2.gz	KCVLFSPACACCCL-GOSISDBHSA-N	-1	0	440.583	5.972	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)[C@H](O)C[P@@](=O)([O-])O	ZINC000044247131	563121833	/nfs/dbraw/zinc/12/18/33/563121833.db2.gz	RTUKNWBCTSYVKX-IRLDBZIGSA-N	-1	0	435.586	5.147	1	30		IKEFRM
[O-]c1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1	ZINC000045283601	563127915	/nfs/dbraw/zinc/12/79/15/563127915.db2.gz	OSULTFTYNJANJV-AERZKKPOSA-N	-1	0	433.147	6.575	1	30		IKEFRM
C/C(=N\OCCCCO/N=C(/CCC(=O)[O-])c1ccccc1)c1ccc2ccccc2c1	ZINC000045335620	563131398	/nfs/dbraw/zinc/13/13/98/563131398.db2.gz	KFCRZRAUCOEGLD-FZEFFVDLSA-N	-1	0	432.520	5.646	1	30		IKEFRM
O=C([O-])c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)SCc2ccccc2)cc1	ZINC000064503495	563153815	/nfs/dbraw/zinc/15/38/15/563153815.db2.gz	APLHMQZSNGPRLM-FYJGNVAPSA-N	-1	0	437.448	5.589	1	30		IKEFRM
CCCCCCCCCCCCc1ccc(S(=O)(=O)[N-]c2nnc(CO)s2)cc1	ZINC000066066580	563157228	/nfs/dbraw/zinc/15/72/28/563157228.db2.gz	YIICEUXQMJCYGK-UHFFFAOYSA-N	-1	0	439.647	5.295	1	30		IKEFRM
CC[C@@H](C)C[C@@H](C)/C=C(\C)C=CC=CC(=O)c1c(O)c(C23CCC(CC2)O3)cn([O-])c1=O	ZINC000066075129	563157414	/nfs/dbraw/zinc/15/74/14/563157414.db2.gz	HJCSSOXITDMEEP-ZUOACUPQSA-N	-1	0	441.568	5.273	1	30		IKEFRM
CCC/C(=N\OCc1nc(-c2ccc(C)cc2)oc1C)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000066259582	563160585	/nfs/dbraw/zinc/16/05/85/563160585.db2.gz	BCBLIOQXFWKIGS-SZXQPVLSSA-N	-1	0	436.508	5.451	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)CO[P@@H](=O)[O-]	ZINC000073316557	563172502	/nfs/dbraw/zinc/17/25/02/563172502.db2.gz	AGDJKQLNTZTJGK-HXUWFJFHSA-N	-1	0	436.526	5.341	1	30		IKEFRM
CCCCCCn1cc(COc2ccc(C(=O)/C=C/c3ccc(C(C)C)cc3)c([O-])c2)nn1	ZINC000084690085	563176312	/nfs/dbraw/zinc/17/63/12/563176312.db2.gz	UYWNFVBGQOAKTI-XNTDXEJSSA-N	-1	0	447.579	6.163	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1	ZINC000084690377	563176391	/nfs/dbraw/zinc/17/63/91/563176391.db2.gz	BLKXGNPITGNMSE-UHFFFAOYSA-N	-1	0	433.577	5.912	1	30		IKEFRM
CC(C)(Oc1ccc(CCOc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000095559560	563181998	/nfs/dbraw/zinc/18/19/98/563181998.db2.gz	DYZWQRFFNWBPHH-LICLKQGHSA-N	-1	0	430.500	5.446	1	30		IKEFRM
CC(C)=CCC[C@]1(C)C=Cc2c([O-])c(C(=O)/C=C/c3cnc4ccccc4c3)ccc2O1	ZINC000095586119	563189177	/nfs/dbraw/zinc/18/91/77/563189177.db2.gz	BQPFAINRYNSKTG-LKXQCNMVSA-N	-1	0	425.528	6.747	1	30		IKEFRM
COc1ccc(S[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000095593854	563190797	/nfs/dbraw/zinc/19/07/97/563190797.db2.gz	IUPGEEACJMDXAO-DEOSSOPVSA-N	-1	0	447.468	5.328	1	30		IKEFRM
Cc1cc(O)c(C(C)(C)C)cc1/N=C/c1cc(Br)c([O-])c(Br)c1	ZINC000095595166	563191320	/nfs/dbraw/zinc/19/13/20/563191320.db2.gz	XNIIMHCDNGBMNS-ZVBGSRNCSA-N	-1	0	441.163	5.979	1	30		IKEFRM
Cc1cc(/N=C/c2cc(Br)cc(Br)c2[O-])c(C(C)C)cc1O	ZINC000095596548	563191544	/nfs/dbraw/zinc/19/15/44/563191544.db2.gz	BJOQGYXREVESPV-DNTJNYDQSA-N	-1	0	427.136	5.805	1	30		IKEFRM
CC1(C)CC(c2ccc(NC(=O)c3ncc(C#N)[n-]3)c(C3=CCCCC3)n2)CC(C)(C)O1	ZINC000096168478	563195286	/nfs/dbraw/zinc/19/52/86/563195286.db2.gz	HHNLZUJUHWLYCI-UHFFFAOYSA-N	-1	0	433.556	5.337	1	30		IKEFRM
O=[N+]([O-])c1cc(C(F)(F)F)c(F)c([N+](=O)[O-])c1[N-]c1ncc(C(F)(F)F)cc1Cl	ZINC000098081897	563200409	/nfs/dbraw/zinc/20/04/09/563200409.db2.gz	VRHAVHAMGANCQI-UHFFFAOYSA-N	-1	0	448.638	5.472	1	30		IKEFRM
CCCCCC/C=C\C[C@H](CC)CCC[C@H](CCc1ccccc1)[C@H](C(=O)[O-])[C@H](C)O	ZINC000085505931	560074600	/nfs/dbraw/zinc/07/46/00/560074600.db2.gz	CDMQGMOFKFRADS-YFMJDXAWSA-N	-1	0	430.673	7.430	1	30	biogenic,in-vitro	IKEFRM
CCCCCC/C=C\CCCCC[C@H](CC(=O)[O-])CC1(c2ccccc2)CCCCC1	ZINC000085505992	560074601	/nfs/dbraw/zinc/07/46/01/560074601.db2.gz	VOOAELBYHVIKJK-UKDBKGKESA-N	-1	0	426.685	8.847	1	30	biogenic,in-vitro	IKEFRM
C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@H]3[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12	ZINC000003978802	560192805	/nfs/dbraw/zinc/19/28/05/560192805.db2.gz	KGUHFCVSCDQVEU-RCJXHHQASA-N	-1	0	442.684	6.699	3	30	in-vitro	IKEFRM
CC(C)c1ccccc1SC1=C([O-])O[C@](CCCC(N)=O)(c2ccccc2)CC1=O	ZINC000005963436	562945532	/nfs/dbraw/zinc/94/55/32/562945532.db2.gz	AMZQDBGCBMILLG-DEOSSOPVSA-N	-1	0	425.550	5.170	1	30		IKEFRM
O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1)c1cccc(Br)c1	ZINC000006974416	562948617	/nfs/dbraw/zinc/94/86/17/562948617.db2.gz	CHBZYYKREFSQNX-WSDLNYQXSA-N	-1	0	440.253	5.066	1	30		IKEFRM
C/C(=N\OC[C@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557801	562993370	/nfs/dbraw/zinc/99/33/70/562993370.db2.gz	BRZPHSLJDGJJTM-CSLYNHGHSA-N	-1	0	446.547	5.955	1	30		IKEFRM
C/C(=N\O[C@@H](CC1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)[O-]	ZINC000013557781	562993374	/nfs/dbraw/zinc/99/33/74/562993374.db2.gz	KEUZJHZRVMCVIT-QICHVEDASA-N	-1	0	446.547	6.302	1	30		IKEFRM
O=C([O-])/C=N/O[C@H](CC1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1	ZINC000013557780	562993385	/nfs/dbraw/zinc/99/33/85/562993385.db2.gz	HIAYIJZVBAGPMY-JOWQQVNMSA-N	-1	0	432.520	5.912	1	30		IKEFRM
C/C(=N\OC[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557802	562993410	/nfs/dbraw/zinc/99/34/10/562993410.db2.gz	BRZPHSLJDGJJTM-LBYSXPAKSA-N	-1	0	446.547	5.955	1	30		IKEFRM
O=C([O-])/C=N/OC[C@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1	ZINC000013557799	562993415	/nfs/dbraw/zinc/99/34/15/562993415.db2.gz	RVWGMIRPEXXBLC-RLWVUDJFSA-N	-1	0	432.520	5.565	1	30		IKEFRM
C/C(=N/O[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557913	562993480	/nfs/dbraw/zinc/99/34/80/562993480.db2.gz	USBHSZPRMPADOE-UEYTXEIUSA-N	-1	0	432.520	5.912	1	30		IKEFRM
N#Cc1ccc(OCc2ccsc2)cc1O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F	ZINC000013558020	562993542	/nfs/dbraw/zinc/99/35/42/562993542.db2.gz	DOBAMTNAGGMTSB-LJQANCHMSA-N	-1	0	433.407	5.422	1	30		IKEFRM
N#Cc1ccc(OCc2ccsc2)cc1O[C@@H](C(=O)[O-])c1ccccc1Br	ZINC000013558012	562993549	/nfs/dbraw/zinc/99/35/49/562993549.db2.gz	DMMQTLBLUKOVDU-LJQANCHMSA-N	-1	0	444.306	5.166	1	30		IKEFRM
[O-]c1c(Br)cc(/C=N/Oc2ccccc2C(F)(F)F)cc1Br	ZINC000013611033	562997752	/nfs/dbraw/zinc/99/77/52/562997752.db2.gz	FSZAJACMKKDWAX-IFRROFPPSA-N	-1	0	439.025	5.349	1	30		IKEFRM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)[C@@H](C#N)C(=O)[O-])cc1	ZINC000013756158	563004366	/nfs/dbraw/zinc/00/43/66/563004366.db2.gz	TURBSGRQDCXYTO-VWNXMTODSA-N	-1	0	438.531	5.015	1	30		IKEFRM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2)[C@@H](C#N)C(=O)[O-])cc1	ZINC000013756160	563004449	/nfs/dbraw/zinc/00/44/49/563004449.db2.gz	TURBSGRQDCXYTO-ISKFKSNPSA-N	-1	0	438.531	5.015	1	30		IKEFRM
O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC([O-])=C1SCCc1ccccc1	ZINC000013766500	563005682	/nfs/dbraw/zinc/00/56/82/563005682.db2.gz	XOJSRECRYUOMER-MHZLTWQESA-N	-1	0	430.569	6.207	1	30		IKEFRM
CN(C[C@]1(c2ccccc2)CC(=O)C(SCCc2ccccc2)=C([O-])O1)c1ccccc1	ZINC000013766531	563005711	/nfs/dbraw/zinc/00/57/11/563005711.db2.gz	LUPFXUHQJYBLNE-MHZLTWQESA-N	-1	0	445.584	5.711	1	30		IKEFRM
C/C(C[C@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\OC(c1ccccc1)c1ccccc1	ZINC000013904292	563013840	/nfs/dbraw/zinc/01/38/40/563013840.db2.gz	SPHSCWQRCJOWIB-ZLGPJQJGSA-N	-1	0	443.543	5.827	1	30		IKEFRM
CCCCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CC(=O)[O-])c2C	ZINC000014300124	563014525	/nfs/dbraw/zinc/01/45/25/563014525.db2.gz	QSDYPBOOABIZMP-UHFFFAOYSA-N	-1	0	444.660	6.418	1	30		IKEFRM
CCCC/C(C)=C/C=C(\C)C(=O)c1c([O-])cc([C@@H](C)CC/C=C\NC(=O)OC)oc1=O	ZINC000014611918	563014651	/nfs/dbraw/zinc/01/46/51/563014651.db2.gz	SPQDIDVJAZFBRL-NSDSGLILSA-N	-1	0	431.529	5.364	1	30		IKEFRM
CCCO/N=C(\C)[C@@H](Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-]	ZINC000016052251	563020815	/nfs/dbraw/zinc/02/08/15/563020815.db2.gz	YAWURVGPVQWWHE-UJUJBVAOSA-N	-1	0	436.508	5.275	1	30	in-vitro	IKEFRM
O=C([O-])COc1cccc2c1CCC[C@@H]2CC/C=N/OC(c1ccccc1)c1ccccc1	ZINC000026010805	563028456	/nfs/dbraw/zinc/02/84/56/563028456.db2.gz	HTVLNXCMVKGGDM-LBGKPPMZSA-N	-1	0	443.543	6.142	1	30		IKEFRM
Cc1cc(C(=O)[O-])c(O)c(C(=O)/C=C/c2cccc(/C=C/c3ccc4ccccc4n3)c2)c1	ZINC000026021740	563028693	/nfs/dbraw/zinc/02/86/93/563028693.db2.gz	VZXSJDNSOOGZCG-USTLKGCXSA-N	-1	0	435.479	6.014	1	30		IKEFRM
O=C(C=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000026024422	563028755	/nfs/dbraw/zinc/02/87/55/563028755.db2.gz	OQKPRYOPFWJKOK-MDWZMJQESA-N	-1	0	448.482	5.201	1	30		IKEFRM
CCCC/C(C)=C/C=C(\C)C(=O)c1c([O-])cc([C@H](C)CCCCNC(=O)OC)oc1=O	ZINC000028396240	563054693	/nfs/dbraw/zinc/05/46/93/563054693.db2.gz	SSRFQFZTUQNNET-UGHMEUQFSA-N	-1	0	433.545	5.241	1	30		IKEFRM
N#Cc1c(=O)[n-]c(-c2cc(C3CCCC3)ccc2O)cc1-c1cc(Cl)ccc1Cl	ZINC000028821535	563065390	/nfs/dbraw/zinc/06/53/90/563065390.db2.gz	LDKWIJMNHXVJGA-UHFFFAOYSA-N	-1	0	425.315	6.251	1	30		IKEFRM
CC/C(=N\Oc1ccc(Cl)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028977178	563071470	/nfs/dbraw/zinc/07/14/70/563071470.db2.gz	QLTBQIZHIATQDA-HYARGMPZSA-N	-1	0	441.258	5.448	1	30		IKEFRM
C=C[C@@H]1[C@@H](O)C[C@@H]2[C@@]3(C[C@]13CCC(=O)[O-])CC[C@]1(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]21C	ZINC000029327162	563077991	/nfs/dbraw/zinc/07/79/91/563077991.db2.gz	JCKMCGRZLQGGCS-IRUUMJFPSA-N	-1	0	442.684	7.010	1	30		IKEFRM
O=C(C=Cc1ccccc1Oc1ccc2ccccc2c1)[N-]S(=O)(=O)c1cccs1	ZINC000034233574	563085866	/nfs/dbraw/zinc/08/58/66/563085866.db2.gz	RGDFCFNBLXTBAF-WYMLVPIESA-N	-1	0	435.526	6.052	1	30		IKEFRM
CCCCCCCC/C=C\CCCCCCCc1cc(=O)n(-c2ccc(F)cc2F)[n-]1	ZINC000034803586	563087807	/nfs/dbraw/zinc/08/78/07/563087807.db2.gz	LCSFWRAWJBKDMQ-KTKRTIGZSA-N	-1	0	432.599	8.095	1	30		IKEFRM
CCCCCCCC[C@@H](O)c1ccc2ccc(CSc3cccc(C(=O)[O-])c3)nc2c1	ZINC000036189784	563091907	/nfs/dbraw/zinc/09/19/07/563091907.db2.gz	DWKSWMKBKAYEEJ-RUZDIDTESA-N	-1	0	437.605	7.009	1	30		IKEFRM
CC1=C(C)C(=O)C([C@H](CCCCCC(=O)[O-])c2ccc(Br)cc2)=C(C)C1=O	ZINC000038153660	563096709	/nfs/dbraw/zinc/09/67/09/563096709.db2.gz	BRIUQCFHCYSKNT-GOSISDBHSA-N	-1	0	433.342	5.373	1	30		IKEFRM
CCCCCCCCCCOc1ccccc1CC(=O)c1c2ccccc2n(C)c1C(=O)[O-]	ZINC000038158680	563096902	/nfs/dbraw/zinc/09/69/02/563096902.db2.gz	GEILCWWTMWHYHY-UHFFFAOYSA-N	-1	0	449.591	6.821	1	30		IKEFRM
C=C(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000038309475	563097330	/nfs/dbraw/zinc/09/73/30/563097330.db2.gz	CZANTYMUAZYQTH-UHFFFAOYSA-N	-1	0	432.847	5.550	1	30		IKEFRM
C=C(CSc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1	ZINC000040401175	563100791	/nfs/dbraw/zinc/10/07/91/563100791.db2.gz	AAAUCJJEASDVLN-UHFFFAOYSA-N	-1	0	428.497	5.918	1	30		IKEFRM
C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000040847322	563107593	/nfs/dbraw/zinc/10/75/93/563107593.db2.gz	SIFTVNOXGZJUMA-FTOFJUPPSA-N	-1	0	426.685	7.729	1	30		IKEFRM
C=CCO/N=C1\C[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)c2cc(Cl)c(C(C)C)c(Cl)c21	ZINC000040914158	563111200	/nfs/dbraw/zinc/11/12/00/563111200.db2.gz	ATUPJPATCLTKJA-KKXXGYEISA-N	-1	0	438.395	6.576	1	30		IKEFRM
Cc1oc(-c2ccc(C)cc2)nc1CCCCCCO/N=C(/CCC(=O)[O-])c1ccccc1	ZINC000040934174	563112368	/nfs/dbraw/zinc/11/23/68/563112368.db2.gz	HZYBYFSJVXEDOK-GNVQSUKOSA-N	-1	0	448.563	6.347	1	30		IKEFRM
O=C1C(=O)C(Cc2ccc(OCCOc3ccc(Cl)cc3)cc2)=C([O-])c2ccccc21	ZINC000040937927	563113063	/nfs/dbraw/zinc/11/30/63/563113063.db2.gz	PGALWWUIFYIVDN-UHFFFAOYSA-N	-1	0	434.875	5.232	1	30		IKEFRM
CCCCCCCCCCCCCCCCCCN(C)/N=N/c1ccc(C(=O)[O-])cc1	ZINC000042764680	563115686	/nfs/dbraw/zinc/11/56/86/563115686.db2.gz	JOMHPZFSTYTQIU-BYYHNAKLSA-N	-1	0	431.665	8.577	1	30		IKEFRM
CCCCCCCCCC[C@@H](C)CCC[C@@]1(C)C=CC(=C2C(=O)O[C@H](CC(=O)[O-])C2=O)O1	ZINC000042877717	563115821	/nfs/dbraw/zinc/11/58/21/563115821.db2.gz	GTHQWTZYJQZCCN-FWIBNMFGSA-N	-1	0	448.600	5.892	1	30		IKEFRM
C=C1[C@H]2C[C@@]3(CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@@]4(C)[C@@H]3CC2)[C@@H]1OC(=O)/C=C/c1ccccc1	ZINC000042890512	563116087	/nfs/dbraw/zinc/11/60/87/563116087.db2.gz	JYMRFFRJCMWZHS-DBEDGWBESA-N	-1	0	448.603	6.275	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)[C@@H](O)C[P@@](=O)([O-])O	ZINC000044246997	563121824	/nfs/dbraw/zinc/12/18/24/563121824.db2.gz	PESBXGCWDQFQCR-VXKWHMMOSA-N	-1	0	449.613	5.537	1	30		IKEFRM
O=c1c2ccccc2c2cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc2n1CC(F)(F)F	ZINC000043208481	563119668	/nfs/dbraw/zinc/11/96/68/563119668.db2.gz	QLZRAJAUJHVGPR-UHFFFAOYSA-N	-1	0	443.265	5.029	1	30		IKEFRM
CCCCCCCCCCCCCC[C@H](COCc1ccccc1)NC(=O)CCC(=O)[O-]	ZINC000043284722	563119820	/nfs/dbraw/zinc/11/98/20/563119820.db2.gz	SUZYCFXZMWIHPI-RUZDIDTESA-N	-1	0	447.660	6.644	1	30		IKEFRM
CCCCCCCCCCS(=O)(=O)N[C@H](CCCCCC)CO[P@@](=O)([O-])CC	ZINC000043323428	563120019	/nfs/dbraw/zinc/12/00/19/563120019.db2.gz	VDGFZFODLRHEKG-HXUWFJFHSA-N	-1	0	441.615	5.607	1	30		IKEFRM
CCCCCCCCCC(=O)S[C@H](COCc1ccccc1)CO[P@@](=O)([O-])OC	ZINC000043366331	563120212	/nfs/dbraw/zinc/12/02/12/563120212.db2.gz	HHVXJGKPISSYMC-HXUWFJFHSA-N	-1	0	446.546	5.736	1	30		IKEFRM
CCCCCCC[C@@H](O/N=C/C(=O)[O-])c1ccc(OCc2ccc3ccccc3n2)cc1	ZINC000043422810	563120326	/nfs/dbraw/zinc/12/03/26/563120326.db2.gz	NBODBIYJTMMJOG-RPUKTSEFSA-N	-1	0	434.536	6.302	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)O[C@H](COC)C[C@@H](F)[P@@](=O)([O-])O	ZINC000043481881	563120576	/nfs/dbraw/zinc/12/05/76/563120576.db2.gz	LKADQADNCLDKMS-PMACEKPBSA-N	-1	0	440.533	5.889	1	30		IKEFRM
CCCCCCCCCC(=O)c1ccc([O-])c(C(=O)Nc2ccc(Br)cc2)c1	ZINC000043504208	563120615	/nfs/dbraw/zinc/12/06/15/563120615.db2.gz	SRORCUUEKQVCPW-UHFFFAOYSA-N	-1	0	446.385	6.730	1	30		IKEFRM
CCCCCCCCCCCCCCCCNc1ccc(C([O-])=CS(C)(=O)=O)cc1	ZINC000043676479	563121129	/nfs/dbraw/zinc/12/11/29/563121129.db2.gz	HHUIKUMVRXDQPB-UHFFFAOYSA-N	-1	0	437.690	6.807	1	30		IKEFRM
CCCCCCCCCCCCCCCCCC(=O)c1c2ccccc2[nH]c1C(=O)[O-]	ZINC000043815399	563121341	/nfs/dbraw/zinc/12/13/41/563121341.db2.gz	ZJZXGFQZSKFANX-UHFFFAOYSA-N	-1	0	427.629	8.310	1	30		IKEFRM
CCCCCCCCCCCCCCCCCCOc1ccc(/C=C(\C)C(=O)[O-])cc1	ZINC000043920317	563121465	/nfs/dbraw/zinc/12/14/65/563121465.db2.gz	RJDNQZCLSIZBAD-OCOZRVBESA-N	-1	0	430.673	8.815	1	30		IKEFRM
CCCCCCCOC[C@@H](COc1ccc(-c2nc(=O)o[n-]2)cc1)OCCCCCCC	ZINC000044018355	563121494	/nfs/dbraw/zinc/12/14/94/563121494.db2.gz	MRTOWNVJPRJMBR-QHCPKHFHSA-N	-1	0	448.604	6.164	1	30		IKEFRM
CCCCCCCCCCc1c(C)n(C(=O)c2ccco2)c2ccc(S(=O)(=O)[O-])cc12	ZINC000043989777	563121518	/nfs/dbraw/zinc/12/15/18/563121518.db2.gz	HZAJJAWJWMIKMN-UHFFFAOYSA-N	-1	0	445.581	6.161	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)C[P@@](=O)([O-])O	ZINC000044138372	563121687	/nfs/dbraw/zinc/12/16/87/563121687.db2.gz	GLDHKEHBBUZQNU-NRFANRHFSA-N	-1	0	447.597	5.745	1	30		IKEFRM
CCCCCCCCN(C)S(=O)(=O)[N-]C(=O)Oc1c(C(C)C)cccc1C(C)C	ZINC000044182083	563121729	/nfs/dbraw/zinc/12/17/29/563121729.db2.gz	HZRPKRWIUAOPAK-UHFFFAOYSA-N	-1	0	426.623	5.763	1	30		IKEFRM
N#Cc1c(=O)[nH]c(-c2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)cc1-c1ccccc1O	ZINC000045286108	563128304	/nfs/dbraw/zinc/12/83/04/563128304.db2.gz	ZXSMXWDUOIFPMR-UHFFFAOYSA-N	-1	0	448.434	5.177	1	30		IKEFRM
Cc1[n-]n(C(=O)c2sc3ccccc3c2Cl)c(=O)c1N=Nc1ccc(Cl)cc1C	ZINC000049068112	563137430	/nfs/dbraw/zinc/13/74/30/563137430.db2.gz	SANGBFJIAONRRK-JJIBRWJFSA-N	-1	0	445.331	5.343	1	30		IKEFRM
CCCCCCCCCCCCc1ccc(Oc2ccc(C)cc2CC(=O)[O-])c(Cl)c1	ZINC000049589344	563138967	/nfs/dbraw/zinc/13/89/67/563138967.db2.gz	RVWKGKREJWFMLI-UHFFFAOYSA-N	-1	0	445.043	8.531	1	30		IKEFRM
CCCCCCCC(=O)OCC1(CC2=C([O-])c3ccccc3C(=O)C2=O)CCCCC1	ZINC000049680033	563139056	/nfs/dbraw/zinc/13/90/56/563139056.db2.gz	XNFRMLAJOMMETP-UHFFFAOYSA-N	-1	0	426.553	6.122	1	30		IKEFRM
CCCCCCCCCCCC(=O)OCC(C)(C)CC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000049695421	563139136	/nfs/dbraw/zinc/13/91/36/563139136.db2.gz	LMXNVXCDRUCSAD-UHFFFAOYSA-N	-1	0	442.596	6.758	1	30		IKEFRM
N#Cc1ccc(N2N=C(c3ccc(C(=O)[O-])c(Cl)c3)C[C@@H]2C2CCCC2)cc1Cl	ZINC000058583488	563145235	/nfs/dbraw/zinc/14/52/35/563145235.db2.gz	XVLOITGFQRFPGI-OAQYLSRUSA-N	-1	0	428.319	5.736	1	30		IKEFRM
CCCCCCCCCCCCC[C@@H](Oc1cccc(OCc2ccccc2)c1)C(=O)[O-]	ZINC000059675343	563146620	/nfs/dbraw/zinc/14/66/20/563146620.db2.gz	BSMRSUQAOOJWTK-HHHXNRCGSA-N	-1	0	440.624	7.799	1	30		IKEFRM
CCCCCCCCCCCCC[C@H](Oc1cccc(OCc2ccccc2)c1)C(=O)[O-]	ZINC000059675339	563146632	/nfs/dbraw/zinc/14/66/32/563146632.db2.gz	BSMRSUQAOOJWTK-MHZLTWQESA-N	-1	0	440.624	7.799	1	30		IKEFRM
CO/N=C1\C[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)c2c(Cl)c(Cl)c(C(C)C)c(Cl)c21	ZINC000064549827	563155739	/nfs/dbraw/zinc/15/57/39/563155739.db2.gz	FNEPSXSQXYOYSO-ZYGCRCMOSA-N	-1	0	446.802	6.673	1	30		IKEFRM
CC(C)O/N=C1\C[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)c2cc(Cl)c(C(C)C)c(Cl)c21	ZINC000064559099	563155878	/nfs/dbraw/zinc/15/58/78/563155878.db2.gz	CFQPDLQUSMBJMR-KKXXGYEISA-N	-1	0	440.411	6.798	1	30		IKEFRM
CC(C)c1ccc2c(c1)/C(=N/OCCCc1ccccc1)C[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C	ZINC000064559354	563155982	/nfs/dbraw/zinc/15/59/82/563155982.db2.gz	QFODQIQYFHUBMX-KCSBEDLWSA-N	-1	0	447.619	6.716	1	30		IKEFRM
CCCCCCCCc1ccc(OCC(=O)Cn2cc(CC)c3cc(C(=O)[O-])ccc32)cc1	ZINC000072109267	563163224	/nfs/dbraw/zinc/16/32/24/563163224.db2.gz	KZYZWEVMWURDFR-UHFFFAOYSA-N	-1	0	449.591	6.453	1	30		IKEFRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(Oc3ccccc3)cc2)S/C1=N\c1ccccc1	ZINC000072174872	563165283	/nfs/dbraw/zinc/16/52/83/563165283.db2.gz	BSNAWUZTBSPMBH-LPCFMYKTSA-N	-1	0	430.485	5.168	1	30		IKEFRM
CC[C@H](C)C(=O)C1=C([O-])C(C)=C2O[C@@H](C(C)(C)O)C[C@@]2(C/C=C(\C)CCC=C(C)C)C1=O	ZINC000072180474	563166945	/nfs/dbraw/zinc/16/69/45/563166945.db2.gz	PYZGOGXMYGHHEK-MQQRHIPASA-N	-1	0	444.612	5.899	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)nc1	ZINC000072317006	563168446	/nfs/dbraw/zinc/16/84/46/563168446.db2.gz	KGURPWIBPCCLDK-UHFFFAOYSA-N	-1	0	429.520	5.439	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)nc1	ZINC000084690146	563176294	/nfs/dbraw/zinc/17/62/94/563176294.db2.gz	HXNNPYAGWJIBNA-UHFFFAOYSA-N	-1	0	428.532	6.044	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1nsc(-c2ccc(OC(C)C)c(C#N)c2)n1	ZINC000084705177	563176717	/nfs/dbraw/zinc/17/67/17/563176717.db2.gz	BEOMIFGRWSYREU-UHFFFAOYSA-N	-1	0	435.549	5.501	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)cn1	ZINC000084706418	563176914	/nfs/dbraw/zinc/17/69/14/563176914.db2.gz	GQHRNSYYZPNZMA-UHFFFAOYSA-N	-1	0	428.532	6.044	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)nn1	ZINC000084706421	563176924	/nfs/dbraw/zinc/17/69/24/563176924.db2.gz	HDUQQGKQYYEHMP-UHFFFAOYSA-N	-1	0	429.520	5.439	1	30		IKEFRM
CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]c5c(c4c3)CC[C@@H]5CC(=O)[O-])no2)cc1C#N	ZINC000084740227	563179027	/nfs/dbraw/zinc/17/90/27/563179027.db2.gz	KWTLLGKUNNSDNF-CQSZACIVSA-N	-1	0	442.475	5.048	1	30		IKEFRM
CC(C)C[C@@H](C(=O)[O-])c1cc(C#N)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1	ZINC000095572550	563184831	/nfs/dbraw/zinc/18/48/31/563184831.db2.gz	RQXFZUNJOJYKOH-OAQYLSRUSA-N	-1	0	431.454	6.247	1	30		IKEFRM
N#Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1Oc1ccc(-c2ccccc2)cc1	ZINC000095582507	563187978	/nfs/dbraw/zinc/18/79/78/563187978.db2.gz	CSQOKQWYFROFEC-UHFFFAOYSA-N	-1	0	433.514	5.275	1	30		IKEFRM
COc1ccc(/C=C/C(=O)c2ccc3c(c2[O-])C=C[C@@](C)(CCC=C(C)C)O3)cc1OC	ZINC000095589496	563189713	/nfs/dbraw/zinc/18/97/13/563189713.db2.gz	LCZGFRSDMXLRMU-HWOQGQEBSA-N	-1	0	434.532	6.216	1	30		IKEFRM
CCCCCCCCCCC(=O)NCC(C)(C)CC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000095595576	563191400	/nfs/dbraw/zinc/19/14/00/563191400.db2.gz	HWSSRWPERXWLPC-UHFFFAOYSA-N	-1	0	427.585	5.941	1	30		IKEFRM
O=C1c2ccccc2C(=O)C([C@H](Sc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)=C1[O-]	ZINC000095597040	563191667	/nfs/dbraw/zinc/19/16/67/563191667.db2.gz	OZOAIPDUPMSRFY-HSZRJFAPSA-N	-1	0	433.441	5.025	1	30		IKEFRM
O=C1c2ccccc2C(=O)C([C@@H](Sc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)=C1[O-]	ZINC000095597041	563191716	/nfs/dbraw/zinc/19/17/16/563191716.db2.gz	OZOAIPDUPMSRFY-QHCPKHFHSA-N	-1	0	433.441	5.025	1	30		IKEFRM
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)CO[C@H](C)C(=O)[O-]	ZINC000095618212	571797509	/nfs/dbraw/zinc/79/75/09/571797509.db2.gz	KOLAFJFESDNVMY-WTKPUWKFSA-N	-1	0	428.610	5.418	1	30	endogenous,in-man	IKEFRM
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1C[C@@H](F)[P@@](=O)([O-])O1	ZINC000038147698	541108307	/nfs/dbraw/zinc/10/83/07/541108307.db2.gz	UGBUOUYFLYVPPG-SFTDATJTSA-N	-1	0	436.545	7.061	1	30		IKEFRM
C=C1[C@H]2C[C@@]3(CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@@]4(C)[C@@H]3CC2)[C@H]1OC(=O)CC(C)(C)OC	ZINC000523042453	291386981	/nfs/dbraw/zinc/38/69/81/291386981.db2.gz	WUOLYAYTKFQILQ-KHCYWNPZSA-N	-1	0	432.601	5.377	1	30	biogenic	IKEFRM
Cc1ccc(/C(CSc2nccn2-c2ncc(C(F)(F)F)cc2Cl)=N/[O-])cc1	ZINC000013395288	525942122	/nfs/dbraw/zinc/94/21/22/525942122.db2.gz	WYIJLEQFAWCCIN-MFKUBSTISA-N	-1	0	426.851	5.219	1	30		IKEFRM
C/C(C[C@@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\OC(c1ccccc1)c1ccccc1	ZINC000003943703	562939672	/nfs/dbraw/zinc/93/96/72/562939672.db2.gz	SPHSCWQRCJOWIB-ZOPZMGNLSA-N	-1	0	443.543	5.827	1	30		IKEFRM
C/C(C[C@@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@@H](c1ccccc1)c1ccncc1	ZINC000003943705	562939694	/nfs/dbraw/zinc/93/96/94/562939694.db2.gz	NXAGVGKQFQTDAH-RXCHICBSSA-N	-1	0	444.531	5.222	1	30		IKEFRM
COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000003991139	562940513	/nfs/dbraw/zinc/94/05/13/562940513.db2.gz	QJONMKPOLPZFPY-VAWYXSNFSA-N	-1	0	444.508	6.180	1	30		IKEFRM
O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1	ZINC000013489814	562990126	/nfs/dbraw/zinc/99/01/26/562990126.db2.gz	SORBRPHLFXAGON-UHFFFAOYSA-N	-1	0	431.307	5.543	1	30		IKEFRM
O=C(C=Cc1ccccc1-c1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)c1cccs1	ZINC000013554021	562993047	/nfs/dbraw/zinc/99/30/47/562993047.db2.gz	RODREHKJZDRDIM-CSKARUKUSA-N	-1	0	438.357	6.081	1	30		IKEFRM
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000013555546	562993123	/nfs/dbraw/zinc/99/31/23/562993123.db2.gz	RPTKRVXJNWPJLU-SFHVURJKSA-N	-1	0	445.733	6.569	1	30		IKEFRM
O=C([O-])/C=N/O[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCCC1	ZINC000013557772	562993371	/nfs/dbraw/zinc/99/33/71/562993371.db2.gz	SCTIXAMIFVCHIB-RBABYGSYSA-N	-1	0	432.520	5.912	1	30		IKEFRM
CC/C(=N\O[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557720	562993392	/nfs/dbraw/zinc/99/33/92/562993392.db2.gz	HMFDOECOZXPNOK-AHCSBEPMSA-N	-1	0	446.547	6.302	1	30		IKEFRM
Cc1cc([C@@H](O/N=C/C(=O)[O-])C2CCCCC2)ccc1OCc1ccc2ccccc2n1	ZINC000013557883	562993461	/nfs/dbraw/zinc/99/34/61/562993461.db2.gz	YHFSQWGFSICIDD-FXXTWSIJSA-N	-1	0	432.520	5.831	1	30		IKEFRM
O=C([O-])/C=N/O[C@H](c1ccc(OCc2ccc3ccccc3n2)c(F)c1)C1CCCCC1	ZINC000013557887	562993475	/nfs/dbraw/zinc/99/34/75/562993475.db2.gz	XYCLZXJBXSHKAP-DKEDDZTCSA-N	-1	0	436.483	5.661	1	30		IKEFRM
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(=O)[O-])[C@@H]([C@@]3(C)CC[C@@H](CC#N)O3)CC[C@]12C	ZINC000013862225	563012889	/nfs/dbraw/zinc/01/28/89/563012889.db2.gz	XOFGVIPVOIPDNS-MCFZVKJISA-N	-1	0	431.661	6.834	1	30		IKEFRM
CCCCCCCCCCCCCCS(=O)(=O)[N-]C(=O)Nc1ccc(F)cc1F	ZINC000014263832	563014428	/nfs/dbraw/zinc/01/44/28/563014428.db2.gz	XSQYACHSMLCRRI-UHFFFAOYSA-N	-1	0	432.577	6.117	1	30		IKEFRM
CCCCCCCCCCCCSC([O-])=NC(=O)Oc1c(C(C)C)cccc1C(C)C	ZINC000014263386	563014446	/nfs/dbraw/zinc/01/44/46/563014446.db2.gz	WXCBAPMMULZQFH-UHFFFAOYSA-N	-1	0	449.701	8.796	1	30		IKEFRM
CCCCCCCCCCCCOC([O-])=NC(=O)Oc1c(C(C)C)cccc1C(C)C	ZINC000014263363	563014469	/nfs/dbraw/zinc/01/44/69/563014469.db2.gz	PONNYEPRRSEVFE-UHFFFAOYSA-N	-1	0	433.633	8.079	1	30		IKEFRM
CCCCCCCC[C@H](O)c1ccc2ccc(CSc3cccc(C(=O)[O-])c3)cc2c1	ZINC000014262639	563014480	/nfs/dbraw/zinc/01/44/80/563014480.db2.gz	KERCUIJEEPSYHK-SANMLTNESA-N	-1	0	436.617	7.614	1	30		IKEFRM
C/C(C[C@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@H](c1ccccc1)c1cccnc1	ZINC000026027033	563028800	/nfs/dbraw/zinc/02/88/00/563028800.db2.gz	BEQOMUMUYUCLGG-IXTUPJCFSA-N	-1	0	444.531	5.222	1	30		IKEFRM
C/C(C[C@@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@H](c1ccccc1)c1cccnc1	ZINC000026027023	563028803	/nfs/dbraw/zinc/02/88/03/563028803.db2.gz	BEQOMUMUYUCLGG-GOPJUIEXSA-N	-1	0	444.531	5.222	1	30		IKEFRM
O=C(C=Cc1cccc(C=Cc2ccc3ccccc3n2)c1)c1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000026028030	563028816	/nfs/dbraw/zinc/02/88/16/563028816.db2.gz	SILSWXVHSFRLCM-MXOVAJDFSA-N	-1	0	445.482	5.187	1	30		IKEFRM
N#Cc1ccc(/C=C/S(=O)(=O)[N-]c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1	ZINC000026851848	563037836	/nfs/dbraw/zinc/03/78/36/563037836.db2.gz	ZWHYSDIHLNCMHG-FOCLMDBBSA-N	-1	0	443.553	5.761	1	30		IKEFRM
CC(C)c1ccccc1SC1=C([O-])O[C@](CCc2ccccc2)(c2ccccc2)CC1=O	ZINC000027207561	563040916	/nfs/dbraw/zinc/04/09/16/563040916.db2.gz	HLRRGLREOQOOKF-NDEPHWFRSA-N	-1	0	444.596	7.147	1	30		IKEFRM
CC(C)(Cc1ccccc1C#N)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1	ZINC000027761196	563046903	/nfs/dbraw/zinc/04/69/03/563046903.db2.gz	JGIUOLFFELZEED-HLPPDZEASA-N	-1	0	434.536	5.063	1	30		IKEFRM
CC(C)c1ccccc1SC1=C([O-])O[C@](CCCCC(N)=O)(c2ccccc2)CC1=O	ZINC000027845770	563047295	/nfs/dbraw/zinc/04/72/95/563047295.db2.gz	FLWNJUFVMJEULB-VWLOTQADSA-N	-1	0	439.577	5.560	1	30		IKEFRM
C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@@H](C)C(=C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)[O-]	ZINC000028638108	563059948	/nfs/dbraw/zinc/05/99/48/563059948.db2.gz	KAKDSTYYULDNHW-MHISZOMXSA-N	-1	0	440.712	8.285	1	30		IKEFRM
N#Cc1ccc(OCc2ccc(Cl)cc2)c(C2=C(c3cccc(C(=O)[O-])c3)CCC2)c1	ZINC000028819276	563065159	/nfs/dbraw/zinc/06/51/59/563065159.db2.gz	QCSNPWIZBFRONA-UHFFFAOYSA-N	-1	0	429.903	6.584	1	30		IKEFRM
N#Cc1c(=O)[n-]c(-c2cc(Br)ccc2O)cc1-c1cc(Cl)ccc1Cl	ZINC000028821559	563065286	/nfs/dbraw/zinc/06/52/86/563065286.db2.gz	OZBHFRZALVOEJM-UHFFFAOYSA-N	-1	0	436.092	5.355	1	30		IKEFRM
CCC/C(=N\Oc1ccc(F)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028977251	563071479	/nfs/dbraw/zinc/07/14/79/563071479.db2.gz	VPGSIOPWNPVBCB-HZHRSRAPSA-N	-1	0	438.830	5.324	1	30		IKEFRM
CCC/C(=N\OC1CCCCC1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028976959	563071489	/nfs/dbraw/zinc/07/14/89/563071489.db2.gz	UDWCLQJGFYPKID-PXLXIMEGSA-N	-1	0	426.888	5.455	1	30		IKEFRM
C/C(=N\OCc1ccc(Cl)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028977134	563071493	/nfs/dbraw/zinc/07/14/93/563071493.db2.gz	NITWNZNBQACOFD-LSHDLFTRSA-N	-1	0	441.258	5.196	1	30		IKEFRM
C/C(=N\OC1CCCCC1)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028976971	563071504	/nfs/dbraw/zinc/07/15/04/563071504.db2.gz	UPDFRTIFNQNAFU-AUEPDCJTSA-N	-1	0	432.386	5.040	1	30		IKEFRM
Cc1cc(SC2=C([O-])O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1O	ZINC000029307987	563077439	/nfs/dbraw/zinc/07/74/39/563077439.db2.gz	OHYPFBLPNVOASU-VWLOTQADSA-N	-1	0	442.577	5.904	1	30		IKEFRM
CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000035656928	563089926	/nfs/dbraw/zinc/08/99/26/563089926.db2.gz	SGAPMZGCDITLEU-WBYAUDGUSA-N	-1	0	444.512	5.198	1	30		IKEFRM
CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(C(=O)[O-])c2)cc1	ZINC000036144245	563091311	/nfs/dbraw/zinc/09/13/11/563091311.db2.gz	SCTAYHGJSJMULN-UHFFFAOYSA-N	-1	0	442.552	5.931	1	30		IKEFRM
CCCCCCCC[C@@H](O)c1ccc2ccc(C[C@@H](O)c3cccc(C(=O)[O-])c3)nc2c1	ZINC000036189812	563091946	/nfs/dbraw/zinc/09/19/46/563091946.db2.gz	AZLNSYZMGHXYPE-CLJLJLNGSA-N	-1	0	435.564	5.993	1	30		IKEFRM
CCCCCCCCCc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[n-]2)CO3)cc1	ZINC000038142610	563096046	/nfs/dbraw/zinc/09/60/46/563096046.db2.gz	WLYVFAOLHPVBSD-JOCHJYFZSA-N	-1	0	449.555	5.258	1	30		IKEFRM
CCCCCCCCCCCCn1c2cccc([N+](=O)[O-])c2cc2c(=O)[n-]c(=O)nc1-2	ZINC000038152098	563096718	/nfs/dbraw/zinc/09/67/18/563096718.db2.gz	PJHYVTSLOVQXAH-UHFFFAOYSA-N	-1	0	426.517	5.019	1	30		IKEFRM
C=C(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])cc1Cl	ZINC000040392914	563100047	/nfs/dbraw/zinc/10/00/47/563100047.db2.gz	SVTGXVHZXRFWIG-UHFFFAOYSA-N	-1	0	432.847	5.550	1	30		IKEFRM
CC(C)=CCC1=C2O[C@H](C(C)(C)O)C[C@]2(CC=C(C)C)C([O-])=C(C(=O)CC(C)C)C1=O	ZINC000040414081	563102077	/nfs/dbraw/zinc/10/20/77/563102077.db2.gz	UFNSPVPZCKZBHN-RXFWQSSRSA-N	-1	0	430.585	5.509	1	30		IKEFRM
COc1ccc(/C=C/C(=O)c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000040916729	563111411	/nfs/dbraw/zinc/11/14/11/563111411.db2.gz	LMPNDPJRZRUYDO-NTUHNPAUSA-N	-1	0	427.909	5.046	1	30		IKEFRM
O=C(/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1[O-]	ZINC000040950230	563113803	/nfs/dbraw/zinc/11/38/03/563113803.db2.gz	LHMDXKJKKAITQJ-BMRADRMJSA-N	-1	0	436.507	6.446	1	30	in-vivo	IKEFRM
CCCCCCCCCCCCCCCCCC(=O)c1c(C)c(CCC(=O)[O-])n(C)c1C	ZINC000043352683	563120114	/nfs/dbraw/zinc/12/01/14/563120114.db2.gz	NXOBDTXYTSJGLU-UHFFFAOYSA-N	-1	0	447.704	8.103	1	30		IKEFRM
CC/C=C\CCOC[C@H](CO[P@@](=O)([O-])OC)SC(=O)CCCCCCCCC	ZINC000043379858	563120183	/nfs/dbraw/zinc/12/01/83/563120183.db2.gz	DWBHSHVNDXOROO-GXVATQTDSA-N	-1	0	438.567	5.892	1	30		IKEFRM
CCCCCCCCC(=O)SC[C@H](CO[P@@](=O)([O-])OC)SC(=O)CCC	ZINC000043379957	563120217	/nfs/dbraw/zinc/12/02/17/563120217.db2.gz	ANENYGDVCBUXGA-HNNXBMFYSA-N	-1	0	428.553	5.189	1	30		IKEFRM
CCCCCCC[C@H](O/N=C/C(=O)[O-])c1ccc(OCc2ccc3ccccc3n2)cc1	ZINC000043422809	563120332	/nfs/dbraw/zinc/12/03/32/563120332.db2.gz	NBODBIYJTMMJOG-QTPRHWQCSA-N	-1	0	434.536	6.302	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)O[C@H](COC)C[C@H](F)[P@@](=O)([O-])O	ZINC000043481884	563120528	/nfs/dbraw/zinc/12/05/28/563120528.db2.gz	LKADQADNCLDKMS-VQTJNVASSA-N	-1	0	440.533	5.889	1	30		IKEFRM
CCCCCCCCCCCCCCCCNc1ccc(C([O-])=C(C)C(=O)OCC)cc1	ZINC000043599255	563120911	/nfs/dbraw/zinc/12/09/11/563120911.db2.gz	DBTSBLBWLGPEGE-DEOSSOPVSA-N	-1	0	445.688	7.962	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)C[P@@](=O)([O-])O	ZINC000043628237	563120986	/nfs/dbraw/zinc/12/09/86/563120986.db2.gz	UFWSTQGQRXNMAD-FQEVSTJZSA-N	-1	0	431.554	5.206	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)C[P@@](=O)([O-])O	ZINC000043628233	563121010	/nfs/dbraw/zinc/12/10/10/563121010.db2.gz	UFWSTQGQRXNMAD-HXUWFJFHSA-N	-1	0	431.554	5.206	1	30		IKEFRM
CCCCCCCCCCCC(=O)N[C@H](CCCCCC)CO[P@@](=O)([O-])CCCC	ZINC000043641045	563121116	/nfs/dbraw/zinc/12/11/16/563121116.db2.gz	KNPJUPLDEDWMOZ-HSZRJFAPSA-N	-1	0	447.641	7.365	1	30		IKEFRM
CCCCCCCCCCCCOC([O-])=NC(=O)Sc1c(C(C)C)cccc1C(C)C	ZINC000043815270	563121332	/nfs/dbraw/zinc/12/13/32/563121332.db2.gz	PMAAGQWKTHBQBV-UHFFFAOYSA-N	-1	0	449.701	8.793	1	30		IKEFRM
N#Cc1ccc(-c2ccccc2Cc2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)cc1	ZINC000045337775	563131673	/nfs/dbraw/zinc/13/16/73/563131673.db2.gz	WCTIFYXNSJWYEP-UHFFFAOYSA-N	-1	0	428.488	5.706	1	30		IKEFRM
N#Cc1cccc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)[O-])c1	ZINC000045358235	563132800	/nfs/dbraw/zinc/13/28/00/563132800.db2.gz	KVCRJXXYQIMWOL-UHFFFAOYSA-N	-1	0	446.478	5.767	1	30		IKEFRM
CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	ZINC000049045722	563136606	/nfs/dbraw/zinc/13/66/06/563136606.db2.gz	BPISXFKZPYJNFI-TYILLQQXSA-N	-1	0	437.348	5.084	1	30		IKEFRM
CCOC(=O)C(C#N)=N[N-]c1n[nH]c(N)c1N=Nc1ccc(N=Nc2ccccc2)cc1	ZINC000049677902	563139025	/nfs/dbraw/zinc/13/90/25/563139025.db2.gz	YKVSCZBZUKUTGG-FHJTVCTRSA-N	-1	0	430.432	5.362	1	30		IKEFRM
Cc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1	ZINC000053226756	563141220	/nfs/dbraw/zinc/14/12/20/563141220.db2.gz	UFDDUNIMRSLMMK-XPWSMXQVSA-N	-1	0	444.530	7.160	1	30		IKEFRM
CCCCCCCCN1C[C@H](CCC(=O)[O-])c2c1c(NC(=O)C(C)(C)C)c(C)cc2C	ZINC000053287985	563141731	/nfs/dbraw/zinc/14/17/31/563141731.db2.gz	MTACVFYPFSKHEH-FQEVSTJZSA-N	-1	0	430.633	6.417	1	30		IKEFRM
COc1cc(C2=NN(c3ccc(C#N)c(Cl)c3)[C@@H](C3CCCC3)[C@H]2C)ccc1C(=O)[O-]	ZINC000058568975	563144687	/nfs/dbraw/zinc/14/46/87/563144687.db2.gz	XESZSROXZVELDI-LFVRLGFBSA-N	-1	0	437.927	5.338	1	30		IKEFRM
CC(C)c1c(Cl)c(Cl)c2c(c1Cl)/C(=N/O)C[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C	ZINC000064559723	563156131	/nfs/dbraw/zinc/15/61/31/563156131.db2.gz	OZFDBYBWJKWILJ-RPIYYYEWSA-N	-1	0	432.775	6.501	1	30		IKEFRM
CCOc1ccc2ccccc2c1/C=C/C(=O)c1cc(Br)cc(C(=O)[O-])c1O	ZINC000066078045	563157747	/nfs/dbraw/zinc/15/77/47/563157747.db2.gz	QYKKJYQNERZCNG-CMDGGOBGSA-N	-1	0	441.277	5.301	1	30		IKEFRM
N#Cc1cc(Br)cc(C(=O)/C=C/c2c(Cl)ccc(Cl)c2Cl)c1[O-]	ZINC000066101451	563158351	/nfs/dbraw/zinc/15/83/51/563158351.db2.gz	PJRMHWGLCKKWNS-DAFODLJHSA-N	-1	0	431.500	5.883	1	30		IKEFRM
Cc1c[nH]c2c1cccc2-c1c(F)cc2c(c1F)/C(=N/OC(C)(C)C(=O)[O-])CC(C)(C)N2	ZINC000071319315	563162227	/nfs/dbraw/zinc/16/22/27/563162227.db2.gz	OQQZSNNSAXZWOI-STBIYBPSSA-N	-1	0	441.478	5.600	1	30		IKEFRM
CC#C[C@H](CC(=O)[O-])c1ccc(O[C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)cc1	ZINC000071334578	563162583	/nfs/dbraw/zinc/16/25/83/563162583.db2.gz	RDGSLINMZIQBIF-OFNKIYASSA-N	-1	0	431.557	6.157	1	30		IKEFRM
CCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000072175053	563165336	/nfs/dbraw/zinc/16/53/36/563165336.db2.gz	YCXCACWPVAVBCB-INIZCTEOSA-N	-1	0	440.999	5.556	1	30		IKEFRM
CC[C@@H](C)C(=O)C1=C([O-])C(C)=C2O[C@@H](C(C)(C)O)C[C@@]2(C/C=C(\C)CCC=C(C)C)C1=O	ZINC000072180473	563166939	/nfs/dbraw/zinc/16/69/39/563166939.db2.gz	PYZGOGXMYGHHEK-HIYJLLEYSA-N	-1	0	444.612	5.899	1	30		IKEFRM
Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccccc2C(=O)C=CC=Cc2ccccc2)cc1	ZINC000073240688	563171354	/nfs/dbraw/zinc/17/13/54/563171354.db2.gz	AFGUOIXFCMECBR-XMGZOKRTSA-N	-1	0	446.528	5.162	1	30		IKEFRM
CCCCCCCCCCCC(=O)c1c(C)c(CCC(=O)[O-])n(-c2ccccc2)c1C	ZINC000082158014	563173851	/nfs/dbraw/zinc/17/38/51/563173851.db2.gz	XBIFKVXSPKDQCM-UHFFFAOYSA-N	-1	0	425.613	7.215	1	30		IKEFRM
CCCCCCn1cc(COc2ccc(C(=O)/C=C/c3ccc(OC)cc3)c([O-])c2)nn1	ZINC000084672175	563175556	/nfs/dbraw/zinc/17/55/56/563175556.db2.gz	ZSVKPRRCMJXXCB-NTEUORMPSA-N	-1	0	435.524	5.048	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1cccc(-c2ccc(OC(C)C)c(C#N)c2)n1	ZINC000084672519	563175590	/nfs/dbraw/zinc/17/55/90/563175590.db2.gz	XYNFZCMABOUIDI-UHFFFAOYSA-N	-1	0	428.532	6.044	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1nc(-c2ccc(OC(C)C)c(C#N)c2)ns1	ZINC000084690098	563176340	/nfs/dbraw/zinc/17/63/40/563176340.db2.gz	LOHBZDNRNNCIQZ-UHFFFAOYSA-N	-1	0	435.549	5.501	1	30		IKEFRM
O=C1C(=O)C(Sc2ccccc2)=C(Sc2ccccc2)C([O-])=C1Sc1ccccc1	ZINC000084725389	563178076	/nfs/dbraw/zinc/17/80/76/563178076.db2.gz	MRNZAJLCLJEEKB-UHFFFAOYSA-N	-1	0	448.590	6.496	1	30		IKEFRM
CCCCCCCCNC(=O)n1c2ccc(Cl)cc2c2ccc([C@H](C)C(=O)[O-])cc21	ZINC000095557356	563181596	/nfs/dbraw/zinc/18/15/96/563181596.db2.gz	XVQHXJRODSXPGV-INIZCTEOSA-N	-1	0	428.960	6.554	1	30		IKEFRM
C/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1/C(=N\[O-])c1c(=O)[nH]cc(-c2ccc(O)cc2)c1O	ZINC000095574535	563185318	/nfs/dbraw/zinc/18/53/18/563185318.db2.gz	ISDLLWLUGSJFOM-ONKNDHTLSA-N	-1	0	448.563	5.452	1	30		IKEFRM
N#Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1Oc1ccccc1-c1ccccc1	ZINC000095583262	563188226	/nfs/dbraw/zinc/18/82/26/563188226.db2.gz	MELSZUPTQDXPSV-UHFFFAOYSA-N	-1	0	433.514	5.275	1	30		IKEFRM
Cc1csc([N-]S(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)n1	ZINC000095585690	563188953	/nfs/dbraw/zinc/18/89/53/563188953.db2.gz	GVMDPIVLIPGNQA-UHFFFAOYSA-N	-1	0	447.541	5.583	1	30		IKEFRM
Clc1cc(-c2n[nH]cc2C=N[N-]c2nc3cc(Cl)cc(Cl)c3o2)c(Cl)s1	ZINC000095591520	563190273	/nfs/dbraw/zinc/19/02/73/563190273.db2.gz	XFJRKROGOYRTQR-IGCPIRJNSA-N	-1	0	447.134	6.339	1	30		IKEFRM
Cc1ccc(S[C@H](c2ccc([N+](=O)[O-])cc2)C2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000095594193	563190922	/nfs/dbraw/zinc/19/09/22/563190922.db2.gz	LOHBSYDRRCTVLD-XMMPIXPASA-N	-1	0	431.469	5.628	1	30		IKEFRM
Cc1ccccc1S[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000095598165	563192083	/nfs/dbraw/zinc/19/20/83/563192083.db2.gz	UZWMXNMSLSHUDJ-DEOSSOPVSA-N	-1	0	431.469	5.628	1	30		IKEFRM
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)CO[C@H](C)C(=O)[O-]	ZINC000095618213	571797531	/nfs/dbraw/zinc/79/75/31/571797531.db2.gz	KOLAFJFESDNVMY-JQCUGZDKSA-N	-1	0	428.610	5.418	1	30	endogenous,in-man	IKEFRM
C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@H]([C@@H](C)CC)C(C)(C)CC[C@]32C)[C@@]1(C)CCC(=O)[O-]	ZINC000070455272	291394275	/nfs/dbraw/zinc/39/42/75/291394275.db2.gz	XRMAXWTVSHRVBY-YMYIBVECSA-N	-1	0	428.701	8.285	1	30	biogenic,in-vitro	IKEFRM
CCCCCC/C=C\C[C@H](CC)CCC[C@H](CC(=O)[O-])CC1(c2ccccc2)CCCC1	ZINC000085506016	291402065	/nfs/dbraw/zinc/40/20/65/291402065.db2.gz	TYAMTDZTJVXNPN-XQTGMEDSSA-N	-1	0	440.712	9.093	1	30	biogenic,in-vitro	IKEFRM
CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)[O-])[C@H](O)[C@H]1CC[C@@H]2CCC[C@]2(O)C1	ZINC000085492974	291402811	/nfs/dbraw/zinc/40/28/11/291402811.db2.gz	YYAHKFXVJRZDQN-YVBDASLTSA-N	-1	0	440.665	5.441	1	30	biogenic,in-vitro	IKEFRM
CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@H](O)CCCCC	ZINC000085493024	291402823	/nfs/dbraw/zinc/40/28/23/291402823.db2.gz	DYMHHOYPAWJLPI-UARRHKHWSA-N	-1	0	430.670	5.832	1	30	biogenic,in-vitro	IKEFRM
C[C@H](C=O)CCCCC[C@H](CCC[C@H](/C=C/C(=O)[O-])CCCO)Cc1ccc(O)cc1	ZINC000085510521	560073993	/nfs/dbraw/zinc/07/39/93/560073993.db2.gz	JPVGRIIONABACJ-KEBJBGSRSA-N	-1	0	432.601	5.536	1	30	biogenic,in-vitro	IKEFRM
CCCCCC/C=C\C[C@H](CCC[C@H](CCc1ccccc1)CC(=O)[O-])CCC(C)C	ZINC000085506049	560074603	/nfs/dbraw/zinc/07/46/03/560074603.db2.gz	MTZGAGHRRROZFS-MJDUSFNCSA-N	-1	0	428.701	8.850	1	30	biogenic,in-vitro	IKEFRM
C/C(=N\O[C@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000003919210	562939297	/nfs/dbraw/zinc/93/92/97/562939297.db2.gz	USBHSZPRMPADOE-QMFOPCRCSA-N	-1	0	432.520	5.912	1	30		IKEFRM
CC1=C([O-])[C@](C)(Cc2ccc(-c3ccc(COCc4ccccc4)cc3)cc2)SC1=O	ZINC000004617136	562943357	/nfs/dbraw/zinc/94/33/57/562943357.db2.gz	GLTHVXPXRDWKAW-MHZLTWQESA-N	-1	0	430.569	6.477	1	30		IKEFRM
Cc1[n-]n(-c2ncc(-c3ccccc3)s2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N	ZINC000013151870	562985474	/nfs/dbraw/zinc/98/54/74/562985474.db2.gz	BGAVJZLWCJRXEB-OAQYLSRUSA-N	-1	0	445.935	5.046	3	30		IKEFRM
Cc1cc(OCC(=O)[O-])cc(C)c1Cc1cc(C#Cc2ccc(N)cc2)c(O)c(C(C)C)c1	ZINC000013475087	562988878	/nfs/dbraw/zinc/98/88/78/562988878.db2.gz	RGPPXBMUCFRACH-UHFFFAOYSA-N	-1	0	443.543	5.169	1	30		IKEFRM
C/C(CC(=O)[O-])=N\O[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1	ZINC000013557738	562993372	/nfs/dbraw/zinc/99/33/72/562993372.db2.gz	CYMQVPPOYFTADQ-BOBZGOHDSA-N	-1	0	446.547	6.302	1	30		IKEFRM
C/C(=N\O[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCCC1)C(=O)[O-]	ZINC000013557774	562993377	/nfs/dbraw/zinc/99/33/77/562993377.db2.gz	YDJRTXWNSWVXJC-DYIFSOBNSA-N	-1	0	446.547	6.302	1	30		IKEFRM
C/C(=N\O[C@@H](Cc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)[O-]	ZINC000013557783	562993408	/nfs/dbraw/zinc/99/34/08/562993408.db2.gz	PFBGWKUBQYNPSM-QICHVEDASA-N	-1	0	440.499	5.575	1	30		IKEFRM
COc1cc(OCc2ccc3ccccc3n2)ccc1[C@@H](O/N=C/C(=O)[O-])C1CCCCC1	ZINC000013557879	562993460	/nfs/dbraw/zinc/99/34/60/562993460.db2.gz	OMFMRSCTQHDFIR-FXXTWSIJSA-N	-1	0	448.519	5.531	1	30		IKEFRM
O=C([O-])/C=N/O[C@@H](c1ccc(OCc2ccc3cc(F)ccc3n2)cc1)C1CCCCC1	ZINC000013557808	562993470	/nfs/dbraw/zinc/99/34/70/562993470.db2.gz	HYCWMLYFOHMZCY-RXKZJVHISA-N	-1	0	436.483	5.661	1	30		IKEFRM
N#Cc1ccc(OCc2ccc3ncoc3c2)cc1O[C@H](C(=O)[O-])c1ccccc1Cl	ZINC000013558065	562993534	/nfs/dbraw/zinc/99/35/34/562993534.db2.gz	RCVFWMIUKHASCX-QFIPXVFZSA-N	-1	0	434.835	5.137	1	30		IKEFRM
N#Cc1ccc(OCc2ccc3ncoc3c2)cc1O[C@@H](C(=O)[O-])c1ccccc1Cl	ZINC000013558066	562993538	/nfs/dbraw/zinc/99/35/38/562993538.db2.gz	RCVFWMIUKHASCX-JOCHJYFZSA-N	-1	0	434.835	5.137	1	30		IKEFRM
N#Cc1ccc(OCc2ccsc2)cc1O[C@H](C(=O)[O-])c1ccccc1Br	ZINC000013558011	562993551	/nfs/dbraw/zinc/99/35/51/562993551.db2.gz	DMMQTLBLUKOVDU-IBGZPJMESA-N	-1	0	444.306	5.166	1	30		IKEFRM
[O-]c1c(Br)cc(/C=N/Oc2cc(Cl)cc(Cl)c2)cc1Br	ZINC000013611093	562997745	/nfs/dbraw/zinc/99/77/45/562997745.db2.gz	NMSQJLDXGSGWDB-NGYBGAFCSA-N	-1	0	439.918	5.637	1	30		IKEFRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccc(OCc3ccc4ccccc4n3)cc2)c1O	ZINC000013761577	563005291	/nfs/dbraw/zinc/00/52/91/563005291.db2.gz	HAWPNKMQRDDAER-XNTDXEJSSA-N	-1	0	425.440	5.114	1	30		IKEFRM
O=C([O-])COc1cccc2c1CCC[C@H]2CC/C=N/OC(c1ccccc1)c1ccccc1	ZINC000026010813	563028450	/nfs/dbraw/zinc/02/84/50/563028450.db2.gz	HTVLNXCMVKGGDM-JCJHSNGYSA-N	-1	0	443.543	6.142	1	30		IKEFRM
C/C(C[C@H]1CCc2c(cccc2OCC(=O)[O-])C1)=N\O[C@@H](c1ccccc1)c1ccccn1	ZINC000026020697	563028662	/nfs/dbraw/zinc/02/86/62/563028662.db2.gz	DUNMYNKZODHPRF-XHXFFDMNSA-N	-1	0	444.531	5.222	1	30		IKEFRM
O=C([O-])c1cc(F)cc(C(=O)/C=C/c2cccc(/C=C/c3ccc4ccccc4n3)c2)c1O	ZINC000026025195	563028715	/nfs/dbraw/zinc/02/87/15/563028715.db2.gz	IQRQDDCMOXNYHM-BLTLMDCKSA-N	-1	0	439.442	5.844	1	30		IKEFRM
C=CC(=C)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)[O-]	ZINC000026399967	563031832	/nfs/dbraw/zinc/03/18/32/563031832.db2.gz	GWBWZZQXKZCWHM-QBSKXXDRSA-N	-1	0	428.569	5.429	1	30		IKEFRM
Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(OCc3ccc4ccccc4n3)c2)cc1	ZINC000026490744	563032521	/nfs/dbraw/zinc/03/25/21/563032521.db2.gz	LCVBPPGYVFKCMF-UHFFFAOYSA-N	-1	0	446.528	5.010	1	30		IKEFRM
CC(/C=C/C1=C(C)C(=O)[C@H](C/C=C/c2ccccc2)CC1(C)C)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000026820728	563036927	/nfs/dbraw/zinc/03/69/27/563036927.db2.gz	IKKQFAFPWVMQQF-DGDKLVDWSA-N	-1	0	430.588	7.111	1	30		IKEFRM
CC(C)(C)c1ccc(C2=CCC(C)(C)c3ccc(C#Cc4ccc(C(=O)[O-])cc4)cc32)cc1	ZINC000027646416	563045087	/nfs/dbraw/zinc/04/50/87/563045087.db2.gz	WIZHKNTXIRSNRK-UHFFFAOYSA-N	-1	0	434.579	7.195	1	30		IKEFRM
CO[C@@H](Cc1ccc(C#CCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000028358143	563053477	/nfs/dbraw/zinc/05/34/77/563053477.db2.gz	KNNHPJKYTMZLEP-SANMLTNESA-N	-1	0	430.500	5.332	1	30		IKEFRM
CCCC/C(C)=C/C=C(\C)C(=O)c1c([O-])cc([C@@H](C)CCCCNC(=O)OC)oc1=O	ZINC000028396238	563054569	/nfs/dbraw/zinc/05/45/69/563054569.db2.gz	SSRFQFZTUQNNET-XWUQSQRRSA-N	-1	0	433.545	5.241	1	30		IKEFRM
CCC[C@]1(Cc2cccc3ccccc32)CC(=O)C(Sc2cc(C)ccc2C)=C([O-])O1	ZINC000028466870	563055393	/nfs/dbraw/zinc/05/53/93/563055393.db2.gz	ZFRCOJYVABAXIU-MHZLTWQESA-N	-1	0	432.585	7.047	1	30		IKEFRM
Cc1ccc(C)c(SC2=C([O-])O[C@@](COc3ccccc3)(c3ccccc3)CC2=O)c1	ZINC000028472656	563055555	/nfs/dbraw/zinc/05/55/55/563055555.db2.gz	WFJKSGRFVLRUIR-SANMLTNESA-N	-1	0	432.541	6.087	1	30		IKEFRM
Cc1ccc(C(C)(C)C)c(SC2=C([O-])O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c1	ZINC000028477109	563055848	/nfs/dbraw/zinc/05/58/48/563055848.db2.gz	ABXKNNGMEKVIBB-HHHXNRCGSA-N	-1	0	438.633	7.129	1	30		IKEFRM
O=C(CCCCCCCCCCCCc1ccc2c(c1)OCC2)C1=C([O-])[C@H](O)CCC1=O	ZINC000028654941	563061290	/nfs/dbraw/zinc/06/12/90/563061290.db2.gz	MRQNTXNVJYAQEC-XMMPIXPASA-N	-1	0	442.596	5.560	1	30		IKEFRM
CC/C(=N\Oc1cccc(Cl)c1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028977194	563071496	/nfs/dbraw/zinc/07/14/96/563071496.db2.gz	MTLQYQVNDKGURW-HYARGMPZSA-N	-1	0	441.258	5.448	1	30		IKEFRM
C/C(=N\Oc1ccc(Cl)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028977217	563071507	/nfs/dbraw/zinc/07/15/07/563071507.db2.gz	WABGNNANGJMUET-ZVBGSRNCSA-N	-1	0	427.231	5.058	1	30		IKEFRM
CCCCCCCCCCCCCC[C@H](CC(=O)[O-])C(=O)N[C@H](C(=O)NC)C(C)(C)C	ZINC000034801733	563087529	/nfs/dbraw/zinc/08/75/29/563087529.db2.gz	DGYOAFGUADSYMB-IFMALSPDSA-N	-1	0	440.669	5.445	1	30		IKEFRM
CCCCCCCCCCOc1ccc(CCC(=O)COc2cccc(C(=O)[O-])c2)cc1	ZINC000036144225	563091313	/nfs/dbraw/zinc/09/13/13/563091313.db2.gz	IEAOOTAXRGVZFV-UHFFFAOYSA-N	-1	0	440.580	6.485	1	30		IKEFRM
CCCCCCCCCCCCCCCCCCOC[C@H](CCC(=O)[O-])NC(C)=O	ZINC000036144464	563091415	/nfs/dbraw/zinc/09/14/15/563091415.db2.gz	BVBYZAMGDGQOLF-DEOSSOPVSA-N	-1	0	427.670	6.634	1	30		IKEFRM
C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)CCC[C@]43C)[C@@H]12	ZINC000040404935	563101254	/nfs/dbraw/zinc/10/12/54/563101254.db2.gz	PTQVWLXNKDWNRD-INPVNEGFSA-N	-1	0	440.712	8.119	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)C[C@H](F)[P@@](=O)([O-])O	ZINC000043481820	563120510	/nfs/dbraw/zinc/12/05/10/563120510.db2.gz	XNYDYIXHIQHKEW-RTBURBONSA-N	-1	0	426.506	5.235	1	30		IKEFRM
CCCCCCCCCCCCCCO[C@@H](CO)COc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000043552521	563120773	/nfs/dbraw/zinc/12/07/73/563120773.db2.gz	PTHGHMSPAXULKP-QHCPKHFHSA-N	-1	0	448.604	5.900	1	30		IKEFRM
CCCCCCCCCCOc1ccc(OCCCOc2ccc(C(=O)[O-])cc2)cc1	ZINC000043598427	563120918	/nfs/dbraw/zinc/12/09/18/563120918.db2.gz	DJMZSHWSQUVHRC-UHFFFAOYSA-N	-1	0	428.569	6.752	1	30		IKEFRM
CCCCCCCCCCCCCCCCNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1	ZINC000043598999	563120920	/nfs/dbraw/zinc/12/09/20/563120920.db2.gz	VRFLAQSQYBCWPE-JOCHJYFZSA-N	-1	0	432.649	6.783	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)[C@@H](O)C[P@@](=O)([O-])O	ZINC000044247133	563121794	/nfs/dbraw/zinc/12/17/94/563121794.db2.gz	RTUKNWBCTSYVKX-UNMCSNQZSA-N	-1	0	435.586	5.147	1	30		IKEFRM
CCCCCCCCCCCCCCC(=O)C(=O)N[C@H](/C=C/C=C/C(=O)[O-])CCCC	ZINC000044387320	563121966	/nfs/dbraw/zinc/12/19/66/563121966.db2.gz	YPFAALSJOUPKEM-YVKTVTHQSA-N	-1	0	435.649	6.519	1	30		IKEFRM
C=C1CC/C=C(\C)C[C@H](OC(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)CC(C)(C)C[C@@H]1O	ZINC000045298800	563128982	/nfs/dbraw/zinc/12/89/82/563128982.db2.gz	BEGNREDAIBTXLW-MBTPQOSNSA-N	-1	0	429.513	5.079	1	30		IKEFRM
CCCCCCCCCCC(=O)OCC(C)(C)CC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000049694674	563139144	/nfs/dbraw/zinc/13/91/44/563139144.db2.gz	YXGFFQOPOYMUHL-UHFFFAOYSA-N	-1	0	428.569	6.368	1	30		IKEFRM
CCCCCCCCN(C/C=C/C(C)=C/C(=O)[O-])c1cc(C(C)(C)C)cc(C(C)(C)C)c1	ZINC000053268074	563141593	/nfs/dbraw/zinc/14/15/93/563141593.db2.gz	UDVMICRJXWINTB-ZKYGTFQSSA-N	-1	0	441.700	8.036	1	30		IKEFRM
O=C([O-])c1cc(Cl)cc(C(=O)/C=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)c1O	ZINC000058563917	563144542	/nfs/dbraw/zinc/14/45/42/563144542.db2.gz	ZLRLGXVWFRCZEN-JXMROGBWSA-N	-1	0	448.862	5.095	1	30		IKEFRM
CCO/N=C1\C[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)c2cc(Cl)c(C(C)C)c(Cl)c21	ZINC000064549771	563155741	/nfs/dbraw/zinc/15/57/41/563155741.db2.gz	SHQFXHWDSHOIND-GTBJSZJISA-N	-1	0	426.384	6.410	1	30		IKEFRM
CC[C@@H](C)C[C@@H](C)/C=C(\C)C=CC=CC(=O)c1c(O)c(C2=CC[C@@H](O)CC2)cn([O-])c1=O	ZINC000066075128	563157380	/nfs/dbraw/zinc/15/73/80/563157380.db2.gz	BFJKFLDLQKCOHR-BFIBXSCBSA-N	-1	0	441.568	5.033	1	30		IKEFRM
CC1(C)CC=C(C#Cc2ccccc2)c2ccc(C3=NO[C@@H](c4ccc(C(=O)[O-])cc4)C3)cc21	ZINC000071296160	563161676	/nfs/dbraw/zinc/16/16/76/563161676.db2.gz	RQTNUVXKIAJZSF-MUUNZHRXSA-N	-1	0	447.534	6.367	1	30		IKEFRM
O=C([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1	ZINC000072178228	563166179	/nfs/dbraw/zinc/16/61/79/563166179.db2.gz	OYFWJVKEOKVJKG-UHFFFAOYSA-N	-1	0	429.497	5.839	1	30		IKEFRM
CC[C@@H](C)C(=O)C1=C([O-])C(C)=C2O[C@@H]([C@@](C)(O)CCC=C(C)C)C[C@@]2(CC=C(C)C)C1=O	ZINC000072179079	563166356	/nfs/dbraw/zinc/16/63/56/563166356.db2.gz	GKXZMMSWIIFNIR-XXLHLPPLSA-N	-1	0	444.612	5.899	1	30		IKEFRM
O=C([O-])c1ccc(C#Cc2cccc(Cl)c2)cc1SCc1ccc(Cl)c(Cl)c1	ZINC000073138536	563168822	/nfs/dbraw/zinc/16/88/22/563168822.db2.gz	UKIYGLZZDOABCD-UHFFFAOYSA-N	-1	0	447.770	7.037	1	30		IKEFRM
CCCCCCCCCCCC(=O)c1c(C)c(CCC(=O)[O-])n(Cc2ccccc2)c1C	ZINC000082158018	563173868	/nfs/dbraw/zinc/17/38/68/563173868.db2.gz	CKEDUHZVBDMZNY-UHFFFAOYSA-N	-1	0	439.640	7.274	1	30		IKEFRM
CCCCCCCCCCCCCCCC(=O)[N-]S(=O)(=O)Oc1ccc(C)cc1	ZINC000084687365	563175697	/nfs/dbraw/zinc/17/56/97/563175697.db2.gz	GKACBJYEJVTTPK-UHFFFAOYSA-N	-1	0	425.635	7.056	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cncc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1	ZINC000084690143	563176310	/nfs/dbraw/zinc/17/63/10/563176310.db2.gz	MFBZLLJLKNMBSJ-UHFFFAOYSA-N	-1	0	434.565	5.307	1	30		IKEFRM
O=C(/C=C/c1ccc(Cl)cc1)c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1[O-]	ZINC000084690393	563176410	/nfs/dbraw/zinc/17/64/10/563176410.db2.gz	FYJOJIWSQKPZRB-MDWZMJQESA-N	-1	0	445.906	5.161	1	30		IKEFRM
N#Cc1cc(S(=O)(=O)[N-]c2cnsc2)ccc1Oc1ccccc1-c1ccccc1	ZINC000095582721	563187954	/nfs/dbraw/zinc/18/79/54/563187954.db2.gz	VTZPRTNZJNFIHP-UHFFFAOYSA-N	-1	0	433.514	5.275	1	30		IKEFRM
Cc1scnc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2-c2ccccc2)c(C#N)c1	ZINC000095585355	563188843	/nfs/dbraw/zinc/18/88/43/563188843.db2.gz	MQONOAOSZVHPGH-UHFFFAOYSA-N	-1	0	447.541	5.583	1	30		IKEFRM
Clc1cc2nc([N-]N=Cc3c[nH]nc3-c3ccc(-c4ccccc4)cc3)oc2c(Cl)c1	ZINC000095590217	563189966	/nfs/dbraw/zinc/18/99/66/563189966.db2.gz	CAGKMMQBVVCCPO-UVHMKAGCSA-N	-1	0	448.313	6.638	1	30		IKEFRM
CC(C)=CCC[C@]1(C)C=Cc2c([O-])c(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)ccc2O1	ZINC000095591015	563190192	/nfs/dbraw/zinc/19/01/92/563190192.db2.gz	OCIOEOPQPFHXHR-UVXPNCNTSA-N	-1	0	443.370	7.506	1	30		IKEFRM
COc1ccc(S[C@H](c2ccc([N+](=O)[O-])cc2)C2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000095593855	563190841	/nfs/dbraw/zinc/19/08/41/563190841.db2.gz	IUPGEEACJMDXAO-XMMPIXPASA-N	-1	0	447.468	5.328	1	30		IKEFRM
Cc1cccc(S[C@H](c2ccc([N+](=O)[O-])cc2)C2=C([O-])C(=O)c3ccccc3C2=O)c1	ZINC000095597219	563191796	/nfs/dbraw/zinc/19/17/96/563191796.db2.gz	IRNJHPZGLPFAHN-XMMPIXPASA-N	-1	0	431.469	5.628	1	30		IKEFRM
Cc1cc(O)c(C(C)C)cc1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000095598297	563192047	/nfs/dbraw/zinc/19/20/47/563192047.db2.gz	HOEOXQUZIJRNTE-DNTJNYDQSA-N	-1	0	427.136	5.805	1	30		IKEFRM
CC1(C)CC=C(c2cc(C3=C[C@@H]4C=C[C@H](C3)O4)ccc2NC(=O)c2ncc(C#N)[n-]2)CC1	ZINC000096168489	563195294	/nfs/dbraw/zinc/19/52/94/563195294.db2.gz	MKUNMRWXBFKQBO-LEWJYISDSA-N	-1	0	426.520	5.238	1	30		IKEFRM
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)CO[C@@H](C)C(=O)[O-]	ZINC000095618210	571797528	/nfs/dbraw/zinc/79/75/28/571797528.db2.gz	KOLAFJFESDNVMY-VJLWCUKXSA-N	-1	0	428.610	5.418	1	30	endogenous,in-man	IKEFRM
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1C[C@H](F)[P@@](=O)([O-])O1	ZINC000038147697	541108069	/nfs/dbraw/zinc/10/80/69/541108069.db2.gz	UGBUOUYFLYVPPG-LEWJYISDSA-N	-1	0	436.545	7.061	1	30		IKEFRM
C/C=C/CC1(C/C=C/C)C(=O)C(=O)Cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c21	ZINC000095486186	291394156	/nfs/dbraw/zinc/39/41/56/291394156.db2.gz	DVMPTZOCESNYKY-KQQUZDAGSA-N	-1	0	436.504	5.365	1	30	biogenic,in-vitro	IKEFRM
CC(C)=CCC/C(=C/CC/C(C)=C/CCC(C)=CCC1=CC(=O)C(C)=C(C)C1=O)C(=O)[O-]	ZINC000084154546	291396267	/nfs/dbraw/zinc/39/62/67/291396267.db2.gz	LFQUGWZUSHDCOE-XKACVPJNSA-N	-1	0	438.608	7.002	1	30	biogenic,in-vitro	IKEFRM
C[C@H](C=O)CCCCC[C@H](CCCC1(/C=C/C(=O)[O-])CCCC1)Cc1ccc(O)cc1	ZINC000085510556	560073965	/nfs/dbraw/zinc/07/39/65/560073965.db2.gz	IKIWPRMRWPISCL-UKCUSRKESA-N	-1	0	428.613	6.708	1	30	biogenic,in-vitro	IKEFRM
CCCCCC/C=C\CCC[C@@H]1CC[C@@H](C2(c3ccccc3)CCCC2)[C@H](CC(=O)[O-])C1	ZINC000085505948	560074583	/nfs/dbraw/zinc/07/45/83/560074583.db2.gz	JXFMSYQRXUUOOG-KHAPNDGLSA-N	-1	0	438.696	8.703	1	30	biogenic,in-vitro	IKEFRM
CC1=C(CCO/N=C(/c2ccccc2)c2cccnc2)c2cccc(OCC(=O)[O-])c2CC1	ZINC000014952425	560227703	/nfs/dbraw/zinc/22/77/03/560227703.db2.gz	VSVQEQDGOFPGAT-OHYPFYFLSA-N	-1	0	442.515	5.124	1	30	in-vitro	IKEFRM
C/C(=N\O[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000003946214	562939677	/nfs/dbraw/zinc/93/96/77/562939677.db2.gz	USBHSZPRMPADOE-MJHSOURCSA-N	-1	0	432.520	5.912	1	30		IKEFRM
O=C([O-])COc1cccc2c1CC[C@@H](C/C=N/OC(c1ccccc1)c1ccccc1)C2	ZINC000003943702	562939697	/nfs/dbraw/zinc/93/96/97/562939697.db2.gz	KHZVLIGYCOKVNA-VJKRCDFGSA-N	-1	0	429.516	5.437	1	30		IKEFRM
CC1=C([O-])[C@@](C)(Cc2ccc(-c3ccc(COCc4ccccc4)cc3)cc2)SC1=O	ZINC000009294772	562969040	/nfs/dbraw/zinc/96/90/40/562969040.db2.gz	GLTHVXPXRDWKAW-HHHXNRCGSA-N	-1	0	430.569	6.477	1	30		IKEFRM
C=CCCCOC1=C(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21	ZINC000013473444	562988309	/nfs/dbraw/zinc/98/83/09/562988309.db2.gz	DSQSZBYLXUBISF-HSZRJFAPSA-N	-1	0	438.476	5.115	1	30		IKEFRM
Cc1cc(OCC(=O)[O-])cc(C)c1Cc1cc(C#Cc2ccccc2)c(O)c(C(C)C)c1	ZINC000013475085	562988792	/nfs/dbraw/zinc/98/87/92/562988792.db2.gz	NSMJTCRIXMAXDP-UHFFFAOYSA-N	-1	0	428.528	5.586	1	30		IKEFRM
C/C(=N\O[C@H](Cc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)[O-]	ZINC000013557784	562993381	/nfs/dbraw/zinc/99/33/81/562993381.db2.gz	PFBGWKUBQYNPSM-DYIFSOBNSA-N	-1	0	440.499	5.575	1	30		IKEFRM
C/C(=N\O[C@@H](c1ccc(OCc2ccc3ccccc3n2)c(C)c1)C1CCCCC1)C(=O)[O-]	ZINC000013557886	562993458	/nfs/dbraw/zinc/99/34/58/562993458.db2.gz	ZBZNIKTVTHQJBU-DYIFSOBNSA-N	-1	0	446.547	6.221	1	30		IKEFRM
O=C([O-])/C=N/O[C@@H](c1ccc(OCc2nc3cc(F)ccc3s2)cc1)C1CCCCC1	ZINC000013557844	562993482	/nfs/dbraw/zinc/99/34/82/562993482.db2.gz	JHKKPUDUFOIHDK-ABBHQSEISA-N	-1	0	442.512	5.723	1	30		IKEFRM
C/C(=N\O[C@H](Cc1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-]	ZINC000013557804	562993484	/nfs/dbraw/zinc/99/34/84/562993484.db2.gz	SUEULEVZLWHJSS-DYIFSOBNSA-N	-1	0	446.547	5.782	1	30		IKEFRM
C=CC[C@@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1	ZINC000013834176	563011906	/nfs/dbraw/zinc/01/19/06/563011906.db2.gz	CMNLOAUYHHYCHS-QHCPKHFHSA-N	-1	0	439.511	6.374	1	30		IKEFRM
CCCCCCCCCC[C@@H](C)OC([O-])=NC(=O)Oc1c(C(C)C)cccc1C(C)C	ZINC000014263382	563014486	/nfs/dbraw/zinc/01/44/86/563014486.db2.gz	KIYOCCXOZZANBO-OAQYLSRUSA-N	-1	0	433.633	8.078	1	30		IKEFRM
N#Cc1cc(Cl)cc(C(=O)/C=C/c2cccc(/C=C/c3ccc4ccccc4n3)c2)c1[O-]	ZINC000026023993	563028711	/nfs/dbraw/zinc/02/87/11/563028711.db2.gz	DOJFGABESYVMQD-BLTLMDCKSA-N	-1	0	436.898	6.532	1	30		IKEFRM
C=CC(=C)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)[O-]	ZINC000026399963	563031819	/nfs/dbraw/zinc/03/18/19/563031819.db2.gz	GWBWZZQXKZCWHM-AWFHYLKNSA-N	-1	0	428.569	5.429	1	30		IKEFRM
COc1c(C(=O)OCC(C)(C)CC2=C([O-])c3ccccc3C(=O)C2=O)ccc2ccccc21	ZINC000028457645	563054819	/nfs/dbraw/zinc/05/48/19/563054819.db2.gz	ZDXKNRSYOCLUTO-UHFFFAOYSA-N	-1	0	444.483	5.313	1	30		IKEFRM
Cc1ccc(C)c(SC2=C([O-])O[C@](COc3ccccc3)(c3ccccc3)CC2=O)c1	ZINC000028472660	563055543	/nfs/dbraw/zinc/05/55/43/563055543.db2.gz	WFJKSGRFVLRUIR-AREMUKBSSA-N	-1	0	432.541	6.087	1	30		IKEFRM
O=C(CCCCCCCCCCCCc1ccc2c(c1)OCC2)C1=C([O-])[C@@H](O)CCC1=O	ZINC000028654943	563061301	/nfs/dbraw/zinc/06/13/01/563061301.db2.gz	MRQNTXNVJYAQEC-DEOSSOPVSA-N	-1	0	442.596	5.560	1	30		IKEFRM
N#Cc1c(=O)[n-]c(-c2cc(-c3ccccc3)ccc2O)cc1-c1cc(Cl)ccc1Cl	ZINC000028821534	563065356	/nfs/dbraw/zinc/06/53/56/563065356.db2.gz	LWJXZHBKKRIBDK-UHFFFAOYSA-N	-1	0	433.294	6.260	1	30		IKEFRM
CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(C#CC(=O)[O-])ccc3OC(F)(F)F)cc21	ZINC000028952158	563069775	/nfs/dbraw/zinc/06/97/75/563069775.db2.gz	FIAHFNJVIGTRJF-UHFFFAOYSA-N	-1	0	445.437	5.031	1	30		IKEFRM
CC(C)/C(=N\Oc1ccc(F)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000028977259	563071503	/nfs/dbraw/zinc/07/15/03/563071503.db2.gz	RFGNKEMMEIEOCU-XQNSMLJCSA-N	-1	0	438.830	5.180	1	30		IKEFRM
C[C@@H]1CC[C@]2(C)[C@H]3CC[C@@](C)(C=O)[C@]3(C)CC[C@H]2[C@]1(C)Cc1cc(C(=O)[O-])ccc1O	ZINC000034207100	563085728	/nfs/dbraw/zinc/08/57/28/563085728.db2.gz	JBBYKAGPJLHVPI-VQMVVOJVSA-N	-1	0	426.597	6.107	1	30		IKEFRM
C=C1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000034212728	563085844	/nfs/dbraw/zinc/08/58/44/563085844.db2.gz	XWVVPZWKCNXREE-VSQYQUPVSA-N	-1	0	440.668	6.764	1	30		IKEFRM
CCCCCCCCCCOc1ccc(OC[C@@H](O)COc2ccc(C(=O)[O-])cc2)cc1	ZINC000036144260	563091293	/nfs/dbraw/zinc/09/12/93/563091293.db2.gz	JUBVMFKNYMYADX-QFIPXVFZSA-N	-1	0	444.568	5.723	1	30		IKEFRM
CCCCCCCC[C@H](O)c1ccc2ccc(C[C@H](O)c3cccc(C(=O)[O-])c3)nc2c1	ZINC000036189807	563091923	/nfs/dbraw/zinc/09/19/23/563091923.db2.gz	AZLNSYZMGHXYPE-UIOOFZCWSA-N	-1	0	435.564	5.993	1	30		IKEFRM
CCCCCCCCCCCCCOC([O-])=NC(=O)Oc1c(C(C)C)cccc1C(C)C	ZINC000036349729	563093190	/nfs/dbraw/zinc/09/31/90/563093190.db2.gz	CZZROJRYYDCZFC-UHFFFAOYSA-N	-1	0	447.660	8.469	1	30		IKEFRM
Cc1cc(CCC(=O)[O-])ccc1-c1nnc(-c2ccc(OCC(F)(F)F)c(C#N)c2)s1	ZINC000038147469	563096321	/nfs/dbraw/zinc/09/63/21/563096321.db2.gz	FKHLQVOCWQEMTI-UHFFFAOYSA-N	-1	0	447.438	5.011	1	30		IKEFRM
CCCCCCCCCCCCn1c2cc([N+](=O)[O-])ccc2cc2c(=O)[n-]c(=O)nc1-2	ZINC000038152173	563096660	/nfs/dbraw/zinc/09/66/60/563096660.db2.gz	MQPXQBSYGIKYCZ-UHFFFAOYSA-N	-1	0	426.517	5.019	1	30		IKEFRM
CCCCCCCCCCCCCCCCCC(=O)c1c2ccccc2n(C)c1C(=O)[O-]	ZINC000038158697	563096863	/nfs/dbraw/zinc/09/68/63/563096863.db2.gz	LLUAEQZGMCMJTM-UHFFFAOYSA-N	-1	0	441.656	8.321	1	30		IKEFRM
COc1cc(OC)c(-c2cc3ccccc3o2)cc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000038731645	563098168	/nfs/dbraw/zinc/09/81/68/563098168.db2.gz	CNUJYLFWXAWEII-VAWYXSNFSA-N	-1	0	428.440	5.711	1	30		IKEFRM
C#CCO/N=C1\C[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)c2cc(Cl)c(C(C)C)c(Cl)c21	ZINC000040915100	563111284	/nfs/dbraw/zinc/11/12/84/563111284.db2.gz	OCKVQLAYQLPSQI-KKXXGYEISA-N	-1	0	436.379	6.023	1	30		IKEFRM
CCCCCCCCCCCC(=O)N[C@@H](CCCCCC)CO[P@@](=O)([O-])CCCC	ZINC000043641043	563121138	/nfs/dbraw/zinc/12/11/38/563121138.db2.gz	KNPJUPLDEDWMOZ-QHCPKHFHSA-N	-1	0	447.641	7.365	1	30		IKEFRM
CCCCCCCCCCCCn1c2ccc(C(F)(F)F)cc2cc2c(=O)[n-]c(=O)nc1-2	ZINC000043241831	563119775	/nfs/dbraw/zinc/11/97/75/563119775.db2.gz	TWDRBHKXPVFOLZ-UHFFFAOYSA-N	-1	0	449.517	6.129	1	30		IKEFRM
CCCCCCCCCCCCCC[C@@H](COCc1ccccc1)NC(=O)/C=C/C(=O)[O-]	ZINC000043307876	563120049	/nfs/dbraw/zinc/12/00/49/563120049.db2.gz	GXPGFIHOYUJTOO-NJCFQMBCSA-N	-1	0	445.644	6.420	1	30		IKEFRM
CCCCCCCCCCCCCCCCNc1ccc(C(=O)[O-])cc1Br	ZINC000043664094	563121078	/nfs/dbraw/zinc/12/10/78/563121078.db2.gz	BXEWYNODXUZNKL-UHFFFAOYSA-N	-1	0	440.466	8.041	1	30		IKEFRM
CCCCCCCCCCCCCCCCNc1ccc(C([O-])=CC(=O)OCC)cc1	ZINC000043663960	563121087	/nfs/dbraw/zinc/12/10/87/563121087.db2.gz	NCIJDYNKYJVFLR-UHFFFAOYSA-N	-1	0	431.661	7.716	1	30		IKEFRM
CCCCCCCCOC[C@H](CO[P@@](=O)([O-])OC)SC(=O)CCCCCCC	ZINC000043888601	563121445	/nfs/dbraw/zinc/12/14/45/563121445.db2.gz	NQPHGFXWXMJIQP-LJQANCHMSA-N	-1	0	440.583	6.116	1	30		IKEFRM
CCCCCCCOC[C@H](COc1ccc(-c2nc(=O)o[n-]2)cc1)OCCCCCCC	ZINC000044018357	563121547	/nfs/dbraw/zinc/12/15/47/563121547.db2.gz	MRTOWNVJPRJMBR-HSZRJFAPSA-N	-1	0	448.604	6.164	1	30		IKEFRM
CCCCc1cccc(/C(C)=N/OCCCCO/N=C(/CCC(=O)[O-])c2ccccc2)c1	ZINC000045338533	563131741	/nfs/dbraw/zinc/13/17/41/563131741.db2.gz	SARCXQPFDLCCLT-LMVJEOCVSA-N	-1	0	438.568	5.836	1	30		IKEFRM
N#Cc1cccc(-c2ccccc2Cc2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)c1	ZINC000045390245	563133999	/nfs/dbraw/zinc/13/39/99/563133999.db2.gz	SYRMYDRBDXUBHO-UHFFFAOYSA-N	-1	0	428.488	5.706	1	30		IKEFRM
N#Cc1ccc(N(c2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)c2ccccc2)cc1	ZINC000049054986	563137147	/nfs/dbraw/zinc/13/71/47/563137147.db2.gz	ZSEFTYXIDLEBRK-UHFFFAOYSA-N	-1	0	429.476	5.918	1	30		IKEFRM
N#Cc1c([N-]c2nccs2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1	ZINC000049802514	563139927	/nfs/dbraw/zinc/13/99/27/563139927.db2.gz	NPIWTBKLISZNRA-UHFFFAOYSA-N	-1	0	441.545	5.384	1	30		IKEFRM
N#Cc1c(NC(=O)c2cccs2)nc(-c2ccccc2O)cc1-c1cccc(C(=O)[O-])c1	ZINC000049803489	563140112	/nfs/dbraw/zinc/14/01/12/563140112.db2.gz	RKYNKGUMMZZWOC-UHFFFAOYSA-N	-1	0	441.468	5.005	1	30		IKEFRM
CC(C)=C1CC[C@H]2[C@@](C)(CC[C@@H](C)[C@]2(C)CC2=CC(=O)C=C(C)C2=O)[C@@H]1CCC(=O)[O-]	ZINC000049878164	563140532	/nfs/dbraw/zinc/14/05/32/563140532.db2.gz	UKTQYWBDQDXWDJ-NTNJQHIWSA-N	-1	0	426.597	6.071	1	30		IKEFRM
CCCCCCCCCCCCCCc1ccc(S(=O)(=O)[N-]c2nncs2)cc1	ZINC000066074767	563157392	/nfs/dbraw/zinc/15/73/92/563157392.db2.gz	YBCPOZWSAZPCTA-UHFFFAOYSA-N	-1	0	437.675	6.583	1	30		IKEFRM
CCCCCCCCCCCCc1ccc(S(=O)(=O)[N-]c2nnc(CC)s2)cc1	ZINC000066098107	563157993	/nfs/dbraw/zinc/15/79/93/563157993.db2.gz	NQJAMQWCJPPKIO-UHFFFAOYSA-N	-1	0	437.675	6.365	1	30		IKEFRM
CC#C[C@H](CC(=O)[O-])c1ccc(O[C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)cc1	ZINC000071334574	563162537	/nfs/dbraw/zinc/16/25/37/563162537.db2.gz	RDGSLINMZIQBIF-NFBKMPQASA-N	-1	0	431.557	6.157	1	30		IKEFRM
CCCCCCCCCCCC(=O)c1c(C)n(C)c(CCC(=O)[O-])c1-c1ccccc1	ZINC000073224145	563170976	/nfs/dbraw/zinc/17/09/76/563170976.db2.gz	VMNRIVCOKMFPQZ-UHFFFAOYSA-N	-1	0	425.613	7.121	1	30		IKEFRM
CCc1c(CCCC(=O)[O-])cccc1-c1ncc(-c2ccc(OC(C)C)c(C#N)c2)cn1	ZINC000084690145	563176305	/nfs/dbraw/zinc/17/63/05/563176305.db2.gz	INNSEEKXRWQEKV-UHFFFAOYSA-N	-1	0	429.520	5.439	1	30		IKEFRM
CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]c5c(c4c3)CC[C@H]5CC(=O)[O-])no2)cc1C#N	ZINC000084740225	563179030	/nfs/dbraw/zinc/17/90/30/563179030.db2.gz	KWTLLGKUNNSDNF-AWEZNQCLSA-N	-1	0	442.475	5.048	1	30		IKEFRM
Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Cl)c1-c1nc(C#N)c(C#N)[n-]1	ZINC000084759537	563179859	/nfs/dbraw/zinc/17/98/59/563179859.db2.gz	CELMHGAYYAJMKD-UHFFFAOYSA-N	-1	0	445.619	5.293	1	30	in-man	IKEFRM
N#Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1Oc1cccc(-c2ccccc2)c1	ZINC000095583146	563188168	/nfs/dbraw/zinc/18/81/68/563188168.db2.gz	GJWUPMNKNFQZQK-UHFFFAOYSA-N	-1	0	433.514	5.275	1	30		IKEFRM
N#Cc1cc(S(=O)(=O)[N-]c2cncs2)ccc1Oc1ccccc1-c1ccccc1	ZINC000095585335	563188841	/nfs/dbraw/zinc/18/88/41/563188841.db2.gz	LWVVWZPHFBYSPB-UHFFFAOYSA-N	-1	0	433.514	5.275	1	30		IKEFRM
CC(C)=CCC[C@@]1(C)C=Cc2c([O-])c(C(=O)/C=C/c3cnc4ccccc4c3)ccc2O1	ZINC000095586120	563189198	/nfs/dbraw/zinc/18/91/98/563189198.db2.gz	BQPFAINRYNSKTG-LNMUWQJVSA-N	-1	0	425.528	6.747	1	30		IKEFRM
COc1ccc(/C=C/C(=O)c2ccc3c(c2[O-])C=C[C@](C)(CCC=C(C)C)O3)cc1OC	ZINC000095589497	563189730	/nfs/dbraw/zinc/18/97/30/563189730.db2.gz	LCZGFRSDMXLRMU-HSDHKRTLSA-N	-1	0	434.532	6.216	1	30		IKEFRM
CC(C)=CCC[C@@]1(C)C=Cc2c([O-])c(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)ccc2O1	ZINC000095591016	563190188	/nfs/dbraw/zinc/19/01/88/563190188.db2.gz	OCIOEOPQPFHXHR-VQEXNLMWSA-N	-1	0	443.370	7.506	1	30		IKEFRM
O=C([O-])c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)oc2cc1O	ZINC000095596245	563191445	/nfs/dbraw/zinc/19/14/45/563191445.db2.gz	WVNQJOXFTBTXOE-UHFFFAOYSA-N	-1	0	446.458	6.696	1	30		IKEFRM
CCCC/C(C)=C/C=C(\C)C(=O)c1c([O-])cc([C@H](C)CC/C=C/NC(=O)OC)oc1=O	ZINC000095606603	563194124	/nfs/dbraw/zinc/19/41/24/563194124.db2.gz	SPQDIDVJAZFBRL-WXFBSNOUSA-N	-1	0	431.529	5.364	1	30	in-vitro	IKEFRM
C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(=O)[O-]	ZINC000261498232	571863226	/nfs/dbraw/zinc/86/32/26/571863226.db2.gz	SATGKQGFUDXGAX-IGMUYRHBSA-N	-1	0	430.629	5.632	1	30	endogenous,in-man	IKEFRM