smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3CCC(C)=C3[C@@H](O)[C@H]12	ZINC000026492201	187206653	/nfs/dbraw/zinc/20/66/53/187206653.db2.gz	MMSYUBUZOOUQFA-BWFCBSELSA-N	0	0	248.322	2.211	1	30		BEEFRN
C(#Cc1nccc2occc21)Cn1ccnc1	ZINC000585145387	343880649	/nfs/dbraw/zinc/88/06/49/343880649.db2.gz	QIHFVZZMTZYFBA-UHFFFAOYSA-N	0	0	223.235	2.076	2	30		BEEFRN
CC(C)=C[C@@H](O)C1=CC(=O)c2ccccc2C1=O	ZINC000095588886	187287915	/nfs/dbraw/zinc/28/79/15/187287915.db2.gz	JZLVNEDLVOLLHB-CYBMUJFWSA-N	0	0	242.274	2.319	1	30		BEEFRN
CCCCC=C1C(=O)C(OC)=CC(=O)C1OC	ZINC000103220283	187291108	/nfs/dbraw/zinc/29/11/08/187291108.db2.gz	YJEYKGYXRULVGP-UHFFFAOYSA-N	0	0	238.283	2.149	1	30		BEEFRN
C#CCn1c2ccccc2c(=O)n1C(C)C	ZINC000095567375	187361756	/nfs/dbraw/zinc/36/17/56/187361756.db2.gz	JVBAZIAWKPUAIT-UHFFFAOYSA-N	0	0	214.268	2.017	3	30		BEEFRN
C/C(=N/NC(N)=S)C1=CCCc2ccccc21	ZINC000040566858	187601687	/nfs/dbraw/zinc/60/16/87/187601687.db2.gz	TUDYTKGUDDASOW-DHDCSXOGSA-N	0	0	245.351	2.225	1	30		BEEFRN
C=C(CSCCC)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O	ZINC000095591744	187974356	/nfs/dbraw/zinc/97/43/56/187974356.db2.gz	NGTKTKUQVWZEJL-YNEHKIRRSA-N	0	0	242.384	2.374	1	30		BEEFRN
CCCc1cn(Cc2ccc(C#N)cc2)nn1	ZINC000072155595	187961505	/nfs/dbraw/zinc/96/15/05/187961505.db2.gz	PJDGMQGZYBXJFC-UHFFFAOYSA-N	0	0	226.283	2.151	1	30		BEEFRN
C=C1[C@H](O)C[C@H]2C(=C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12	ZINC000040393900	188042882	/nfs/dbraw/zinc/04/28/82/188042882.db2.gz	DOTNUPYMOWSLMW-WWTHEZKUSA-N	0	0	248.322	2.067	1	30	biogenic,in-vitro	BEEFRN
C=CCn1cnc2c1ncnc2-c1ccco1	ZINC000005852988	188052393	/nfs/dbraw/zinc/05/23/93/188052393.db2.gz	HUNACELOTSWDKT-UHFFFAOYSA-N	0	0	226.239	2.272	1	30		BEEFRN
C=C[C@@H]1OC(/C=C/c2ccccc2)=N[C@H]1CO	ZINC000028381433	188233476	/nfs/dbraw/zinc/23/34/76/188233476.db2.gz	SBLYYHZLEQXVEB-TYDXBBDOSA-N	0	0	229.279	2.044	1	30		BEEFRN
C=C[C@H](OC(C)=O)c1ccccc1OC(C)=O	ZINC000028137994	188233747	/nfs/dbraw/zinc/23/37/47/188233747.db2.gz	VHPQXBWVICRDHD-LBPRGKRZSA-N	0	0	234.251	2.402	1	30		BEEFRN
C=C[C@]1(C)CC[C@@H](O)[C@@H]2C(=O)CCC[C@@H]21	ZINC000169342787	188251512	/nfs/dbraw/zinc/25/15/12/188251512.db2.gz	JAIWPWXWIFEPPE-ZBAXXZLZSA-N	0	0	208.301	2.319	1	30		BEEFRN
C=C[C@H]1C[C@H]2C=CCCO[P@@](=O)(O1)O2	ZINC000169340544	188252227	/nfs/dbraw/zinc/25/22/27/188252227.db2.gz	CASAIFONNIWXOE-QIBSRJKCSA-N	0	0	216.173	2.431	1	30		BEEFRN
CCc1nccn1-c1ccc(N=NC(C)C)nn1	ZINC000027709486	188283142	/nfs/dbraw/zinc/28/31/42/188283142.db2.gz	JACDMTQGDOGNFY-UHFFFAOYSA-N	0	0	244.302	2.032	1	30		BEEFRN
COC(/C=C/c1ccco1)=C1\C(=O)C=C(C)C1=O	ZINC000043544033	188295601	/nfs/dbraw/zinc/29/56/01/188295601.db2.gz	WXYDLDPRAKSESB-LHELVOSYSA-N	0	0	244.246	2.291	1	30		BEEFRN
CNc1ncc(C#Cc2cccc(C)c2)cn1	ZINC000040975634	188396705	/nfs/dbraw/zinc/39/67/05/188396705.db2.gz	CTIRMQCDZFOVQK-UHFFFAOYSA-N	0	0	223.279	2.227	1	30		BEEFRN
C=C1CCC[C@@]2(C)[C@H](O)[C@H]3OC(=O)C(C)=C3C[C@@H]12	ZINC000040380204	188396827	/nfs/dbraw/zinc/39/68/27/188396827.db2.gz	RVRGUBAZBPVMKB-RMRHIDDWSA-N	0	0	248.322	2.356	1	30		BEEFRN
N#Cc1ccc(-c2ccc3c(c2)CC(=O)N3)[nH]1	ZINC000029133657	181095045	/nfs/dbraw/zinc/09/50/45/181095045.db2.gz	TVDRXBFEEAXOTN-UHFFFAOYSA-N	0	0	223.235	2.048	1	30	in-vivo	BEEFRN
NC(=NNc1cccc(Cl)c1)c1cccnc1	ZINC000006018076	181179801	/nfs/dbraw/zinc/17/98/01/181179801.db2.gz	VXDGEEJMQLWOHB-UHFFFAOYSA-N	0	0	246.701	2.467	1	30		BEEFRN
NC(=S)N/N=C1/CCC[C@H]2CCCC[C@@H]12	ZINC000005924579	181317327	/nfs/dbraw/zinc/31/73/27/181317327.db2.gz	PUEIVNWGKGUUTI-CVFBAYSTSA-N	0	0	225.361	2.166	1	30		BEEFRN
O=C(/C=C/C=C/c1ccc(Cl)cc1)NO	ZINC000026495980	181834387	/nfs/dbraw/zinc/83/43/87/181834387.db2.gz	CMCCBRAFFWTYIH-ZPUQHVIOSA-N	0	0	223.659	2.415	1	30		BEEFRN
CCCC[C@H]1Oc2ccccc2N(O)C1=O	ZINC000032220493	132335067	/nfs/dbraw/zinc/33/50/67/132335067.db2.gz	GJHDKZXQOXNSJC-LLVKDONJSA-N	0	0	221.256	2.360	1	30		BEEFRN
C#CCN(C)[C@H](CF)Cc1ccccc1	ZINC000073138310	166160468	/nfs/dbraw/zinc/16/04/68/166160468.db2.gz	FPPVPPCQNSSPGJ-ZDUSSCGKSA-N	0	0	205.276	2.132	1	30		BEEFRN
C(=NNc1ccnc2ccccc21)c1ccncc1	ZINC000048307278	166230397	/nfs/dbraw/zinc/23/03/97/166230397.db2.gz	XZRAQBGQONHPEP-WQRHYEAKSA-N	0	0	248.289	2.498	1	30		BEEFRN
CC1=NC2=CCC3=C(C(=O)C=CC3)N2S1	ZINC000049013749	168132816	/nfs/dbraw/zinc/13/28/16/168132816.db2.gz	UGZGIWMUTJSDMP-NSHDSACASA-N	0	0	218.281	2.048	1	30		BEEFRN
CCNN(CCC#N)c1nc2ccccc2o1	ZINC000029467410	170132670	/nfs/dbraw/zinc/13/26/70/170132670.db2.gz	RICPBAGVDRCZMF-UHFFFAOYSA-N	0	0	230.271	2.072	1	30		BEEFRN
CCOC(=O)C/N=C\C(S)(CC)CC	ZINC000073389655	170188580	/nfs/dbraw/zinc/18/85/80/170188580.db2.gz	HRMZUEBZNGYZDK-FLIBITNWSA-N	0	0	217.334	2.109	1	30		BEEFRN
CCOC(=O)c1cc2oc(C)cc2n1CC#N	ZINC000001337880	170294491	/nfs/dbraw/zinc/29/44/91/170294491.db2.gz	HGCFGMJTBWYOIL-UHFFFAOYSA-N	0	0	232.239	2.243	1	30		BEEFRN
CCn1c2nc(C)ccc2c(Cl)c(C#N)c1=O	ZINC000026392049	172132478	/nfs/dbraw/zinc/13/24/78/172132478.db2.gz	XPWMOEXGDUSODD-UHFFFAOYSA-N	0	0	247.685	2.250	1	30		BEEFRN
COC1=CC(=O)c2c(c(C)c(C(C)C)n2C)C1=O	ZINC000026403721	174013513	/nfs/dbraw/zinc/01/35/13/174013513.db2.gz	YSYJFNVMHOMSQJ-UHFFFAOYSA-N	0	0	247.294	2.366	1	30		BEEFRN
COc1cc(OC)c(C#N)c2oc(C=O)c(C)c21	ZINC000096933630	175008010	/nfs/dbraw/zinc/00/80/10/175008010.db2.gz	XTSDXXBJAMILJR-UHFFFAOYSA-N	0	0	245.234	2.443	1	30		BEEFRN
COc1ccc(-n2cc(C#N)c(C)n2)cc1	ZINC000096938400	175043743	/nfs/dbraw/zinc/04/37/43/175043743.db2.gz	DOSGJISSAWVRKB-UHFFFAOYSA-N	0	0	213.240	2.061	1	30		BEEFRN
COc1cccc2sc(C(=O)NO)cc21	ZINC000096924291	175307910	/nfs/dbraw/zinc/30/79/10/175307910.db2.gz	HDSAWWRRSVJRDY-UHFFFAOYSA-N	0	0	223.253	2.029	1	30		BEEFRN
COc1nc(C)nc(/N=C(\C)c2cccs2)n1	ZINC000096932886	175390708	/nfs/dbraw/zinc/39/07/08/175390708.db2.gz	PXTPCUZAARLSET-KPKJPENVSA-N	0	0	248.311	2.391	1	30		BEEFRN
CCCC[C@@H]1Oc2ccccc2N(O)C1=O	ZINC000032220492	534959023	/nfs/dbraw/zinc/95/90/23/534959023.db2.gz	GJHDKZXQOXNSJC-NSHDSACASA-N	0	0	221.256	2.360	1	30		BEEFRN
CC(=O)C1=C[C@]23OC(=O)[C@H](C)[C@H]2CC[C@@H](C)[C@H]3C1	ZINC000095099162	560062635	/nfs/dbraw/zinc/06/26/35/560062635.db2.gz	VFLOLBPOQXTIRV-FRCJOOGCSA-N	0	0	248.322	2.500	1	30	biogenic,in-vitro	BEEFRN
CC(=O)C1=C[C@@]23OC(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@H]3C1	ZINC000095099161	560062666	/nfs/dbraw/zinc/06/26/66/560062666.db2.gz	VFLOLBPOQXTIRV-AIHFMBSQSA-N	0	0	248.322	2.500	1	30	biogenic,in-vitro	BEEFRN
C=C1CC=C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@H]12	ZINC000059588442	560082634	/nfs/dbraw/zinc/08/26/34/560082634.db2.gz	VMGUBSLDEXOUMH-DFBGVHRSSA-N	0	0	246.306	2.481	1	30	biogenic,in-vitro	BEEFRN
C=C1OC(=O)c2c(O)c(C)c(O)c(C=O)c2[C@H]1C	ZINC000014653244	560224008	/nfs/dbraw/zinc/22/40/08/560224008.db2.gz	MKXPEMIYFLKLRY-YFKPBYRVSA-N	0	0	248.234	2.006	1	30	biogenic,in-vitro	BEEFRN
C=C1C(=O)O[C@H]2C[C@@]3(C)[C@@H](O)CC=C(C)[C@@H]3C[C@@H]12	ZINC000014451972	571708034	/nfs/dbraw/zinc/70/80/34/571708034.db2.gz	SGRJYGRCAPBLSW-MJDBTJCESA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@H]2C[C@@]3(C)CC(=O)C[C@@H](C)C3=C[C@@H]12	ZINC000014452133	571708060	/nfs/dbraw/zinc/70/80/60/571708060.db2.gz	DSTJGYCTYZXZNH-NALMLWMLSA-N	0	0	246.306	2.420	1	30	endogenous,in-man	BEEFRN
C=C1CC[C@H]2C(=C)[C@H](O)C[C@@H]3[C@@H](OC(=O)[C@H]3C)[C@@H]12	ZINC000014453939	571708766	/nfs/dbraw/zinc/70/87/66/571708766.db2.gz	NMUKFBVCUMTQOB-ARFNZGECSA-N	0	0	248.322	2.067	1	30	endogenous,in-man	BEEFRN
CC1=CC(=O)C([C@@]2(C)CC(=O)CC2(C)C)=CC1=O	ZINC000085636619	574416731	/nfs/dbraw/zinc/41/67/31/574416731.db2.gz	ZDVNWZXSNSTHPK-OAHLLOKOSA-N	0	0	246.306	2.406	1	30	endogenous,in-man	BEEFRN
C=C(C)[C@@H]1Cc2c(cc(O)c3ccc(=O)oc23)O1	ZINC000026293590	187207412	/nfs/dbraw/zinc/20/74/12/187207412.db2.gz	ZKVAWHGWTAJAEK-NSHDSACASA-N	0	0	244.246	2.378	1	30	biogenic,in-vitro	BEEFRN
C=C(C)CNC(=S)NN=C1C[C@H]2CC=C[C@@H]12	ZINC000004978312	187248241	/nfs/dbraw/zinc/24/82/41/187248241.db2.gz	VZAATXKCIMGLGD-FHQJZVNASA-N	0	0	235.356	2.390	1	30		BEEFRN
N#Cc1ccc(C2=CN3CCC2CC3)o1	ZINC000013766617	187251213	/nfs/dbraw/zinc/25/12/13/187251213.db2.gz	VUCYYOGBXRCVIJ-UHFFFAOYSA-N	0	0	200.241	2.218	1	30		BEEFRN
C=CC[NH+]=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000013544753	187251259	/nfs/dbraw/zinc/25/12/59/187251259.db2.gz	QNCHZSXJQAIONJ-XNTDXEJSSA-N	0	0	241.294	2.491	1	30		BEEFRN
CCOC(=O)C#Cc1ccc(C(F)(F)F)cn1	ZINC000585143683	343878772	/nfs/dbraw/zinc/87/87/72/343878772.db2.gz	GMVGBLBAVOGEQJ-UHFFFAOYSA-N	0	0	243.184	2.015	2	30		BEEFRN
C(#Cc1ccc2ccccc2n1)Cn1cccn1	ZINC000585145259	343880548	/nfs/dbraw/zinc/88/05/48/343880548.db2.gz	JSAAGQJWBUCXCD-UHFFFAOYSA-N	0	0	233.274	2.483	2	30		BEEFRN
CC(C)(C)c1ccc(C#CCn2cccn2)nn1	ZINC000585145477	343881248	/nfs/dbraw/zinc/88/12/48/343881248.db2.gz	WULRGHBTRFSVJY-UHFFFAOYSA-N	0	0	240.310	2.022	2	30		BEEFRN
C=C1CC[C@H]2C(=C)CC[C@H]3[C@H](CO)C(=O)O[C@@H]3[C@@H]12	ZINC000039122211	187353913	/nfs/dbraw/zinc/35/39/13/187353913.db2.gz	JACOXIUOTHSYLC-PEDHHIEDSA-N	0	0	248.322	2.069	1	30		BEEFRN
C=C1CC=C[C@]2(C)C[C@]3(O)OC(=O)[C@@H](C)C3=C[C@@H]12	ZINC000049031863	187356373	/nfs/dbraw/zinc/35/63/73/187356373.db2.gz	BCKDXTZTXHTKQP-AZHAFVHUSA-N	0	0	246.306	2.337	1	30		BEEFRN
Cc1ccc(CNc2nc(C#N)cnc2C#N)cc1	ZINC000095594716	178641383	/nfs/dbraw/zinc/64/13/83/178641383.db2.gz	IYDQFEAXDTXRNL-UHFFFAOYSA-N	0	0	249.277	2.140	1	30		BEEFRN
CC=C1C(=O)c2ccccc2C(=O)C1OC	ZINC000103249805	187291602	/nfs/dbraw/zinc/29/16/02/187291602.db2.gz	GUPAHNZTWAOTOG-UHFFFAOYSA-N	0	0	216.236	2.376	1	30		BEEFRN
Cc1ccc([C@H](O)C2=CCCC2=O)cc1	ZINC000008689860	178911435	/nfs/dbraw/zinc/91/14/35/178911435.db2.gz	PBASHVZTIGPMSM-ZDUSSCGKSA-N	0	0	202.253	2.318	1	30		BEEFRN
C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)CC[C@@H]12	ZINC000032296455	290762292	/nfs/dbraw/zinc/76/22/92/290762292.db2.gz	STUGAIDUQVESQE-WJNVRWDZSA-N	0	0	248.322	2.356	1	30	biogenic,in-vitro	BEEFRN
C=C1C(=O)O[C@@H]2C[C@@]3(C)C=CC(=O)C(C)=C3C[C@H]12	ZINC000005766660	290762295	/nfs/dbraw/zinc/76/22/95/290762295.db2.gz	ONPJVBQNWRHOKG-WDBKCZKBSA-N	0	0	244.290	2.340	1	30	biogenic,in-vitro	BEEFRN
C=CC(=O)n1c2ccccc2n(C(=C)C)c1=O	ZINC000103206248	187363748	/nfs/dbraw/zinc/36/37/48/187363748.db2.gz	IIRGNZTYLRWCIA-UHFFFAOYSA-N	0	0	228.251	2.120	1	30		BEEFRN
C=C1C(=O)O[C@H]2C[C@H](C)[C@@H]3CC(=O)C(C)=C3C[C@@H]12	ZINC000006481618	187930137	/nfs/dbraw/zinc/93/01/37/187930137.db2.gz	UQNONRHPSCIIJO-BBPWNKPXSA-N	0	0	246.306	2.420	1	30		BEEFRN
C=C1C(=O)O[C@H](C)[C@@H]1c1ccc2c(c1)OCO2	ZINC000045246011	188044282	/nfs/dbraw/zinc/04/42/82/188044282.db2.gz	BAUKZMAKJLISOK-PRHODGIISA-N	0	0	232.235	2.000	1	30		BEEFRN
C=C[C@@H]1C[C@H]2C=CCO[P@@](=O)(O1)O2	ZINC000138859240	188050756	/nfs/dbraw/zinc/05/07/56/188050756.db2.gz	HEFHKSYPUAMSGC-RBDZCENOSA-N	0	0	202.146	2.041	1	30		BEEFRN
C#CC[N@H+]1CCC[C@H]2Cc3c(O)cccc3C[C@H]21	ZINC000012355925	188051831	/nfs/dbraw/zinc/05/18/31/188051831.db2.gz	LWAYUBPNHKMRNZ-DZGCQCFKSA-N	0	0	241.334	2.205	1	30		BEEFRN
C=CCn1cc(COc2ccccc2)nn1	ZINC000029127821	188233404	/nfs/dbraw/zinc/23/34/04/188233404.db2.gz	WQFJAMCVQCCRAY-UHFFFAOYSA-N	0	0	215.256	2.043	1	30		BEEFRN
C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@H](C)[C@@H]3C[C@H]12	ZINC000013585426	188280201	/nfs/dbraw/zinc/28/02/01/188280201.db2.gz	WFHQPKSRGIPWQY-JXBDRUCJSA-N	0	0	246.306	2.276	1	30		BEEFRN
CC(C)C[C@H](CS)NC(=O)c1cccnc1	ZINC000027708296	188283500	/nfs/dbraw/zinc/28/35/00/188283500.db2.gz	XRUZLNLDQKUXQV-LLVKDONJSA-N	0	0	238.356	2.156	1	30		BEEFRN
O=C(c1ccccc1[O-])C1=CCC[N@@H+]2CCC[C@@H]12	ZINC000049088993	188298852	/nfs/dbraw/zinc/29/88/52/188298852.db2.gz	HOBPPDCRYVOZBO-ZDUSSCGKSA-N	0	0	243.306	2.369	1	30		BEEFRN
C#CCNCc1coc(-c2ccc(OC)cc2)n1	ZINC000072183666	188307176	/nfs/dbraw/zinc/30/71/76/188307176.db2.gz	SUEVNKFZKWYDBH-UHFFFAOYSA-N	0	0	242.278	2.073	1	30		BEEFRN
N#CCn1nnc2c1cc1cccnc1c2Cl	ZINC000073220438	181052889	/nfs/dbraw/zinc/05/28/89/181052889.db2.gz	KZAFDEDOTRCZKP-UHFFFAOYSA-N	0	0	243.657	2.156	1	30		BEEFRN
N#Cc1cc(C#Cc2ccccn2)cc([N+](=O)[O-])c1	ZINC000071295741	181082877	/nfs/dbraw/zinc/08/28/77/181082877.db2.gz	SCEZDEAWHINYOD-UHFFFAOYSA-N	0	0	249.229	2.261	1	30		BEEFRN
N#Cc1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1	ZINC000066258782	181131138	/nfs/dbraw/zinc/13/11/38/181131138.db2.gz	HKAKNYQSJOLPPY-UHFFFAOYSA-N	0	0	247.257	2.462	1	30		BEEFRN
N#Cc1cnoc1-c1cccc(F)c1F	ZINC000072178041	181165632	/nfs/dbraw/zinc/16/56/32/181165632.db2.gz	MMVDATSNUGTRTI-UHFFFAOYSA-N	0	0	206.151	2.491	1	30		BEEFRN
N#Cc1nc(/C=C/c2cccs2)oc1N	ZINC000005844414	181167479	/nfs/dbraw/zinc/16/74/79/181167479.db2.gz	NTHGIGOBUZDYAA-ONEGZZNKSA-N	0	0	217.253	2.360	1	30		BEEFRN
NNC(=S)[C@]1(c2ccccn2)CCCS1	ZINC000026724763	181185381	/nfs/dbraw/zinc/18/53/81/181185381.db2.gz	YUQAJZPJJYBFIR-SNVBAGLBSA-N	0	0	239.369	2.006	1	30		BEEFRN
O=C(NO)C1c2ccccc2-c2ccccc21	ZINC000103251599	182279003	/nfs/dbraw/zinc/27/90/03/182279003.db2.gz	LEYJMVDNPXDXSO-UHFFFAOYSA-N	0	0	225.247	2.304	1	30		BEEFRN
CC(C)NC(=S)N/N=C/C=C/c1ccco1	ZINC000029127455	167092688	/nfs/dbraw/zinc/09/26/88/167092688.db2.gz	JENJCIIUCZWXPC-PPRDQHCASA-N	0	0	237.328	2.151	1	30		BEEFRN
C#CC(C)(C)Oc1ccc(CC(=O)OC)cc1	ZINC000103176112	166113547	/nfs/dbraw/zinc/11/35/47/166113547.db2.gz	MCMFRUJSEDTFGY-UHFFFAOYSA-N	0	0	232.279	2.193	1	30		BEEFRN
C(=NNc1ccnc2ccccc21)c1ccncc1	ZINC000045335194	166229964	/nfs/dbraw/zinc/22/99/64/166229964.db2.gz	XZRAQBGQONHPEP-WOJGMQOQSA-N	0	0	248.289	2.498	1	30		BEEFRN
C=CCNC(=O)C(C)(C)C1(O)CCCCC1	ZINC000040893240	166364139	/nfs/dbraw/zinc/36/41/39/166364139.db2.gz	WENJOFFSWLQCDZ-UHFFFAOYSA-N	0	0	225.332	2.010	1	30		BEEFRN
CC1=CC(=O)C([C@H]2C=CCCC2)=CC1=O	ZINC000100758372	168090927	/nfs/dbraw/zinc/09/09/27/168090927.db2.gz	ZZAHBAFDZZNNJA-JTQLQIEISA-N	0	0	202.253	2.367	1	30		BEEFRN
COc1cc(/C=C/C(C)=C/C(C)=O)oc(=O)c1	ZINC000072177786	174939997	/nfs/dbraw/zinc/93/99/97/174939997.db2.gz	LGJCELWOOPXKFE-HSKKLARCSA-N	0	0	234.251	2.197	1	30	in-vitro	BEEFRN
COc1ccc(/C=C/C=C2C(=O)C=CC2=O)cc1	ZINC000072124544	175047388	/nfs/dbraw/zinc/04/73/88/175047388.db2.gz	UYCMSVOKGVTEBP-NSCUHMNNSA-N	0	0	240.258	2.343	1	30		BEEFRN
COc1ccc(N=Cc2c(C)[nH][nH]c2=O)cc1	ZINC000101862421	175050112	/nfs/dbraw/zinc/05/01/12/175050112.db2.gz	FKZNTHWJQQTYTH-NTUHNPAUSA-N	0	0	231.255	2.183	1	30		BEEFRN
COc1ccc(C2=NO[C@@H](C#N)CC2)cc1OC	ZINC000040913891	175085441	/nfs/dbraw/zinc/08/54/41/175085441.db2.gz	AUISFCIZRVTIDY-SNVBAGLBSA-N	0	0	246.266	2.110	1	30		BEEFRN
COc1nc(C)nc(/N=C(\C)c2ccccc2)n1	ZINC000096932905	175390732	/nfs/dbraw/zinc/39/07/32/175390732.db2.gz	WWFFBNLGARHWJQ-NTEUORMPSA-N	0	0	242.282	2.329	1	30		BEEFRN
C=C1CC[C@H]2C(=C)C[C@@H](O)[C@@H]3[C@@H](C)C(=O)O[C@@H]3[C@@H]12	ZINC000085542082	560071447	/nfs/dbraw/zinc/07/14/47/560071447.db2.gz	MHUPGVCFEGYWMI-QTJJRWQNSA-N	0	0	248.322	2.067	1	30	biogenic,in-vitro	BEEFRN
C=C1CC[C@H]2C(=C)C[C@@H](O)[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12	ZINC000033829890	560088974	/nfs/dbraw/zinc/08/89/74/560088974.db2.gz	MHUPGVCFEGYWMI-WZBKEBKWSA-N	0	0	248.322	2.067	1	30	biogenic,in-vitro	BEEFRN
C=C1C(=O)O[C@H]2C[C@@]3(C)C(=C[C@@H]12)[C@H](C)CC[C@H]3O	ZINC000014452582	571708038	/nfs/dbraw/zinc/70/80/38/571708038.db2.gz	FRNIMDDQCZHAFA-XMFWTFJOSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
CC(=O)SCC[C@@H](S)CCCCC(N)=O	ZINC000032790979	571744332	/nfs/dbraw/zinc/74/43/32/571744332.db2.gz	WXCOTNFMLYTGPZ-VIFPVBQESA-N	0	0	249.401	2.000	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@@H]2C[C@]3(C)C[C@H](O)C[C@@H](C)C3=C[C@@H]12	ZINC000006175789	574412737	/nfs/dbraw/zinc/41/27/37/574412737.db2.gz	FZSKLHDEGWSLTB-NZPXZISSSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
C=C(C)[C@@H]1CCC2=C(C1)[C@@H](C)[C@H](O)[C@@H](O)C2	ZINC000100778882	574418824	/nfs/dbraw/zinc/41/88/24/574418824.db2.gz	XSCYYIVXGBKTOC-JYILRKAJSA-N	0	0	222.328	2.421	1	30	endogenous,in-man	BEEFRN
Cc1cc2c(c(C#N)c1C)NC(=O)CCC2=O	ZINC000005811001	178281672	/nfs/dbraw/zinc/28/16/72/178281672.db2.gz	XLABEKGAUKJTCL-UHFFFAOYSA-N	0	0	228.251	2.090	1	30		BEEFRN
CNC(=S)[C@@]1(c2cnccn2)CCCS1	ZINC000026725265	187254938	/nfs/dbraw/zinc/25/49/38/187254938.db2.gz	FPNFFUQLQGAGKB-JTQLQIEISA-N	0	0	239.369	2.157	1	30		BEEFRN
C#CCOc1ccc(/C=C/C(C)=O)cc1OC	ZINC000064549777	187274095	/nfs/dbraw/zinc/27/40/95/187274095.db2.gz	IYPDVGZTNAGQLE-AATRIKPKSA-N	0	0	230.263	2.309	1	30		BEEFRN
CC(C)[C@H](C)NC(=O)[C@@H](C#N)C(C)(C)C	ZINC000103179560	187291208	/nfs/dbraw/zinc/29/12/08/187291208.db2.gz	FYPOEIMSSSIZFZ-VHSXEESVSA-N	0	0	210.321	2.333	1	30		BEEFRN
C/C=C/C(=O)C[C@@H]1CC[C@@H](C)[C@@H](CCO)O1	ZINC000169340602	187302909	/nfs/dbraw/zinc/30/29/09/187302909.db2.gz	SKIHOAMJMCTWBD-VTMVGPOZSA-N	0	0	226.316	2.088	1	30		BEEFRN
C=C(C)[C@H]1Cc2cc(C(=O)OC)ccc2O1	ZINC000033830720	290762288	/nfs/dbraw/zinc/76/22/88/290762288.db2.gz	AMYPKJBHUVIYPY-GFCCVEGCSA-N	0	0	218.252	2.353	1	30	biogenic,in-vitro	BEEFRN
C=CCO[S@](=O)OC/C=C/SCC=C	ZINC000070455097	290763192	/nfs/dbraw/zinc/76/31/92/290763192.db2.gz	LTVQYCROEGCVCY-VZUFXWRPSA-N	0	0	234.342	2.217	1	30	biogenic,in-vitro	BEEFRN
C=C[C@@]1(C)CC[C@H](O)[C@H]2C(=O)CCC[C@@H]21	ZINC000008689845	188051536	/nfs/dbraw/zinc/05/15/36/188051536.db2.gz	JAIWPWXWIFEPPE-SYEHKZFSSA-N	0	0	208.301	2.319	1	30		BEEFRN
C=C[C@H](F)[C@H](Cc1ccccc1)NC(C)=O	ZINC000029544996	188233495	/nfs/dbraw/zinc/23/34/95/188233495.db2.gz	QHQWAOMVHWXWLR-STQMWFEESA-N	0	0	221.275	2.258	1	30		BEEFRN
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=O)[C@H]3C[C@@H]12	ZINC000025987079	188233713	/nfs/dbraw/zinc/23/37/13/188233713.db2.gz	FUJHTQQGDLWDFW-UZWIWUQPSA-N	0	0	234.295	2.254	1	30		BEEFRN
CC(C)[C@@H]1CC[C@@H](C)[C@]2(O)CC(=O)C=C12	ZINC000040979199	188256361	/nfs/dbraw/zinc/25/63/61/188256361.db2.gz	LSRLIQNNCDCOJG-SUZMYJTESA-N	0	0	208.301	2.319	1	30		BEEFRN
CC(Nc1ccccc1)=C1C(=O)COC1=O	ZINC000101938794	188322687	/nfs/dbraw/zinc/32/26/87/188322687.db2.gz	PREYBDRPZJNJIB-MDWZMJQESA-N	0	0	217.224	2.148	1	30		BEEFRN
N#Cc1cc(C(=O)C2CC2)n2ccccc12	ZINC000053294793	181082628	/nfs/dbraw/zinc/08/26/28/181082628.db2.gz	GNGBLZVYGJGVLY-UHFFFAOYSA-N	0	0	210.236	2.404	1	30		BEEFRN
N#Cc1cc(C#N)c(N2CCCC2)nc1Cl	ZINC000058576310	181082928	/nfs/dbraw/zinc/08/29/28/181082928.db2.gz	WMQKQIANCLIHOB-UHFFFAOYSA-N	0	0	232.674	2.079	1	30		BEEFRN
N#Cc1ccc(C(=O)C=C(N)C(F)(F)F)cc1	ZINC000103208041	181096575	/nfs/dbraw/zinc/09/65/75/181096575.db2.gz	SSLBNNYGLVCOJK-YHYXMXQVSA-N	0	0	240.184	2.146	1	30		BEEFRN
N#Cc1ccc(NC(=O)Nc2nncs2)cc1	ZINC000001871657	181118291	/nfs/dbraw/zinc/11/82/91/181118291.db2.gz	NXIWWRVSHKJEIW-UHFFFAOYSA-N	0	0	245.267	2.054	1	30		BEEFRN
N#Cc1ccccc1/C=C/c1ccnc(N)n1	ZINC000058494253	181144169	/nfs/dbraw/zinc/14/41/69/181144169.db2.gz	VDZDQVMLKIOOSG-AATRIKPKSA-N	0	0	222.251	2.101	1	30		BEEFRN
NC(=O)[C@@]1(c2ccccc2)O[C@@H]1c1ccccc1	ZINC000005488616	181276699	/nfs/dbraw/zinc/27/66/99/181276699.db2.gz	WMXYUOSHVXGIIN-HIFRSBDPSA-N	0	0	239.274	2.139	3	30		BEEFRN
O=C(/C=C/c1ccccc1)/C=C/N1CCOCC1	ZINC000028635060	181839209	/nfs/dbraw/zinc/83/92/09/181839209.db2.gz	NKZLOANARKJCOK-BLHCBFLLSA-N	0	0	243.306	2.115	1	30		BEEFRN
Oc1ccc(/C=N/Cc2cccnc2)cc1	ZINC000098084341	183265752	/nfs/dbraw/zinc/26/57/52/183265752.db2.gz	RPJDUMWATYTIOM-OVCLIPMQSA-N	0	0	212.252	2.406	1	30		BEEFRN
CC1=C(/C=N/N(C)C(N)=S)C(C)(C)CC=C1	ZINC000169326896	168074655	/nfs/dbraw/zinc/07/46/55/168074655.db2.gz	IBGXTLBOICNVBW-RIYZIHGNSA-N	0	0	237.372	2.450	1	30		BEEFRN
CC1=CC(=O)C([C@@]2(C)CCC(=O)C2(C)C)=CC1=O	ZINC000042834858	168090730	/nfs/dbraw/zinc/09/07/30/168090730.db2.gz	FZLVOEBHJNRBTE-OAHLLOKOSA-N	0	0	246.306	2.406	1	30		BEEFRN
CN1CCC/C1=N\C(=O)Nc1ccccc1	ZINC000033956571	173001915	/nfs/dbraw/zinc/00/19/15/173001915.db2.gz	KJMVNLKAOWEYRF-SDNWHVSQSA-N	0	0	217.272	2.343	1	30		BEEFRN
CSc1cc(-c2ccco2)oc(=O)c1C#N	ZINC000026851753	175571877	/nfs/dbraw/zinc/57/18/77/175571877.db2.gz	MJJFTHLSJNUIKA-UHFFFAOYSA-N	0	0	233.248	2.493	1	30		BEEFRN
CC(=O)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C	ZINC000014587638	560222630	/nfs/dbraw/zinc/22/26/30/560222630.db2.gz	FDSNVAKZRJLMJN-WTIVYXKASA-N	0	0	208.301	2.485	1	30	biogenic,in-vitro	BEEFRN
C=C1C(=O)O[C@@H]2C=C(C)[C@H]3CC[C@@](C)(O)[C@@H]3C[C@H]12	ZINC000014453861	571708785	/nfs/dbraw/zinc/70/87/85/571708785.db2.gz	APMKESKZWHNIDJ-FTQJZPFOSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
COc1cc2oc(=O)ccc2cc1/C=C/C(C)=O	ZINC000014718280	571721581	/nfs/dbraw/zinc/72/15/81/571721581.db2.gz	GSVYFPMXLIFUDJ-ONEGZZNKSA-N	0	0	244.246	2.404	1	30	endogenous,in-man	BEEFRN
CC#CC#CC#C/C=C/C=C/CCCOC(C)=O	ZINC000014722233	571722081	/nfs/dbraw/zinc/72/20/81/571722081.db2.gz	CWMYRIMGSBQMJG-HULFFUFUSA-N	0	0	240.302	2.472	1	30	endogenous,in-man	BEEFRN
CC(=O)C1=C[C@]2(C)[C@@H](C1)CC[C@H](O)[C@H]2C	ZINC000015200412	571734670	/nfs/dbraw/zinc/73/46/70/571734670.db2.gz	GBUDXEBRIWMUIF-KMLBCRHOSA-N	0	0	208.301	2.319	1	30	endogenous,in-man	BEEFRN
CC1=CC(=O)[C@H]2[C@H]1[C@@H]1OC(=O)[C@H](C)[C@H]1CC[C@H]2C	ZINC000100781755	571836151	/nfs/dbraw/zinc/83/61/51/571836151.db2.gz	FJKWKEZAHVWIOR-YZSHRXGLSA-N	0	0	248.322	2.355	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@@H]2C[C@]3(C)[C@H](O)CC=C(C)[C@H]3C[C@@H]12	ZINC000085849755	574416809	/nfs/dbraw/zinc/41/68/09/574416809.db2.gz	SGRJYGRCAPBLSW-BGPZULBFSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
C=C(C)[C@@H]1CCC2=C(C1)[C@H](C)[C@H](O)[C@@H](O)C2	ZINC000100778880	574418826	/nfs/dbraw/zinc/41/88/26/574418826.db2.gz	XSCYYIVXGBKTOC-DJBIQUGXSA-N	0	0	222.328	2.421	1	30	endogenous,in-man	BEEFRN
C[N+]1([C@H](Cc2ccccc2)C(=O)[O-])CCCCC1	ZINC000140498183	717152059	/nfs/dbraw/zinc/15/20/59/717152059.db2.gz	XWYOBEJXLCHPPJ-CQSZACIVSA-O	0	0	248.346	2.313	1	30		BEEFRN
CCC(CC)N=C(NC#N)Nc1ccncc1	ZINC000013232578	168332569	/nfs/dbraw/zinc/33/25/69/168332569.db2.gz	VGHPQIPBJLTPBL-UHFFFAOYSA-N	0	0	231.303	2.109	1	30		BEEFRN
C/C=C/[C@]1(C)/C(=N\O)[C@@](C)(CCC)C(=O)N1O	ZINC000005497196	187247542	/nfs/dbraw/zinc/24/75/42/187247542.db2.gz	DJKXSIULBUPHMY-DDBYLIKDSA-N	0	0	240.303	2.189	1	30		BEEFRN
CC(=O)N[C@H]1CC(C)(C)Oc2ccc(C#N)cc21	ZINC000026637269	187254669	/nfs/dbraw/zinc/25/46/69/187254669.db2.gz	RMOZAWHVULFTLB-LBPRGKRZSA-N	0	0	244.294	2.297	1	30		BEEFRN
C=C/C=C1\C=C(C)C2(CC2)[C@@](C)(O)C1=O	ZINC000025980742	187255314	/nfs/dbraw/zinc/25/53/14/187255314.db2.gz	AVNTUXBWVZOFGI-DJTWPOEFSA-N	0	0	204.269	2.159	1	30		BEEFRN
COc1cccc(NC(=O)/N=C2\CCCN2C)c1	ZINC000033956573	187257395	/nfs/dbraw/zinc/25/73/95/187257395.db2.gz	BVPKBYWSGUFDLG-NTCAYCPXSA-N	0	0	247.298	2.351	1	30		BEEFRN
C(#Cc1ccc2ncccc2c1)Cn1ccnc1	ZINC000585145368	343880564	/nfs/dbraw/zinc/88/05/64/343880564.db2.gz	PIETVKOOAYCVMK-UHFFFAOYSA-N	0	0	233.274	2.483	2	30		BEEFRN
C=C1C(=O)O[C@H]2C=C(C)[C@H]3CC[C@](C)(O)[C@@H]3C[C@H]12	ZINC000049803174	187356999	/nfs/dbraw/zinc/35/69/99/187356999.db2.gz	APMKESKZWHNIDJ-NTASLKFISA-N	0	0	248.322	2.211	1	30		BEEFRN
CCON=CNc1ccccc1OCC	ZINC000103184681	187291568	/nfs/dbraw/zinc/29/15/68/187291568.db2.gz	JQSFIWVUUIZGRM-UHFFFAOYSA-N	0	0	208.261	2.477	1	30		BEEFRN
C=C1CO[C@H]2c3cc(C(C)=O)c(OC)cc3O[C@@H]12	ZINC000014659908	290762835	/nfs/dbraw/zinc/76/28/35/290762835.db2.gz	JDRMNXSWKDYTKA-KBPBESRZSA-N	0	0	246.262	2.286	1	30	biogenic,in-vitro	BEEFRN
C=NN(CCC#N)c1nc2ccccc2o1	ZINC000029415478	187593120	/nfs/dbraw/zinc/59/31/20/187593120.db2.gz	OUIXQDWXUUNNTP-UHFFFAOYSA-N	0	0	214.228	2.163	1	30		BEEFRN
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CCC(=O)[C@@H](C)[C@H]21	ZINC000038676435	187664193	/nfs/dbraw/zinc/66/41/93/187664193.db2.gz	HFWRIXCZNNWIBA-OLNSGIQNSA-N	0	0	248.322	2.500	1	30		BEEFRN
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=O)[C@@H]3C[C@@H]12	ZINC000025987063	187884600	/nfs/dbraw/zinc/88/46/00/187884600.db2.gz	FUJHTQQGDLWDFW-BQSGVUBFSA-N	0	0	234.295	2.254	1	30		BEEFRN
Cc1cccc(C#CCOc2cccnc2)n1	ZINC000040567317	188042577	/nfs/dbraw/zinc/04/25/77/188042577.db2.gz	HVULWAKNHNMTTA-UHFFFAOYSA-N	0	0	224.263	2.216	1	30		BEEFRN
C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@@]3(O)CO)C2(C)C	ZINC000040881254	188043337	/nfs/dbraw/zinc/04/33/37/188043337.db2.gz	MVEDSOVUKKEZAJ-KMCWBVRRSA-N	0	0	236.355	2.358	1	30		BEEFRN
N#Cc1cccc(-c2cc(-n3ccnc3)ncn2)c1	ZINC000004239474	188276890	/nfs/dbraw/zinc/27/68/90/188276890.db2.gz	KEKUABVFRALINE-UHFFFAOYSA-N	0	0	247.261	2.201	1	30		BEEFRN
C=C1C(=O)C[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12	ZINC000038998802	188290683	/nfs/dbraw/zinc/29/06/83/188290683.db2.gz	KNQLJJDOGQIMMT-IMIFBBOLSA-N	0	0	244.290	2.196	1	30		BEEFRN
C=C(C)C(=O)[C@H]1CC(=O)C2=CC(=O)C[C@H](C)[C@]21C	ZINC000042835512	188294603	/nfs/dbraw/zinc/29/46/03/188294603.db2.gz	AANAFIMHXPMIFQ-TURKWSHLSA-N	0	0	246.306	2.262	1	30		BEEFRN
CCCCOc1ccc([C@H](C)C(=O)NO)cc1	ZINC000169304747	188337819	/nfs/dbraw/zinc/33/78/19/188337819.db2.gz	LSBPVXOUGZCVRQ-JTQLQIEISA-N	0	0	237.299	2.474	1	30		BEEFRN
N#CCc1cccc(C#Cc2csc(N)n2)c1	ZINC000066104350	181048807	/nfs/dbraw/zinc/04/88/07/181048807.db2.gz	BEFJIINYTVCWBW-UHFFFAOYSA-N	0	0	239.303	2.191	1	30		BEEFRN
N#Cc1ccc(-c2cc3n(n2)CCCC3)nc1	ZINC000096911187	181095259	/nfs/dbraw/zinc/09/52/59/181095259.db2.gz	KDUYYHRYRNFDGJ-UHFFFAOYSA-N	0	0	224.267	2.153	1	30		BEEFRN
N#Cc1cccc(/C=C/c2ccnc(N)n2)c1	ZINC000058591485	181134675	/nfs/dbraw/zinc/13/46/75/181134675.db2.gz	AOAOBNWIOKLMKL-SNAWJCMRSA-N	0	0	222.251	2.101	1	30		BEEFRN
N#Cc1nc2cc(Cl)ccc2c(=O)s1	ZINC000026394791	181169156	/nfs/dbraw/zinc/16/91/56/181169156.db2.gz	RXWCPWUGUSCVPL-UHFFFAOYSA-N	0	0	222.656	2.182	1	30		BEEFRN
N/N=C/Cc1ccc(C(F)(F)F)cc1	ZINC000103206669	181185703	/nfs/dbraw/zinc/18/57/03/181185703.db2.gz	DLSDXEIVWRWPBC-MKMNVTDBSA-N	0	0	202.179	2.192	1	30		BEEFRN
N/N=C/Cc1cccc(C(F)(F)F)c1	ZINC000103206658	181185713	/nfs/dbraw/zinc/18/57/13/181185713.db2.gz	IDFBXUPSMLAFHI-LHHJGKSTSA-N	0	0	202.179	2.192	1	30		BEEFRN
O=C(NO)c1cc(O)ccc1Oc1ccccc1	ZINC000045497964	182280404	/nfs/dbraw/zinc/28/04/04/182280404.db2.gz	BDWDBCBYQDZEOG-UHFFFAOYSA-N	0	0	245.234	2.304	1	30		BEEFRN
CCCNC1=C(C)C(=O)c2ccccc2C1=O	ZINC000034181956	169255688	/nfs/dbraw/zinc/25/56/88/169255688.db2.gz	CQLKQCKGIGBTKE-UHFFFAOYSA-N	0	0	229.279	2.339	1	30		BEEFRN
C#C[C@@H]1[C@H]2O[C@H]2c2ccccc2N1C(=O)OCC	ZINC000026277804	533276412	/nfs/dbraw/zinc/27/64/12/533276412.db2.gz	JHQRMRBQIJWSGA-KGYLQXTDSA-N	0	0	243.262	2.105	1	30		BEEFRN
O=C1COc2c(Cl)cc(Cl)cc2N1O	ZINC000035079154	132312387	/nfs/dbraw/zinc/31/23/87/132312387.db2.gz	PKKVXWRORYRCKE-UHFFFAOYSA-N	0	0	234.038	2.108	1	30		BEEFRN
C#CCC#CCN/N=C/Cc1cccc(C)c1	ZINC000040977458	166113149	/nfs/dbraw/zinc/11/31/49/166113149.db2.gz	DXPRGIYYPPPCOP-SFQUDFHCSA-N	0	0	224.307	2.140	1	30		BEEFRN
C#CCC#CCN/N=C/Cc1ccccc1C	ZINC000040980865	166113417	/nfs/dbraw/zinc/11/34/17/166113417.db2.gz	BRYSRQAZDIZKGI-GHRIWEEISA-N	0	0	224.307	2.140	1	30		BEEFRN
C(#Cc1cnc2c(c1)CCN2)c1ccccc1	ZINC000066074435	166225437	/nfs/dbraw/zinc/22/54/37/166225437.db2.gz	XKYNWQQXPNSPBP-UHFFFAOYSA-N	0	0	220.275	2.449	1	30		BEEFRN
C(#Cc1ccccc1)c1nnn2c1CCCC2	ZINC000096908062	166225995	/nfs/dbraw/zinc/22/59/95/166225995.db2.gz	SNJLQCDDCGDYPV-UHFFFAOYSA-N	0	0	223.279	2.014	1	30		BEEFRN
CC1=CC(=O)CC[C@]2(C)[C@@H]1CC[C@@H]2OC=O	ZINC000005757609	168091614	/nfs/dbraw/zinc/09/16/14/168091614.db2.gz	GNWMWSKEAPGFAI-FRRDWIJNSA-N	0	0	222.284	2.254	1	30		BEEFRN
CCO/C(C)=N/Oc1cc(OC)cc(OC)c1	ZINC000169302822	170179171	/nfs/dbraw/zinc/17/91/71/170179171.db2.gz	IJXFGQAVXZWZIW-UKTHLTGXSA-N	0	0	239.271	2.453	3	30		BEEFRN
CN1CCc2cc(C#Cc3ccccc3)cnc21	ZINC000066098327	173169406	/nfs/dbraw/zinc/16/94/06/173169406.db2.gz	RTSSGJFEKPAXIB-UHFFFAOYSA-N	0	0	234.302	2.474	1	30		BEEFRN
COC1=CC(=O)O[C@@H](c2cccc(C#N)c2)C1	ZINC000036373453	174013439	/nfs/dbraw/zinc/01/34/39/174013439.db2.gz	GHMBGJLLTRBFDW-GFCCVEGCSA-N	0	0	229.235	2.077	3	30		BEEFRN
CC1=CC[C@]23O[C@@]2(C)CC[C@H]2[C@@H](C)C(=O)O[C@H]2[C@@H]13	ZINC000070457421	560047028	/nfs/dbraw/zinc/04/70/28/560047028.db2.gz	CBRKCJOSZHRKFH-CLMGUBIUSA-N	0	0	248.322	2.452	1	30	biogenic,in-vitro	BEEFRN
C=C1C(=O)O[C@@H]2[C@H]3[C@](C)(C=O)CC[C@]3(C)CC[C@@H]12	ZINC000095915069	560055175	/nfs/dbraw/zinc/05/51/75/560055175.db2.gz	OOHSZMHOXQXINH-QIRZIZBZSA-N	0	0	248.322	2.500	1	30	biogenic,in-vitro	BEEFRN
C[C@H]1CC(=O)N2CCCC3=C(CC2)[C@@H](CC3=O)C1	ZINC000095914320	560055950	/nfs/dbraw/zinc/05/59/50/560055950.db2.gz	WFIQJTRPTAQLJG-GHMZBOCLSA-N	0	0	247.338	2.314	1	30	biogenic,in-vitro	BEEFRN
C=C1C(=O)OC[C@H]1COC(=O)CCCC(C)C	ZINC000005962565	560203939	/nfs/dbraw/zinc/20/39/39/560203939.db2.gz	MATCXQMBPPFUJB-LLVKDONJSA-N	0	0	240.299	2.085	1	30	in-vitro	BEEFRN
C=C1C(=O)O[C@H]2C[C@]3(C)C[C@@H](O)C[C@@H](C)C3=C[C@@H]12	ZINC000014452129	571708111	/nfs/dbraw/zinc/70/81/11/571708111.db2.gz	FZSKLHDEGWSLTB-HRULWKHZSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@@H]2C=C(C)[C@H]3CC[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000014453859	571708652	/nfs/dbraw/zinc/70/86/52/571708652.db2.gz	APMKESKZWHNIDJ-WPLOAARJSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
CC1=CC(=O)C([C@]2(C)CC(=O)CC2(C)C)=CC1=O	ZINC000095619391	574417079	/nfs/dbraw/zinc/41/70/79/574417079.db2.gz	ZDVNWZXSNSTHPK-HNNXBMFYSA-N	0	0	246.306	2.406	1	30	endogenous,in-man	BEEFRN
C=C(C)[C@@H]1CCC2=C(C1)[C@@H](C)[C@@H](O)[C@@H](O)C2	ZINC000100778879	574418825	/nfs/dbraw/zinc/41/88/25/574418825.db2.gz	XSCYYIVXGBKTOC-XYHOJCAOSA-N	0	0	222.328	2.421	1	30	endogenous,in-man	BEEFRN
Cc1cc2nc3ccc(C#N)cn3c(=O)c2s1	ZINC000027562548	178303766	/nfs/dbraw/zinc/30/37/66/178303766.db2.gz	KYKJIYDMBLFNDE-UHFFFAOYSA-N	0	0	241.275	2.089	1	30		BEEFRN
C=C1C(=O)O[C@H]2C[C@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]12	ZINC000169366158	187227399	/nfs/dbraw/zinc/22/73/99/187227399.db2.gz	HQZRHGHRYBWKFN-ZZVJUGKHSA-N	0	0	248.322	2.453	1	30		BEEFRN
CC(C)(CCCC#CCn1ccnc1)C(=O)[O-]	ZINC000036242049	187248931	/nfs/dbraw/zinc/24/89/31/187248931.db2.gz	SJMNXTTWYMDEOO-UHFFFAOYSA-N	0	0	234.299	2.168	1	30		BEEFRN
CC(=O)/C=C1/C(=O)Nc2ccc(Cl)cc21	ZINC000071341891	187275409	/nfs/dbraw/zinc/27/54/09/187275409.db2.gz	NGBDRYCUEWUGNM-RUDMXATFSA-N	0	0	221.643	2.265	1	30		BEEFRN
C(#Cc1cccc2ncccc12)Cn1cccn1	ZINC000585144932	343880030	/nfs/dbraw/zinc/88/00/30/343880030.db2.gz	ANSUIPIDMDGDLK-UHFFFAOYSA-N	0	0	233.274	2.483	2	30		BEEFRN
CC(=O)c1ccc(C#CCn2ccnc2)cc1	ZINC000585145376	343880397	/nfs/dbraw/zinc/88/03/97/343880397.db2.gz	PTHLROGRRWXUNT-UHFFFAOYSA-N	0	0	224.263	2.137	2	30		BEEFRN
C(#Cc1ccc2ccccc2n1)Cn1ccnc1	ZINC000585145350	343880543	/nfs/dbraw/zinc/88/05/43/343880543.db2.gz	OTRURPOTBLZSLZ-UHFFFAOYSA-N	0	0	233.274	2.483	2	30		BEEFRN
Cc1csc(C#Cc2cccnc2)n1	ZINC000095602110	187287597	/nfs/dbraw/zinc/28/75/97/187287597.db2.gz	ZTOHOXCKSPKZEM-UHFFFAOYSA-N	0	0	200.266	2.246	1	30		BEEFRN
CCOC(=O)C#Cc1cc(C(F)(F)F)ccn1	ZINC000585143800	344177888	/nfs/dbraw/zinc/17/78/88/344177888.db2.gz	NLQAUZCJWJOXFB-UHFFFAOYSA-N	0	0	243.184	2.015	2	30		BEEFRN
C(#Cc1cncc2ccccc12)Cn1cccn1	ZINC000585145273	344180377	/nfs/dbraw/zinc/18/03/77/344180377.db2.gz	KLQSOQXXHXFMIN-UHFFFAOYSA-N	0	0	233.274	2.483	2	30		BEEFRN
Cc1ccc([C@@H](O)C2=CCCC2=O)cc1	ZINC000008689861	178863121	/nfs/dbraw/zinc/86/31/21/178863121.db2.gz	PBASHVZTIGPMSM-CYBMUJFWSA-N	0	0	202.253	2.318	1	30		BEEFRN
C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1CC[C@@](C)(O)[C@@H]12	ZINC000095562501	187362113	/nfs/dbraw/zinc/36/21/13/187362113.db2.gz	QRVGCXGOIPXKQE-MJDBTJCESA-N	0	0	248.322	2.211	1	30		BEEFRN
C=C1c2c(nc[nH]c2=O)O[C@]1(C)c1ccccc1	ZINC000103252083	187363800	/nfs/dbraw/zinc/36/38/00/187363800.db2.gz	QMJQWHWUYZMRIW-AWEZNQCLSA-N	0	0	240.262	2.091	1	30		BEEFRN
C=C(C)[C@H]1Cc2c(cc(OC)c(C(C)=O)c2O)O1	ZINC000014685394	187364020	/nfs/dbraw/zinc/36/40/20/187364020.db2.gz	DCPNTPRATXCEIF-SNVBAGLBSA-N	0	0	248.278	2.483	1	30		BEEFRN
CC(C)NC(=O)[C@@]1(C#N)C=C1c1ccccc1	ZINC000095566845	187627569	/nfs/dbraw/zinc/62/75/69/187627569.db2.gz	UHLWIKMYDZLPCJ-CQSZACIVSA-N	0	0	226.279	2.118	3	30		BEEFRN
C=C[C@H]1CCC[C@@H]([C@H]2COC(C)(C)O2)O1	ZINC000028886063	187884997	/nfs/dbraw/zinc/88/49/97/187884997.db2.gz	PMLXWXDVCRDUOD-GARJFASQSA-N	0	0	212.289	2.262	1	30		BEEFRN
C=C[C@@]1(C)CC[C@@H](O)[C@H]2C(=O)CCC[C@@H]21	ZINC000066124101	188050835	/nfs/dbraw/zinc/05/08/35/188050835.db2.gz	JAIWPWXWIFEPPE-SQNXGDPESA-N	0	0	208.301	2.319	1	30		BEEFRN
C=CCc1c2c(c(OC)cc1OC)OCO2	ZINC000014680044	188254020	/nfs/dbraw/zinc/25/40/20/188254020.db2.gz	BTUCTWLEHBWHDN-UHFFFAOYSA-N	0	0	222.240	2.161	1	30		BEEFRN
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(N)=S)C2	ZINC000001055333	188273004	/nfs/dbraw/zinc/27/30/04/188273004.db2.gz	HFTWOMIQZXSECJ-OHLIMIBESA-N	0	0	225.361	2.022	2	30		BEEFRN
N#Cc1c(=O)[nH]cc2c1Nc1ccccc1S2	ZINC000027983072	181079157	/nfs/dbraw/zinc/07/91/57/181079157.db2.gz	YZHOURKFOANANE-UHFFFAOYSA-N	0	0	241.275	2.455	1	30		BEEFRN
NC(=O)[C@@]1(c2ccccc2)O[C@H]1c1ccccc1	ZINC000005489995	181276616	/nfs/dbraw/zinc/27/66/16/181276616.db2.gz	WMXYUOSHVXGIIN-ZFWWWQNUSA-N	0	0	239.274	2.139	3	30		BEEFRN
NC(=O)[C@]1(c2ccccc2)O[C@@H]1c1ccccc1	ZINC000005488699	181285848	/nfs/dbraw/zinc/28/58/48/181285848.db2.gz	WMXYUOSHVXGIIN-UKRRQHHQSA-N	0	0	239.274	2.139	3	30		BEEFRN
O=C(NC1CCC1)c1ccc(C#CC2CC2)cn1	ZINC000169304945	182106920	/nfs/dbraw/zinc/10/69/20/182106920.db2.gz	GAGAPXLUCSJVRL-UHFFFAOYSA-N	0	0	240.306	2.125	3	30		BEEFRN
O=C(NO)c1cccc(CNc2ccccc2)c1	ZINC000096906303	182280789	/nfs/dbraw/zinc/28/07/89/182280789.db2.gz	VDWLMDMXGUDBPR-UHFFFAOYSA-N	0	0	242.278	2.418	1	30		BEEFRN
O=C1CCOc2nc(C#Cc3ccccc3)ccc21	ZINC000066066200	182744523	/nfs/dbraw/zinc/74/45/23/182744523.db2.gz	PTFPDJNGFQEXOG-UHFFFAOYSA-N	0	0	249.269	2.447	1	30		BEEFRN
O=C1Nc2ccccc2C1C=NC[C@H]1CCCO1	ZINC000102912552	183253255	/nfs/dbraw/zinc/25/32/55/183253255.db2.gz	HVUMUHGVTMSUHS-XBDQXEDDSA-N	0	0	244.294	2.471	1	30		BEEFRN
Oc1ccc(C=NNc2ccccc2)c(O)c1O	ZINC000026269870	183266489	/nfs/dbraw/zinc/26/64/89/183266489.db2.gz	APXQLDWGNTVUKK-RIYZIHGNSA-N	0	0	244.250	2.249	1	30		BEEFRN
CCCN1CCO[C@@H](c2cc(O)cc(C#N)c2)C1	ZINC000028957427	169205009	/nfs/dbraw/zinc/20/50/09/169205009.db2.gz	JQYNCOPZIHLBIW-CQSZACIVSA-N	0	0	246.310	2.047	1	30		BEEFRN
C#CCC#CCN=NCCc1ccc(Cl)cc1	ZINC000040836458	166113483	/nfs/dbraw/zinc/11/34/83/166113483.db2.gz	SYASFDVJJMXELR-SFQUDFHCSA-N	0	0	244.725	2.485	1	30		BEEFRN
C(#Cc1ccncc1)c1n[nH]c2ccccc12	ZINC000066263693	166225642	/nfs/dbraw/zinc/22/56/42/166225642.db2.gz	SHPLHKPOBQVQPG-UHFFFAOYSA-N	0	0	219.247	2.358	1	30		BEEFRN
C(#Cc1ccc2c(n1)OCCN2)c1ccccc1	ZINC000066080189	166225977	/nfs/dbraw/zinc/22/59/77/166225977.db2.gz	YNDZEMICBJAWPH-UHFFFAOYSA-N	0	0	236.274	2.286	1	30		BEEFRN
C#Cc1nc(-c2ccc(F)cc2)cn1C#C	ZINC000072176212	166226157	/nfs/dbraw/zinc/22/61/57/166226157.db2.gz	BNFIOGIAWFHZCZ-UHFFFAOYSA-N	0	0	210.211	2.109	1	30		BEEFRN
C=CCNC(=O)C(C)(C)[C@@H](O)c1ccccc1	ZINC000040896613	166363020	/nfs/dbraw/zinc/36/30/20/166363020.db2.gz	WQYNORCOKOITJE-LBPRGKRZSA-N	0	0	233.311	2.048	1	30		BEEFRN
CC1=CC(=O)C2=C(C)C[C@@H]3OC(=O)C(C)=C3C=C12	ZINC000014619521	168091766	/nfs/dbraw/zinc/09/17/66/168091766.db2.gz	BAHMQESJBKGPTE-ZDUSSCGKSA-N	0	0	242.274	2.404	1	30	biogenic,in-vitro	BEEFRN
CCOC(=O)C1=Cc2cc(C)ccc2CC1=O	ZINC000027198441	170192054	/nfs/dbraw/zinc/19/20/54/170192054.db2.gz	VAQWBPQISHYODG-UHFFFAOYSA-N	0	0	230.263	2.067	1	30		BEEFRN
COc1ccc(C2=NO[C@@H](C#N)CC2)cc1	ZINC000040835173	175085575	/nfs/dbraw/zinc/08/55/75/175085575.db2.gz	LTJGAHKPVKSXHV-LLVKDONJSA-N	0	0	216.240	2.102	1	30		BEEFRN
COc1ccc(OC)c2c1C(=O)C=C(C)C2=O	ZINC000084925573	175170096	/nfs/dbraw/zinc/17/00/96/175170096.db2.gz	LQTITSAGIIHACG-UHFFFAOYSA-N	0	0	232.235	2.029	1	30		BEEFRN
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C=CC(=O)[C@@H](C)[C@H]21	ZINC000082158096	176047082	/nfs/dbraw/zinc/04/70/82/176047082.db2.gz	QKFUYQHESIDKSK-KHYORFNHSA-N	0	0	248.322	2.355	1	30		BEEFRN
C[C@H]1O[P@](=O)(Oc2ccccc2)C[C@@H]2O[C@@H]21	ZINC000013661054	177410858	/nfs/dbraw/zinc/41/08/58/177410858.db2.gz	URLVRBIMTDNVSW-XRIZKGSSSA-N	0	0	240.195	2.445	3	30		BEEFRN
C[C@H]1O[P@@](=O)(Oc2ccccc2)C[C@@H]2O[C@@H]21	ZINC000013661051	177411042	/nfs/dbraw/zinc/41/10/42/177411042.db2.gz	URLVRBIMTDNVSW-NXLFSVNTSA-N	0	0	240.195	2.445	3	30		BEEFRN
C[C@]12CC[C@H](O)C[C@]1(C=O)CC=C1CC[C@H]12	ZINC000027560596	177484066	/nfs/dbraw/zinc/48/40/66/177484066.db2.gz	OXLGUMPVPZLFKY-DGAVXFQQSA-N	0	0	220.312	2.463	1	30		BEEFRN
CCCCC(=O)ON1C(=O)COc2ccccc21	ZINC000035075861	534956850	/nfs/dbraw/zinc/95/68/50/534956850.db2.gz	DDRHZWHQBILLAP-UHFFFAOYSA-N	0	0	249.266	2.060	1	30		BEEFRN
C=C1C(=O)O[C@H]2C[C@@]3(C)CC(=O)C[C@H](C)C3=C[C@@H]12	ZINC000014452134	571708090	/nfs/dbraw/zinc/70/80/90/571708090.db2.gz	DSTJGYCTYZXZNH-ZUVQAIGSSA-N	0	0	246.306	2.420	1	30	endogenous,in-man	BEEFRN
C=C1CC[C@H]2C(=C)[C@H](O)C[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12	ZINC000014453940	571708649	/nfs/dbraw/zinc/70/86/49/571708649.db2.gz	NMUKFBVCUMTQOB-CLHCLYRXSA-N	0	0	248.322	2.067	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@H]2C=C(C)[C@H]3CC[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000014453858	571708716	/nfs/dbraw/zinc/70/87/16/571708716.db2.gz	APMKESKZWHNIDJ-GEJOOGBSSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
CC(=O)C1=C[C@]2(C)[C@@H](C1)CC[C@@H](O)[C@@H]2C	ZINC000015200418	571734753	/nfs/dbraw/zinc/73/47/53/571734753.db2.gz	GBUDXEBRIWMUIF-KKBFJBPOSA-N	0	0	208.301	2.319	1	30	endogenous,in-man	BEEFRN
C[N+]1([C@@H](Cc2ccccc2)C(=O)[O-])CCCCC1	ZINC000208821072	717160612	/nfs/dbraw/zinc/16/06/12/717160612.db2.gz	XWYOBEJXLCHPPJ-AWEZNQCLSA-O	0	0	248.346	2.313	1	30		BEEFRN
C=C(C)[C@]12O[C@H]1[C@@]1(C)C(=CC2=O)CC[C@H](O)[C@@H]1C	ZINC000005759142	187248928	/nfs/dbraw/zinc/24/89/28/187248928.db2.gz	PCBDXYONDOCJPR-RDEFGAFOSA-N	0	0	248.322	2.006	1	30		BEEFRN
C#CCN/N=C/Cc1ccc(C(F)(F)F)cc1	ZINC000040845088	187264379	/nfs/dbraw/zinc/26/43/79/187264379.db2.gz	ZDTLMGVOYBVFEY-RQZCQDPDSA-N	0	0	240.228	2.457	1	30		BEEFRN
CC(=O)c1cccc(C#CCn2ccnc2)c1	ZINC000585145520	343881188	/nfs/dbraw/zinc/88/11/88/343881188.db2.gz	ZINZREDBKKEDKK-UHFFFAOYSA-N	0	0	224.263	2.137	2	30		BEEFRN
C=CCc1ccc2c(c1O)C(=O)C=CC2=O	ZINC000143358537	187299044	/nfs/dbraw/zinc/29/90/44/187299044.db2.gz	XYISZJRPLANKQN-UHFFFAOYSA-N	0	0	214.220	2.056	1	30		BEEFRN
CC(=O)/C=C/c1ccc2[nH]cc(CCO)c2c1	ZINC000169337061	187303560	/nfs/dbraw/zinc/30/35/60/187303560.db2.gz	WVZBZDMTKRSQSU-NSCUHMNNSA-N	0	0	229.279	2.305	1	30		BEEFRN
CN=C(NCC1CC1)C(Cl)(Cl)Cl	ZINC000169323736	187303864	/nfs/dbraw/zinc/30/38/64/187303864.db2.gz	WLOBBXKNDDATNV-UHFFFAOYSA-N	0	0	229.538	2.385	1	30		BEEFRN
C=C1[C@H]2[C@@H](CO)[C@H]3CCC[C@]1(C)[C@H]3[C@@H]2OC	ZINC000085546600	290763189	/nfs/dbraw/zinc/76/31/89/290763189.db2.gz	AIJNIJKGHUVIFA-JJEKRJTGSA-N	0	0	222.328	2.232	1	30	biogenic,in-vitro	BEEFRN
C#CCN/N=C/Cc1ccccc1Cl	ZINC000040979926	187946446	/nfs/dbraw/zinc/94/64/46/187946446.db2.gz	MOURDMFPLAJGDV-NTEUORMPSA-N	0	0	206.676	2.091	1	30		BEEFRN
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=C)[C@]3(O)C[C@@H]12	ZINC000003895117	187986584	/nfs/dbraw/zinc/98/65/84/187986584.db2.gz	LIDPBIULZNRIJE-CTHBEMJXSA-N	0	0	248.322	2.356	1	30	biogenic,in-vitro	BEEFRN
C/C(=N\OCCO)c1ccc(Cl)s1	ZINC000169332829	187991234	/nfs/dbraw/zinc/99/12/34/187991234.db2.gz	ZSEKLOFYKRNOPS-UXBLZVDNSA-N	0	0	219.693	2.134	1	30		BEEFRN
C=C1C(=O)O[C@@H](C)[C@@H]1c1ccc2c(c1)OCO2	ZINC000045302241	188044201	/nfs/dbraw/zinc/04/42/01/188044201.db2.gz	BAUKZMAKJLISOK-QPUJVOFHSA-N	0	0	232.235	2.000	1	30		BEEFRN
C=C1C(=O)O[C@H](C)C[C@@H]1c1ccc2c(c1)OCO2	ZINC000045284766	188043804	/nfs/dbraw/zinc/04/38/04/188043804.db2.gz	OUSHYAOFOQSCAT-KCJUWKMLSA-N	0	0	246.262	2.391	1	30		BEEFRN
CC1(C)OC(/C=C/c2cccnc2)=CC1=O	ZINC000000013855	188271209	/nfs/dbraw/zinc/27/12/09/188271209.db2.gz	JJSJXYVOHHMPQN-AATRIKPKSA-N	0	0	215.252	2.357	1	30		BEEFRN
CC1(C)OC(/C=C/c2ccncc2)=CC1=O	ZINC000000013856	188271575	/nfs/dbraw/zinc/27/15/75/188271575.db2.gz	SMWMSECMTNHLLV-ONEGZZNKSA-N	0	0	215.252	2.357	1	30		BEEFRN
CC(C)=CC1=C(N)C(=O)c2ccccc2C1=O	ZINC000045256295	188297929	/nfs/dbraw/zinc/29/79/29/188297929.db2.gz	SOVGANLMVDXFJR-UHFFFAOYSA-N	0	0	227.263	2.245	1	30		BEEFRN
N#Cc1cccc(-n2cc(-c3cccnc3)nn2)c1	ZINC000068203347	188304444	/nfs/dbraw/zinc/30/44/44/188304444.db2.gz	KEUQOMRNFOFARU-UHFFFAOYSA-N	0	0	247.261	2.201	1	30		BEEFRN
C=CC[C@@H]1OC(=O)c2cc(OC)cc(OC)c21	ZINC000045186939	188398256	/nfs/dbraw/zinc/39/82/56/188398256.db2.gz	OGLGMRNDUSIZTA-JTQLQIEISA-N	0	0	234.251	2.491	1	30		BEEFRN
N#Cc1ccc2ccn(-c3ccncn3)c2c1	ZINC000095601844	181133211	/nfs/dbraw/zinc/13/32/11/181133211.db2.gz	UEFHTYPBBKKXNA-UHFFFAOYSA-N	0	0	220.235	2.292	1	30		BEEFRN
N#Cc1cc(C#N)c(N2CCCCC2)nc1Cl	ZINC000058575057	132368391	/nfs/dbraw/zinc/36/83/91/132368391.db2.gz	QJSPMUBXWAPFAZ-UHFFFAOYSA-N	0	0	246.701	2.469	1	30		BEEFRN
C(#Cc1cnc2c(c1)OCCN2)c1ccccc1	ZINC000066080186	166225882	/nfs/dbraw/zinc/22/58/82/166225882.db2.gz	MXERUOIYGDQKKP-UHFFFAOYSA-N	0	0	236.274	2.286	1	30		BEEFRN
C=CCCSc1ncnc2c1cnn2CC#N	ZINC000028895015	166293707	/nfs/dbraw/zinc/29/37/07/166293707.db2.gz	HHXLOZYANSNFPM-UHFFFAOYSA-N	0	0	245.311	2.018	1	30		BEEFRN
C=CCN1C=C(C(=O)c2ccccc2)C(=O)CC1	ZINC000061942772	166353160	/nfs/dbraw/zinc/35/31/60/166353160.db2.gz	UVKVPXQPBOCKTL-UHFFFAOYSA-N	0	0	241.290	2.214	3	30		BEEFRN
CC1=CC(=O)CC[C@]2(C)[C@@H](OC=O)CC[C@@H]12	ZINC000005757611	168091128	/nfs/dbraw/zinc/09/11/28/168091128.db2.gz	GNWMWSKEAPGFAI-AVGNSLFASA-N	0	0	222.284	2.254	1	30		BEEFRN
CN1CCC/C1=N\C(=O)Nc1ccc(O)cc1	ZINC000082299603	173002333	/nfs/dbraw/zinc/00/23/33/173002333.db2.gz	JTYPXTLRVJYDPJ-SDNWHVSQSA-N	0	0	233.271	2.048	1	30		BEEFRN
CNc1c(C#N)c(Cl)c(C#N)c(NC)c1C#N	ZINC000033855467	173470841	/nfs/dbraw/zinc/47/08/41/173470841.db2.gz	BBPSVUXNKWVJIH-UHFFFAOYSA-N	0	0	245.673	2.038	1	30		BEEFRN
COC(CCc1ccccc1)=C1C(=O)C=CC1=O	ZINC000043692924	173957046	/nfs/dbraw/zinc/95/70/46/173957046.db2.gz	DWSMWCYDEHSURI-UHFFFAOYSA-N	0	0	242.274	2.228	1	30		BEEFRN
COC1=CC(=O)O[C@H](c2cccc(C#N)c2)C1	ZINC000036373452	174013102	/nfs/dbraw/zinc/01/31/02/174013102.db2.gz	GHMBGJLLTRBFDW-LBPRGKRZSA-N	0	0	229.235	2.077	3	30		BEEFRN
COc1ccc([C@H](O)C2=CCCC2=O)cc1	ZINC000008689788	175193067	/nfs/dbraw/zinc/19/30/67/175193067.db2.gz	VUXSKTNXBJRYBH-ZDUSSCGKSA-N	0	0	218.252	2.018	1	30		BEEFRN
COc1ccc2c(c1)[C@@]1(C)CC[C@@H](O2)[C@]12CO2	ZINC000017105299	175215654	/nfs/dbraw/zinc/21/56/54/175215654.db2.gz	YARPTZLUZXARAZ-MGPQQGTHSA-N	0	0	232.279	2.277	1	30		BEEFRN
COc1ccccc1NC(C)=C1C(=O)COC1=O	ZINC000101743152	175315718	/nfs/dbraw/zinc/31/57/18/175315718.db2.gz	VUCOTIWPWVVXFL-RIYZIHGNSA-N	0	0	247.250	2.157	1	30		BEEFRN
C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@@H](C)[C@H]1C=CC(=O)[C@]12C	ZINC000017060634	176218585	/nfs/dbraw/zinc/21/85/85/176218585.db2.gz	DVCXNIHYLQWNNZ-QBZZKDQPSA-N	0	0	248.322	2.355	1	30		BEEFRN
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CCCC(=C)[C@]21O	ZINC000005202243	560111155	/nfs/dbraw/zinc/11/11/55/560111155.db2.gz	NCECWMQYVUVUKL-VIRABCJISA-N	0	0	248.322	2.356	1	30	biogenic	BEEFRN
CC(=O)SCC[C@H](S)CCCCC(N)=O	ZINC000032790981	571744348	/nfs/dbraw/zinc/74/43/48/571744348.db2.gz	WXCOTNFMLYTGPZ-SECBINFHSA-N	0	0	249.401	2.000	1	30	endogenous,in-man	BEEFRN
C[N+](C)(C)[C@H](CC1=CCc2ccccc21)C(=O)[O-]	ZINC000238768042	717163056	/nfs/dbraw/zinc/16/30/56/717163056.db2.gz	JAFXFMZCFHSMEJ-CQSZACIVSA-O	0	0	246.330	2.176	1	30		BEEFRN
Cc1cc2oc(N(N)CCC#N)nc2c(C)c1C	ZINC000029409342	178307545	/nfs/dbraw/zinc/30/75/45/178307545.db2.gz	KWCSNJIARCZLDY-UHFFFAOYSA-N	0	0	244.298	2.347	1	30		BEEFRN
C=C[C@@H]1C(=C)C(=O)Oc2cc(OC)cc(OC)c21	ZINC000084712190	187243694	/nfs/dbraw/zinc/24/36/94/187243694.db2.gz	PBEJMAHOCNGDLP-SNVBAGLBSA-N	0	0	246.262	2.449	1	30		BEEFRN
C=C1C(=O)O[C@H](c2ccc(OC)cc2)[C@H]1C	ZINC000040402482	187353688	/nfs/dbraw/zinc/35/36/88/187353688.db2.gz	JROMYRDSGVZCRC-UFBFGSQYSA-N	0	0	218.252	2.485	1	30		BEEFRN
C=CCc1ccccc1[C@H](C)OC1=NCCN1	ZINC000045257637	187354624	/nfs/dbraw/zinc/35/46/24/187354624.db2.gz	MCAGSCISRRGDGQ-NSHDSACASA-N	0	0	230.311	2.452	1	30		BEEFRN
CCCCCCCC[C@@H]1OC(=O)[C@@H]2O[C@@H]21	ZINC000043397046	168654052	/nfs/dbraw/zinc/65/40/52/168654052.db2.gz	USJKTHWLDMJUGX-HBNTYKKESA-N	0	0	212.289	2.430	1	30		BEEFRN
C#CC[N@@H+]1CCC[C@H]2Cc3ccccc3C[C@@H]21	ZINC000013781532	188051753	/nfs/dbraw/zinc/05/17/53/188051753.db2.gz	QBYJCHHMWPLLFC-HOTGVXAUSA-N	0	0	225.335	2.499	1	30		BEEFRN
C=C1CC[C@@H]2C(=C)CC[C@H]3[C@H](CO)C(=O)O[C@@H]3[C@@H]12	ZINC000103277686	188051996	/nfs/dbraw/zinc/05/19/96/188051996.db2.gz	JACOXIUOTHSYLC-QMVSFRDZSA-N	0	0	248.322	2.069	1	30		BEEFRN
Cc1nc(C#Cc2ccncc2)cs1	ZINC000013492928	188052296	/nfs/dbraw/zinc/05/22/96/188052296.db2.gz	WWKCHJLBBNNNCI-UHFFFAOYSA-N	0	0	200.266	2.246	1	30	in-vivo	BEEFRN
CC(NCc1ccccc1)=C1C(=O)O[C@H](C)C1=O	ZINC000102489535	188322912	/nfs/dbraw/zinc/32/29/12/188322912.db2.gz	GADSISTZCRABPM-XBDQXEDDSA-N	0	0	245.278	2.405	1	30		BEEFRN
N#Cc1nc(/C=C/c2ccccc2)oc1N	ZINC000005832364	181167381	/nfs/dbraw/zinc/16/73/81/181167381.db2.gz	APQLOEQOOKSCNV-VOTSOKGWSA-N	0	0	211.224	2.299	1	30		BEEFRN
C(#Cc1ncnc2[nH]ccc21)c1ccccc1	ZINC000115877275	356706944	/nfs/dbraw/zinc/70/69/44/356706944.db2.gz	HQZDICYMSFULAO-UHFFFAOYSA-N	0	0	219.247	2.358	2	30		BEEFRN
O=c1ccnc2cc(C#Cc3ccccc3)ccn12	ZINC000066073744	183005961	/nfs/dbraw/zinc/00/59/61/183005961.db2.gz	BQUMEJOETXDKQW-UHFFFAOYSA-N	0	0	246.269	2.094	1	30		BEEFRN
CCCCc1ccc(/C=N/NC(N)=S)cc1	ZINC000028713825	169019624	/nfs/dbraw/zinc/01/96/24/169019624.db2.gz	UTSFFPXONTVWMJ-NTEUORMPSA-N	0	0	235.356	2.196	1	30		BEEFRN
C#CC#CCC/C=C/C=C\C(=O)NCC(C)C	ZINC000040874052	166109629	/nfs/dbraw/zinc/10/96/29/166109629.db2.gz	PSAKYIJFKFCZFO-PVHUKWJHSA-N	0	0	229.323	2.288	1	30		BEEFRN
C=CCN1C(=O)CS/C1=N/c1cccc(O)c1	ZINC000061688163	166350948	/nfs/dbraw/zinc/35/09/48/166350948.db2.gz	MPWPVTZWXNZDSQ-OUKQBFOZSA-N	0	0	248.307	2.141	1	30		BEEFRN
CC(C)[C@@H](C)NC(=O)[C@@H](C#N)C(C)(C)C	ZINC000103179557	167376555	/nfs/dbraw/zinc/37/65/55/167376555.db2.gz	FYPOEIMSSSIZFZ-NXEZZACHSA-N	0	0	210.321	2.333	1	30		BEEFRN
CC1=CC(=O)C2=C(C)C[C@H]3OC(=O)C(C)=C3C=C12	ZINC000014619520	168090639	/nfs/dbraw/zinc/09/06/39/168090639.db2.gz	BAHMQESJBKGPTE-CYBMUJFWSA-N	0	0	242.274	2.404	1	30	biogenic	BEEFRN
CC1=CC(=Nn2cccc2)C=C(C)C1=O	ZINC000028759589	168091738	/nfs/dbraw/zinc/09/17/38/168091738.db2.gz	WHGZXJFSMUYJBQ-UHFFFAOYSA-N	0	0	200.241	2.168	1	30		BEEFRN
CCOC(=O)C(=CNc1ccccc1)[N+](=O)[O-]	ZINC000101693798	170179064	/nfs/dbraw/zinc/17/90/64/170179064.db2.gz	PKBPJRVNRABPBT-WROCRQLKSA-N	0	0	236.227	2.429	1	30		BEEFRN
CCOc1cc(C)cc2c1C(=O)C=CC2=O	ZINC000028871768	170520103	/nfs/dbraw/zinc/52/01/03/170520103.db2.gz	LODPHABIJQOPCR-UHFFFAOYSA-N	0	0	216.236	2.329	1	30		BEEFRN
CC[C@H](C)C1=C(OC)[C@H](O)[C@](C)(CC)C1=O	ZINC000096910465	171257712	/nfs/dbraw/zinc/25/77/12/171257712.db2.gz	UOZDDNRMIPAGFH-AQUOVQTQSA-N	0	0	226.316	2.293	1	30		BEEFRN
COCCCNC=C1C(=O)CC(C)(C)CC1=O	ZINC000017820213	174147499	/nfs/dbraw/zinc/14/74/99/174147499.db2.gz	CPULBFRGFFHQOR-NTEUORMPSA-N	0	0	239.315	2.295	1	30		BEEFRN
COc1ccc(C2=NO[C@H](C#N)CC2)cc1OC	ZINC000040913889	175085270	/nfs/dbraw/zinc/08/52/70/175085270.db2.gz	AUISFCIZRVTIDY-JTQLQIEISA-N	0	0	246.266	2.110	1	30		BEEFRN
COc1ccccc1C(=O)C1=CN2CCC1CC2	ZINC000026716235	175316210	/nfs/dbraw/zinc/31/62/10/175316210.db2.gz	FOFLCCPWXLOSCY-UHFFFAOYSA-N	0	0	243.306	2.487	1	30		BEEFRN
C[C@]12CC[C@H](O)[C@H]3O[C@]31CC=C1CC[C@H]12	ZINC000027561437	177484082	/nfs/dbraw/zinc/48/40/82/177484082.db2.gz	GSBYPWALXRFSIV-NZEXEKPDSA-N	0	0	206.285	2.025	1	30		BEEFRN
C=C(C)[C@@H]1[C@H]2OC(=O)C(=C)[C@@H]2CC[C@@]1(C)C=O	ZINC000014615271	560100648	/nfs/dbraw/zinc/10/06/48/560100648.db2.gz	SEKYSIRNABWJPO-OPDFLTKYSA-N	0	0	234.295	2.276	1	30	biogenic	BEEFRN
Cc1ccc(C)c2c1C=C(C(C)(C)O)C(=O)C2=O	ZINC000015151142	560228938	/nfs/dbraw/zinc/22/89/38/560228938.db2.gz	TYIWPAAARMXKSH-UHFFFAOYSA-N	0	0	244.290	2.223	1	30	biogenic,in-vitro	BEEFRN
C=C1C(=O)O[C@H]2C[C@]3(C)[C@@H](O)CC=C(C)[C@@H]3C[C@@H]12	ZINC000014451968	571708037	/nfs/dbraw/zinc/70/80/37/571708037.db2.gz	SGRJYGRCAPBLSW-CXOVXGEYSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
C#CC#C[C@H](O)/C=C/CCCCCCCCO	ZINC000014639195	571717404	/nfs/dbraw/zinc/71/74/04/571717404.db2.gz	KIIGQXVIHZSFAX-VOMSXAGXSA-N	0	0	234.339	2.263	1	30	endogenous,in-man	BEEFRN
CC1=CC(=O)[C@H]2[C@H]1[C@@H]1OC(=O)[C@@H](C)[C@H]1CC[C@H]2C	ZINC000100781758	571836136	/nfs/dbraw/zinc/83/61/36/571836136.db2.gz	FJKWKEZAHVWIOR-DRFDNQDVSA-N	0	0	248.322	2.355	1	30	endogenous,in-man	BEEFRN
Cc1cc([C@H](C#N)c2ccccc2)n2ncnc2n1	ZINC000001350916	178244533	/nfs/dbraw/zinc/24/45/33/178244533.db2.gz	XAIXXRRMUITDRQ-GFCCVEGCSA-N	0	0	249.277	2.088	3	30		BEEFRN
Cc1cc2c(cc1C)C(=O)[C@H](C#N)CO2	ZINC000029413743	178285511	/nfs/dbraw/zinc/28/55/11/178285511.db2.gz	XZNBMWWHJRQMSA-SECBINFHSA-N	0	0	201.225	2.018	1	30		BEEFRN
Cc1ccc(CN=Nc2cnccn2)s1	ZINC000031871395	178357491	/nfs/dbraw/zinc/35/74/91/178357491.db2.gz	SUGRSOCDWSQXTJ-AWNIVKPZSA-N	0	0	218.285	2.293	1	30		BEEFRN
Cc1ccc(CN=Nc2ncccn2)s1	ZINC000031871394	178358776	/nfs/dbraw/zinc/35/87/76/178358776.db2.gz	PXOAHDPJJGMMCC-NTUHNPAUSA-N	0	0	218.285	2.293	1	30		BEEFRN
C=C1C(=O)Oc2cc(OC)cc(OC)c2[C@H]1C	ZINC000084704926	187243517	/nfs/dbraw/zinc/24/35/17/187243517.db2.gz	QWOOQKARHSUWED-ZETCQYMHSA-N	0	0	234.251	2.283	1	30		BEEFRN
CCCc1[nH]c(=O)c(C#N)cc1-c1ccncc1	ZINC000027715320	187255957	/nfs/dbraw/zinc/25/59/57/187255957.db2.gz	KALBBNASERLKTK-UHFFFAOYSA-N	0	0	239.278	2.261	1	30		BEEFRN
CC(=O)c1ccc(C#CCn2cccn2)cc1	ZINC000585145371	343880386	/nfs/dbraw/zinc/88/03/86/343880386.db2.gz	PLIGRXRCDQQKMG-UHFFFAOYSA-N	0	0	224.263	2.137	2	30		BEEFRN
C(#Cc1cc2c(nn1)CCC2)c1ccccc1	ZINC000585145159	344179897	/nfs/dbraw/zinc/17/98/97/344179897.db2.gz	ZVQUZDWRTHXPIZ-UHFFFAOYSA-N	0	0	220.275	2.365	2	30		BEEFRN
CC(=O)CC[C@H](C(C)C)[C@H]1O[C@@H]1C(C)(C)O	ZINC000014485644	187310147	/nfs/dbraw/zinc/31/01/47/187310147.db2.gz	NZONGNWZJAITOL-UTUOFQBUSA-N	0	0	228.332	2.166	1	30		BEEFRN
Cn1nc(-c2ccccc2)c(N=[N+]=[N-])cc1=O	ZINC000017219782	180799220	/nfs/dbraw/zinc/79/92/20/180799220.db2.gz	VNQMCTJVKRSPIV-UHFFFAOYSA-N	0	0	227.227	2.389	1	30		BEEFRN
C=C1c2ccccc2O[C@H](C(=O)OCC)[C@@H]1OC	ZINC000034960948	187886645	/nfs/dbraw/zinc/88/66/45/187886645.db2.gz	DRDPBPLANWLBOF-OLZOCXBDSA-N	0	0	248.278	2.039	1	30		BEEFRN
N#Cc1cccc(-n2cc(C(F)F)nn2)c1	ZINC000028962859	187938067	/nfs/dbraw/zinc/93/80/67/187938067.db2.gz	KYLNOZXQNBKYGK-UHFFFAOYSA-N	0	0	220.182	2.077	1	30		BEEFRN
C=C1C[C@@H](c2ccc(OC)cc2)N(C)C1=O	ZINC000040918937	188042469	/nfs/dbraw/zinc/04/24/69/188042469.db2.gz	VPABOJRORKZEPO-LBPRGKRZSA-N	0	0	217.268	2.155	1	30		BEEFRN
C=C[C@H]1C(=C)C(=O)Oc2cc3c(cc21)OCO3	ZINC000084671649	188270718	/nfs/dbraw/zinc/27/07/18/188270718.db2.gz	BBAAGXJXKJRUPQ-QMMMGPOBSA-N	0	0	230.219	2.160	1	30		BEEFRN
C=C1C(=O)C[C@@]23CCC[C@@]12C[C@@H](OCOC)C3	ZINC000001618342	188273847	/nfs/dbraw/zinc/27/38/47/188273847.db2.gz	DRJBQSFFNCKLBA-FPMFFAJLSA-N	0	0	236.311	2.455	1	30		BEEFRN
N#Cc1c[nH]c(-c2ccc(-n3ccnc3)cc2)n1	ZINC000026981314	181079595	/nfs/dbraw/zinc/07/95/95/181079595.db2.gz	BWINQDZBXFMYCY-UHFFFAOYSA-N	0	0	235.250	2.134	1	30		BEEFRN
N#Cc1ccc(-c2cc3nccnc3[nH]2)cc1	ZINC000100827971	181094948	/nfs/dbraw/zinc/09/49/48/181094948.db2.gz	PPGCPKFMJCJVLW-UHFFFAOYSA-N	0	0	220.235	2.448	1	30		BEEFRN
N#Cc1cccc(C#Cc2cccc(F)n2)c1	ZINC000084690609	181134565	/nfs/dbraw/zinc/13/45/65/181134565.db2.gz	HSNCZSOZYYJFJF-UHFFFAOYSA-N	0	0	222.222	2.492	1	30		BEEFRN
O=C(NO)c1ccc(/C=C/c2ccc(O)cc2)o1	ZINC000040914041	182280441	/nfs/dbraw/zinc/28/04/41/182280441.db2.gz	ZXMWCNGIVVSWOO-ZZXKWVIFSA-N	0	0	245.234	2.275	1	30		BEEFRN
C#C[C@H]1[C@H]2O[C@H]2c2ccccc2N1C(=O)OCC	ZINC000026277798	132267267	/nfs/dbraw/zinc/26/72/67/132267267.db2.gz	JHQRMRBQIJWSGA-WCFLWFBJSA-N	0	0	243.262	2.105	1	30		BEEFRN
C(#Cc1ccc2ccccc2n1)c1cncnc1	ZINC000095591532	166226155	/nfs/dbraw/zinc/22/61/55/166226155.db2.gz	GFNUYKAMDJMYIM-UHFFFAOYSA-N	0	0	231.258	2.425	1	30		BEEFRN
C=CCC[C@H]1CC2(OCCO2)[C@@H]2C=CC(=O)[C@@H]21	ZINC000169350692	166303209	/nfs/dbraw/zinc/30/32/09/166303209.db2.gz	ZUEFKCPDRWDIOS-DMDPSCGWSA-N	0	0	234.295	2.087	1	30		BEEFRN
C=CCN(C)C(=N)C(Cl)(Cl)Cl	ZINC000169323760	166314193	/nfs/dbraw/zinc/31/41/93/166314193.db2.gz	XQLZWUFNYPLIIZ-UHFFFAOYSA-N	0	0	215.511	2.452	1	30		BEEFRN
C=CCN1C(=O)C(=Cc2ccccc2)NC1=S	ZINC000005852317	166350337	/nfs/dbraw/zinc/35/03/37/166350337.db2.gz	CYABOUGGYACUAF-LUAWRHEFSA-N	0	0	244.319	2.342	1	30		BEEFRN
CCN1C=C(C(=O)c2ccccc2)C(=O)CC1	ZINC000061942777	169949557	/nfs/dbraw/zinc/94/95/57/169949557.db2.gz	AIPZTRDVAGCSHJ-UHFFFAOYSA-N	0	0	229.279	2.048	3	30		BEEFRN
CCOC(=O)c1csc(N=NC(C)C)n1	ZINC000003921220	170305986	/nfs/dbraw/zinc/30/59/86/170305986.db2.gz	PDLFTEDQCBGQJQ-UHFFFAOYSA-N	0	0	227.289	2.128	1	30		BEEFRN
CNC(=S)Nc1nc2cc(N=[N+]=[N-])ccc2[nH]1	ZINC000026576992	173316666	/nfs/dbraw/zinc/31/66/66/173316666.db2.gz	QFJOJGCJFUPQGK-UHFFFAOYSA-N	0	0	247.287	2.421	1	30		BEEFRN
C[C@H]1[C@H]2CC(=O)C(=O)[C@H](C2=O)[C@@H]1c1ccccc1	ZINC000102960457	177436831	/nfs/dbraw/zinc/43/68/31/177436831.db2.gz	DVPJMMIMWMZLBX-JAAHAHCPSA-N	0	0	242.274	2.246	1	30		BEEFRN
COc1cc2oc(=O)ccc2cc1/C=C\C(C)=O	ZINC000095918811	560054921	/nfs/dbraw/zinc/05/49/21/560054921.db2.gz	GSVYFPMXLIFUDJ-ARJAWSKDSA-N	0	0	244.246	2.404	1	30	biogenic,in-vitro	BEEFRN
CC(=O)C1=C[C@@]23OC(=O)[C@H](C)[C@H]2CC[C@@H](C)[C@H]3C1	ZINC000095099159	560062634	/nfs/dbraw/zinc/06/26/34/560062634.db2.gz	VFLOLBPOQXTIRV-NIXVVTAYSA-N	0	0	248.322	2.500	1	30	biogenic,in-vitro	BEEFRN
CC1=CC(=O)[C@@H]2[C@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1CC[C@H]2C	ZINC000085489937	560075502	/nfs/dbraw/zinc/07/55/02/560075502.db2.gz	FJKWKEZAHVWIOR-JFTYAQHESA-N	0	0	248.322	2.355	1	30	biogenic,in-vitro	BEEFRN
O=C(C#Cc1ccc(O)cc1)c1ccc(O)cc1	ZINC000049000320	560085071	/nfs/dbraw/zinc/08/50/71/560085071.db2.gz	PYTBOJXUAJEHLW-UHFFFAOYSA-N	0	0	238.242	2.332	1	30	biogenic,in-vitro	BEEFRN
OCCCC#CC#C/C=C/c1ccco1	ZINC000033833571	560088097	/nfs/dbraw/zinc/08/80/97/560088097.db2.gz	GIDLUUBFEBRYSA-RMKNXTFCSA-N	0	0	200.237	2.072	1	30	biogenic,in-vitro	BEEFRN
C=C1C(=O)OC[C@@H]1COC(=O)CCCC(C)C	ZINC000005962566	560203959	/nfs/dbraw/zinc/20/39/59/560203959.db2.gz	MATCXQMBPPFUJB-NSHDSACASA-N	0	0	240.299	2.085	1	30	in-vitro	BEEFRN
CC(=O)/C=C/[C@@H]1C(C)=C[C@H](O)CC1(C)C	ZINC000014587637	560222548	/nfs/dbraw/zinc/22/25/48/560222548.db2.gz	FDSNVAKZRJLMJN-CYLBZQBVSA-N	0	0	208.301	2.485	1	30	in-vitro	BEEFRN
C=C1C[C@H]2C(=C(CO)C13CC3)CC(C)(C)[C@H]2O	ZINC000014516041	571711938	/nfs/dbraw/zinc/71/19/38/571711938.db2.gz	ZVWRQSVBGORCLN-GWCFXTLKSA-N	0	0	234.339	2.422	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@H]2C[C@]3(C)CC(=O)C[C@@H](C)C3=C[C@@H]12	ZINC000014452131	571708026	/nfs/dbraw/zinc/70/80/26/571708026.db2.gz	DSTJGYCTYZXZNH-KIRGAOJCSA-N	0	0	246.306	2.420	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@H]2C[C@]3(C)CC(=O)C[C@H](C)C3=C[C@@H]12	ZINC000014452132	571708113	/nfs/dbraw/zinc/70/81/13/571708113.db2.gz	DSTJGYCTYZXZNH-BHCNVRCUSA-N	0	0	246.306	2.420	1	30	endogenous,in-man	BEEFRN
CC1=CC(=O)[C@H]2[C@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1CC[C@H]2C	ZINC000100781751	571836109	/nfs/dbraw/zinc/83/61/09/571836109.db2.gz	FJKWKEZAHVWIOR-JBLOLAFMSA-N	0	0	248.322	2.355	1	30	endogenous,in-man	BEEFRN
C=C[C@]12CC(=O)[C@@]3(C(=O)O1)[C@H](C)CC[C@@]3(C)[C@@H]2C	ZINC000039078738	290763191	/nfs/dbraw/zinc/76/31/91/290763191.db2.gz	JHLBKWMSBXQNES-UFNBPRGBSA-N	0	0	248.322	2.500	1	30	biogenic,in-vitro	BEEFRN
C=C[C@H](OC(C)=O)c1cccc(OC(C)=O)c1	ZINC000028342297	187372425	/nfs/dbraw/zinc/37/24/25/187372425.db2.gz	RJCMPHWISJEADP-ZDUSSCGKSA-N	0	0	234.251	2.402	1	30		BEEFRN
C=C1CO[C@H]2Oc3ccc4ccc(=O)oc4c3[C@@H]12	ZINC000014594103	187391874	/nfs/dbraw/zinc/39/18/74/187391874.db2.gz	LBKZVXDBYGRCRP-RISCZKNCSA-N	0	0	242.230	2.182	1	30		BEEFRN
Cc1nccn1C(=S)SCCCC#N	ZINC000103287139	180230470	/nfs/dbraw/zinc/23/04/70/180230470.db2.gz	JVMSHZCHUAUBNS-UHFFFAOYSA-N	0	0	225.342	2.362	1	30		BEEFRN
CC(NCc1ccccc1)=C1C(=O)COC1=O	ZINC000102889966	187459712	/nfs/dbraw/zinc/45/97/12/187459712.db2.gz	XMRIBWDATJJNIH-ZROIWOOFSA-N	0	0	231.251	2.016	1	30		BEEFRN
CC(C)(O)C#Cc1c(C=O)[nH]c2ccccc12	ZINC000036388872	187759535	/nfs/dbraw/zinc/75/95/35/187759535.db2.gz	VMBJRYNAJNCKEP-UHFFFAOYSA-N	0	0	227.263	2.103	3	30		BEEFRN
C=C[C@@H](OC(C)=O)c1cccc(OC(C)=O)c1	ZINC000028342303	188059714	/nfs/dbraw/zinc/05/97/14/188059714.db2.gz	RJCMPHWISJEADP-CYBMUJFWSA-N	0	0	234.251	2.402	1	30		BEEFRN
C=CC[C@H]1C(=O)C[C@@H]2[C@@H](CC=C)[C@H](O)C[C@H]12	ZINC000169352493	188078802	/nfs/dbraw/zinc/07/88/02/188078802.db2.gz	UPLVKAIEEBRSIP-SYLRKERUSA-N	0	0	220.312	2.341	1	30		BEEFRN
C=C1C(=O)Oc2cc(OC)cc(OC)c2[C@@H]1C	ZINC000084704928	188098185	/nfs/dbraw/zinc/09/81/85/188098185.db2.gz	QWOOQKARHSUWED-SSDOTTSWSA-N	0	0	234.251	2.283	1	30		BEEFRN
C/C(=N/OCCO)c1ccc(Cl)s1	ZINC000169332830	188161573	/nfs/dbraw/zinc/16/15/73/188161573.db2.gz	ZSEKLOFYKRNOPS-POHAHGRESA-N	0	0	219.693	2.134	1	30		BEEFRN
CNC(=S)[C@]1(c2cnccn2)CCCS1	ZINC000026725271	188464299	/nfs/dbraw/zinc/46/42/99/188464299.db2.gz	FPNFFUQLQGAGKB-SNVBAGLBSA-N	0	0	239.369	2.157	1	30		BEEFRN
[N-]=[N+]=Nc1ccc(C(=[NH2+])NCCCC(=O)[O-])cc1	ZINC000026498464	188465086	/nfs/dbraw/zinc/46/50/86/188465086.db2.gz	QBTIQJBWUVTGLY-UHFFFAOYSA-N	0	0	247.258	2.199	1	30		BEEFRN
NC(=S)N/N=C/c1cc2ccccc2s1	ZINC000049088050	181317821	/nfs/dbraw/zinc/31/78/21/181317821.db2.gz	ONUOUADJAQHBSM-WUXMJOGZSA-N	0	0	235.337	2.068	1	30		BEEFRN
O/N=C(\NC1CCCCC1)c1cccnc1	ZINC000072174691	181824559	/nfs/dbraw/zinc/82/45/59/181824559.db2.gz	UJSPLBLAFVBBDY-UHFFFAOYSA-N	0	0	219.288	2.140	1	30		BEEFRN
O=C(N=C1NCCCS1)c1ccc(F)cc1	ZINC000169316195	181852986	/nfs/dbraw/zinc/85/29/86/181852986.db2.gz	VUWBKMAHLOLBOA-UHFFFAOYSA-N	0	0	238.287	2.048	1	30		BEEFRN
O=C(Cc1ccsc1-c1ccccc1)NO	ZINC000000186610	182059213	/nfs/dbraw/zinc/05/92/13/182059213.db2.gz	BAMGMLIGVKFSBR-UHFFFAOYSA-N	0	0	233.292	2.463	3	30		BEEFRN
O=C1Nc2ccccc2C1C=NC[C@@H]1CCCO1	ZINC000102912550	183252836	/nfs/dbraw/zinc/25/28/36/183252836.db2.gz	HVUMUHGVTMSUHS-QNKACBJSSA-N	0	0	244.294	2.471	1	30		BEEFRN
CCCN1CCO[C@H](c2ccc(O)c(C#N)c2)C1	ZINC000028957459	169205509	/nfs/dbraw/zinc/20/55/09/169205509.db2.gz	ZNLXXODVWATRGR-AWEZNQCLSA-N	0	0	246.310	2.047	1	30		BEEFRN
C#CCOC(=O)Nc1cc(Cl)ccc1O	ZINC000027313754	166194811	/nfs/dbraw/zinc/19/48/11/166194811.db2.gz	MQXKZBWGIFOJQP-UHFFFAOYSA-N	0	0	225.631	2.227	1	30		BEEFRN
C(#Cc1ncccn1)c1ccc2ccccc2n1	ZINC000095590241	166224951	/nfs/dbraw/zinc/22/49/51/166224951.db2.gz	IOHVTLSLVWABAG-UHFFFAOYSA-N	0	0	231.258	2.425	1	30		BEEFRN
C=CCCC[C@H]1CN(C(=O)CCC=C)C1=O	ZINC000044362297	166247974	/nfs/dbraw/zinc/24/79/74/166247974.db2.gz	LKULZFCDUWZHGR-NSHDSACASA-N	0	0	221.300	2.294	1	30		BEEFRN
CC1(C)CC(=O)C=C(OC(=O)C2CC2)C1	ZINC000013836340	167882945	/nfs/dbraw/zinc/88/29/45/167882945.db2.gz	URYMCUXVCZBWKR-UHFFFAOYSA-N	0	0	208.257	2.213	1	30		BEEFRN
CC1=CC(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]2OC=O	ZINC000005757610	168090652	/nfs/dbraw/zinc/09/06/52/168090652.db2.gz	GNWMWSKEAPGFAI-AGIUHOORSA-N	0	0	222.284	2.254	1	30		BEEFRN
CC1=C2[C@H](C[C@@H](C)[C@@H]3CC(=O)C(C)=C[C@H]23)OC1=O	ZINC000040981325	168126256	/nfs/dbraw/zinc/12/62/56/168126256.db2.gz	JCTYUEGJVULBEI-ROBVANNZSA-N	0	0	246.306	2.420	1	30		BEEFRN
C=C1C(=O)c2[nH]c3ccccc3c2C(=O)C1OC	ZINC000103288354	174012550	/nfs/dbraw/zinc/01/25/50/174012550.db2.gz	CPWQXXPTIQPYTN-UHFFFAOYSA-N	0	0	241.246	2.467	1	30		BEEFRN
COC1=CC(=O)C(C)=C2C[C@H](C)OC=C12	ZINC000013462741	174013491	/nfs/dbraw/zinc/01/34/91/174013491.db2.gz	OUKVSYNLCDYHEH-ZETCQYMHSA-N	0	0	206.241	2.109	1	30		BEEFRN
COC[C@@H](C)NC=C1C(=O)CC(C)(C)CC1=O	ZINC000006530782	174434548	/nfs/dbraw/zinc/43/45/48/174434548.db2.gz	FHECNLNBOJVOJY-UGHKADQRSA-N	0	0	239.315	2.293	1	30		BEEFRN
COc1ccc(NC(C)=C2C(=O)COC2=O)cc1	ZINC000101958650	175049755	/nfs/dbraw/zinc/04/97/55/175049755.db2.gz	CJTFCZBCIDELGD-RIYZIHGNSA-N	0	0	247.250	2.157	1	30		BEEFRN
COc1ccc(C2=NO[C@H](C#N)CC2)cc1	ZINC000040835171	175085678	/nfs/dbraw/zinc/08/56/78/175085678.db2.gz	LTJGAHKPVKSXHV-NSHDSACASA-N	0	0	216.240	2.102	1	30		BEEFRN
COc1ccc2nc(C#N)ccc2c1[N+](=O)[O-]	ZINC000103269697	175226785	/nfs/dbraw/zinc/22/67/85/175226785.db2.gz	NYDBCIYPJUUGQN-UHFFFAOYSA-N	0	0	229.195	2.023	1	30		BEEFRN
CSc1ssc(=[S+]C)c1[O-]	ZINC000006425354	175593520	/nfs/dbraw/zinc/59/35/20/175593520.db2.gz	AMSLVAGKYMPJGI-UHFFFAOYSA-O	0	0	211.378	2.481	1	30		BEEFRN
C[C@H]1C(=O)O[C@H]2[C@@H]1CC[C@H](C)[C@H]1C=CC(=O)[C@]12C	ZINC000017060632	177207224	/nfs/dbraw/zinc/20/72/24/177207224.db2.gz	DVCXNIHYLQWNNZ-JNMKMZOPSA-N	0	0	248.322	2.355	1	30		BEEFRN
C=C(C)[C@@H]1CCC2=C(C1)[C@H](C)[C@@H](O)[C@@H](O)C2	ZINC000100778878	574418822	/nfs/dbraw/zinc/41/88/22/574418822.db2.gz	XSCYYIVXGBKTOC-GIFSMMMISA-N	0	0	222.328	2.421	1	30	endogenous,in-man	BEEFRN
C=C1CC=C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12	ZINC000070451215	560048860	/nfs/dbraw/zinc/04/88/60/560048860.db2.gz	VMGUBSLDEXOUMH-GLQYFDAESA-N	0	0	246.306	2.481	1	30	biogenic,in-vitro	BEEFRN
CC1=CC[C@@]23O[C@@]2(C)CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]13	ZINC000005529686	560202396	/nfs/dbraw/zinc/20/23/96/560202396.db2.gz	CBRKCJOSZHRKFH-HRSNZQSQSA-N	0	0	248.322	2.452	1	30	biogenic,in-vitro	BEEFRN
CC1=CC[C@]23O[C@@]2(C)CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]13	ZINC000005529685	560202399	/nfs/dbraw/zinc/20/23/99/560202399.db2.gz	CBRKCJOSZHRKFH-UVGOUCATSA-N	0	0	248.322	2.452	1	30	in-vitro	BEEFRN
C=C1C(=O)O[C@H]2C[C@]3(C)C[C@H](O)C[C@H](C)C3=C[C@@H]12	ZINC000014452128	571708143	/nfs/dbraw/zinc/70/81/43/571708143.db2.gz	FZSKLHDEGWSLTB-KFOGKVHZSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
CC(=O)C1=C[C@]2(C)[C@@H](C1)CC[C@H](O)[C@@H]2C	ZINC000015200414	571734663	/nfs/dbraw/zinc/73/46/63/571734663.db2.gz	GBUDXEBRIWMUIF-MHNYQROPSA-N	0	0	208.301	2.319	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@@H]2C[C@]3(C)CC(=O)C[C@@H](C)C3=C[C@@H]12	ZINC000085850052	571790193	/nfs/dbraw/zinc/79/01/93/571790193.db2.gz	DSTJGYCTYZXZNH-XBTXLRGASA-N	0	0	246.306	2.420	1	30	endogenous,in-man	BEEFRN
Cc1cc(Cl)ccc1/C=C/C(=O)NO	ZINC000014980462	178064880	/nfs/dbraw/zinc/06/48/80/178064880.db2.gz	UWFUNUDRGMZSCC-HWKANZROSA-N	0	0	211.648	2.167	1	30		BEEFRN
CC(=O)c1ccccc1C#CCn1cccn1	ZINC000585145231	344179873	/nfs/dbraw/zinc/17/98/73/344179873.db2.gz	IRTNMDBBSAEGCC-UHFFFAOYSA-N	0	0	224.263	2.137	2	30		BEEFRN
Cc1ccccc1CNc1nc(C#N)cnc1C#N	ZINC000095597361	179286252	/nfs/dbraw/zinc/28/62/52/179286252.db2.gz	HWCQDOCBUVLUQM-UHFFFAOYSA-N	0	0	249.277	2.140	1	30		BEEFRN
Cc1cccc(C#CC(=O)Nc2ccccc2)n1	ZINC000040575307	187528320	/nfs/dbraw/zinc/52/83/20/187528320.db2.gz	ASRGZPHCBUGDSD-UHFFFAOYSA-N	0	0	236.274	2.380	1	30		BEEFRN
C=C(C(=O)c1ccc(Cl)cc1)n1cncn1	ZINC000029253746	187764665	/nfs/dbraw/zinc/76/46/65/187764665.db2.gz	VCRNAYLEZMGAHK-UHFFFAOYSA-N	0	0	233.658	2.285	1	30		BEEFRN
C=C(C)[C@H]1CC[C@@]2(C)OC(=O)N(N(C)C)[C@]12C	ZINC000004482346	187874351	/nfs/dbraw/zinc/87/43/51/187874351.db2.gz	LGEHZYPILQDWCU-RAIGVLPGSA-N	0	0	238.331	2.419	2	30		BEEFRN
C=C1C(=O)O[C@H](C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000045303274	187866786	/nfs/dbraw/zinc/86/67/86/187866786.db2.gz	WPXPQLYDUCEQPQ-LDYMZIIASA-N	0	0	233.223	2.180	1	30		BEEFRN
C=C1[C@@H](O)[C@@H]2CC(C)(C)CC2=C(CO)C12CC2	ZINC000014516038	188082377	/nfs/dbraw/zinc/08/23/77/188082377.db2.gz	JHBDUVWVSRZMOV-DGCLKSJQSA-N	0	0	234.339	2.422	1	30		BEEFRN
C=CCc1ccc(O)c(-c2cc(CO)on2)c1	ZINC000084618322	188098122	/nfs/dbraw/zinc/09/81/22/188098122.db2.gz	YAZCFLYPOOBQPX-UHFFFAOYSA-N	0	0	231.251	2.268	1	30		BEEFRN
CNC(=S)[C@]1(c2cccnc2)CCCCC1=O	ZINC000000010523	188099062	/nfs/dbraw/zinc/09/90/62/188099062.db2.gz	PYJPFPWAYOYUMI-ZDUSSCGKSA-N	0	0	248.351	2.421	1	30		BEEFRN
C/C=C/[C@@]1(C)/C(=N\O)[C@@](C)(CCC)C(=O)N1O	ZINC000017196182	188106767	/nfs/dbraw/zinc/10/67/67/188106767.db2.gz	DJKXSIULBUPHMY-KUYJFSOGSA-N	0	0	240.303	2.189	1	30		BEEFRN
C/C(=N\OC[C@@H](C)O)c1ccc(Cl)cc1	ZINC000169332863	188162014	/nfs/dbraw/zinc/16/20/14/188162014.db2.gz	NOJPBAWBQAIAEH-AHWGFSDVSA-N	0	0	227.691	2.461	1	30		BEEFRN
CC1(C)OC(=O)C(C=Nc2ccccc2)C(=O)O1	ZINC000100703624	188149587	/nfs/dbraw/zinc/14/95/87/188149587.db2.gz	SUCBXPYORYEAPO-RIYZIHGNSA-N	0	0	247.250	2.468	1	30		BEEFRN
C=C1C(=O)O[C@@H](c2ccc(OC)cc2)[C@H]1C	ZINC000040402476	188215495	/nfs/dbraw/zinc/21/54/95/188215495.db2.gz	JROMYRDSGVZCRC-QPUJVOFHSA-N	0	0	218.252	2.485	1	30		BEEFRN
C=CCCn1c(Cl)c(C#N)sc1=O	ZINC000013828868	188224908	/nfs/dbraw/zinc/22/49/08/188224908.db2.gz	IAQBHRRRMSWQHV-UHFFFAOYSA-N	0	0	214.677	2.011	1	30		BEEFRN
N#CC#Cc1cc(F)c(Cl)nc1Cl	ZINC000096929982	181026770	/nfs/dbraw/zinc/02/67/70/181026770.db2.gz	ZDEBZVXNNMLVIN-UHFFFAOYSA-N	0	0	215.014	2.403	1	30		BEEFRN
N/N=C/Cc1ccc(Cl)cc1Cl	ZINC000103206672	181184920	/nfs/dbraw/zinc/18/49/20/181184920.db2.gz	AQHRZDBZBINLEJ-UUILKARUSA-N	0	0	203.072	2.480	1	30		BEEFRN
CCCN1CCO[C@H](c2cc(O)cc(C#N)c2)C1	ZINC000028957430	169205120	/nfs/dbraw/zinc/20/51/20/169205120.db2.gz	JQYNCOPZIHLBIW-AWEZNQCLSA-N	0	0	246.310	2.047	1	30		BEEFRN
C#CCC#CCN/N=C/Cc1ccc(C)cc1	ZINC000040980602	166113435	/nfs/dbraw/zinc/11/34/35/166113435.db2.gz	YPFQFFBEGCIOLC-GHRIWEEISA-N	0	0	224.307	2.140	1	30		BEEFRN
C=CCCC[C@@H]1CN(C(=O)CCC=C)C1=O	ZINC000044362292	166246448	/nfs/dbraw/zinc/24/64/48/166246448.db2.gz	LKULZFCDUWZHGR-LLVKDONJSA-N	0	0	221.300	2.294	1	30		BEEFRN
CC/C(=N\NC(=S)NC)c1ccc(C)cc1	ZINC000007943901	167820046	/nfs/dbraw/zinc/82/00/46/167820046.db2.gz	BAKWTQLOQCYLRX-SDNWHVSQSA-N	0	0	235.356	2.203	1	30		BEEFRN
CC1=C2C(=O)C[C@H](C)[C@@H]2C[C@H]2[C@@H](C1)OC(=O)[C@H]2C	ZINC000049109488	168089619	/nfs/dbraw/zinc/08/96/19/168089619.db2.gz	JNXOQTZXOHWPCJ-AZRBTLBLSA-N	0	0	248.322	2.500	1	30		BEEFRN
Cc1ccc2c3c1C(=O)C(=O)C(C)=C3OC=C2	ZINC000028376324	168091253	/nfs/dbraw/zinc/09/12/53/168091253.db2.gz	CBKDMURWCULGOS-UHFFFAOYSA-N	0	0	226.231	2.492	1	30		BEEFRN
CC1=CC(=O)C(C(=O)C=Cc2ccco2)C1=O	ZINC000101404695	168091678	/nfs/dbraw/zinc/09/16/78/168091678.db2.gz	VOYYDRJPLGEDPK-JOKBTEAVSA-N	0	0	230.219	2.203	1	30		BEEFRN
COc1ccc(OC)c(/C=N/C[C@@H]2CCCO2)c1	ZINC000103215780	175164861	/nfs/dbraw/zinc/16/48/61/175164861.db2.gz	IDDHRLZSXDXPNG-NCPSJORJSA-N	0	0	249.310	2.302	1	30		BEEFRN
COc1ccc2c(c1)[C@]1(C)CC[C@H](O2)[C@]12CO2	ZINC000017105297	175216950	/nfs/dbraw/zinc/21/69/50/175216950.db2.gz	YARPTZLUZXARAZ-MELADBBJSA-N	0	0	232.279	2.277	1	30		BEEFRN
COc1cccc(C=NNc2ccccn2)c1O	ZINC000007993951	175241054	/nfs/dbraw/zinc/24/10/54/175241054.db2.gz	FFZWBZJRENXDNU-OQLLNIDSSA-N	0	0	243.266	2.242	1	30	in-vitro	BEEFRN
C[C@@H](c1ccccc1)N(CC#N)[C@@H]1CCC[C@H]1O	ZINC000073372347	176020531	/nfs/dbraw/zinc/02/05/31/176020531.db2.gz	KJHGQMRPDVTOPD-NWANDNLSSA-N	0	0	244.338	2.487	1	30		BEEFRN
C[C@@H]1CCC2=C(O1)c1ccccc1C(=O)C2=O	ZINC000029124265	176062302	/nfs/dbraw/zinc/06/23/02/176062302.db2.gz	WZCUAEHRIJLYOA-MRVPVSSYSA-N	0	0	228.247	2.362	1	30		BEEFRN
C=C1CC[C@H]2[C@H]3C(=O)O[C@@H](C(=O)[C@@]12C)[C@H]3C(C)C	ZINC000034624902	560086992	/nfs/dbraw/zinc/08/69/92/560086992.db2.gz	AFKMPTKEDFWMES-RSPOJEKHSA-N	0	0	248.322	2.355	1	30	biogenic,in-vitro	BEEFRN
C=C1C(=O)O[C@H]2C[C@]3(C)[C@H](O)CC=C(C)[C@@H]3C[C@@H]12	ZINC000014451966	571708170	/nfs/dbraw/zinc/70/81/70/571708170.db2.gz	SGRJYGRCAPBLSW-BAYHKCFCSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
C=C1CC[C@H]2C(=C)[C@H](O)C[C@H]3[C@@H](OC(=O)[C@H]3C)[C@@H]12	ZINC000014453941	571708710	/nfs/dbraw/zinc/70/87/10/571708710.db2.gz	NMUKFBVCUMTQOB-DHRKEOQWSA-N	0	0	248.322	2.067	1	30	endogenous,in-man	BEEFRN
C(#Cc1nccc2occc21)Cn1cccn1	ZINC000585145396	344180378	/nfs/dbraw/zinc/18/03/78/344180378.db2.gz	QSKZPGHPTXJQIM-UHFFFAOYSA-N	0	0	223.235	2.076	2	30		BEEFRN
C=C1C[C@@H](O)C[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@H]12	ZINC000033830284	290762876	/nfs/dbraw/zinc/76/28/76/290762876.db2.gz	VPOHGVWBUPKXAL-IKVITTDRSA-N	0	0	248.322	2.356	1	30	biogenic,in-vitro	BEEFRN
C=CCc1cc(C2=CC(=O)C=CC2=O)ccc1O	ZINC000086024295	290763193	/nfs/dbraw/zinc/76/31/93/290763193.db2.gz	FEGJXAGGLBXBLV-UHFFFAOYSA-N	0	0	240.258	2.212	1	30	biogenic,in-vitro	BEEFRN
C=C1[C@H]2C[C@@H]3CCC[C@]1(C)[C@H]3[C@]2(O)OC	ZINC000085546618	290763195	/nfs/dbraw/zinc/76/31/95/290763195.db2.gz	KVDNDRKELNLBLO-FPYNETTCSA-N	0	0	208.301	2.334	1	30	biogenic,in-vitro	BEEFRN
C=CCc1c(OC(C)=O)ccc2ccc(=O)oc21	ZINC000026401050	187372212	/nfs/dbraw/zinc/37/22/12/187372212.db2.gz	SVCVRRCALFDFGG-UHFFFAOYSA-N	0	0	244.246	2.447	1	30		BEEFRN
C=C1C(=O)O[C@@H]2C[C@H](C)C3=C(C[C@H]12)[C@@H](C)CC3=O	ZINC000013585413	187415264	/nfs/dbraw/zinc/41/52/64/187415264.db2.gz	HOIDSLSDZLEMRW-HTLPYRINSA-N	0	0	246.306	2.420	1	30		BEEFRN
C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)C[C@H]12	ZINC000000898460	187876211	/nfs/dbraw/zinc/87/62/11/187876211.db2.gz	DCKYPAZZUYXYTC-GCJOFGIHSA-N	0	0	248.322	2.500	1	30		BEEFRN
C=CCN1Sc2ccccc2[S@]1=O	ZINC000005852428	166360395	/nfs/dbraw/zinc/36/03/95/166360395.db2.gz	WMBPWLZPWHTOLE-ZDUSSCGKSA-N	0	0	211.311	2.218	1	30		BEEFRN
C=C1C(=O)O[C@H]2C[C@]3(C)CCCC(=O)[C@@H]3C[C@@H]12	ZINC000169365812	188079026	/nfs/dbraw/zinc/07/90/26/188079026.db2.gz	FUJHTQQGDLWDFW-WRZDFSGXSA-N	0	0	234.295	2.254	1	30		BEEFRN
C=C(C)[C@H]1Cc2c(c3ccccc3n(C)c2=O)O1	ZINC000001623094	188082108	/nfs/dbraw/zinc/08/21/08/188082108.db2.gz	DXOQSCPOXTUANK-CYBMUJFWSA-N	0	0	241.290	2.418	1	30		BEEFRN
COc1ncc(C#Cc2cccc(C)c2)cn1	ZINC000040974146	188216088	/nfs/dbraw/zinc/21/60/88/188216088.db2.gz	YFVHHXMYWMMJEF-UHFFFAOYSA-N	0	0	224.263	2.193	1	30		BEEFRN
C/C(=N\OC[C@H](C)O)c1ccc(Cl)cc1	ZINC000169332864	188520590	/nfs/dbraw/zinc/52/05/90/188520590.db2.gz	NOJPBAWBQAIAEH-AXPYHWFSSA-N	0	0	227.691	2.461	1	30		BEEFRN
N#Cc1c2ncccc2[nH]c1N1CCCCC1	ZINC000013490321	181078005	/nfs/dbraw/zinc/07/80/05/181078005.db2.gz	AJWXIDJKSHAVHR-UHFFFAOYSA-N	0	0	226.283	2.425	1	30		BEEFRN
Cc1nc(C#Cc2ccc(F)nc2)cs1	ZINC000013680966	188585617	/nfs/dbraw/zinc/58/56/17/188585617.db2.gz	STKPMHFXZTXLIG-UHFFFAOYSA-N	0	0	218.256	2.385	1	30		BEEFRN
N#Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1	ZINC000095590111	181131502	/nfs/dbraw/zinc/13/15/02/181131502.db2.gz	IQZVDELBKPBSMX-UHFFFAOYSA-N	0	0	235.250	2.079	1	30		BEEFRN
O/N=C/c1nccn1CCCc1ccccc1	ZINC000103254421	181826607	/nfs/dbraw/zinc/82/66/07/181826607.db2.gz	ZALMKNFJMCXMPU-RVDMUPIBSA-N	0	0	229.283	2.324	1	30		BEEFRN
O=C(NO)C1c2ccccc2Cc2ccccc21	ZINC000045298518	182279213	/nfs/dbraw/zinc/27/92/13/182279213.db2.gz	SIYRPEHGIQLXJG-UHFFFAOYSA-N	0	0	239.274	2.228	1	30	in-vivo	BEEFRN
OCC#Cc1ccccc1C#Cc1ccccc1	ZINC000028648726	183033719	/nfs/dbraw/zinc/03/37/19/183033719.db2.gz	NTKGZWHBHPSDFW-UHFFFAOYSA-N	0	0	232.282	2.430	1	30		BEEFRN
C#CCC#CCN/N=C/Cc1ccccc1Cl	ZINC000045496819	166113456	/nfs/dbraw/zinc/11/34/56/166113456.db2.gz	PBGIQTPVPPLUSL-SFQUDFHCSA-N	0	0	244.725	2.485	1	30		BEEFRN
C#CCN(C)[C@H](C[18F])Cc1ccccc1	ZINC000102905469	166160504	/nfs/dbraw/zinc/16/05/04/166160504.db2.gz	FPPVPPCQNSSPGJ-OBTQWQRRSA-N	0	0	204.279	2.132	1	30		BEEFRN
C#C[C@@H](O)/C=C/CCCCCC/C=C/[C@H](O)C#C	ZINC000096914856	166214141	/nfs/dbraw/zinc/21/41/41/166214141.db2.gz	YUTFLVQSQJNSGY-KWWKBFPYSA-N	0	0	246.350	2.428	1	30		BEEFRN
CN1CCC/C1=N\C(=O)Nc1ccc(F)cc1	ZINC000139148031	173001486	/nfs/dbraw/zinc/00/14/86/173001486.db2.gz	KSHBTYXUACFFQE-RVDMUPIBSA-N	0	0	235.262	2.482	1	30		BEEFRN
CNc1ccccc1NC(=O)[C@H](C)CS	ZINC000103236606	173483405	/nfs/dbraw/zinc/48/34/05/173483405.db2.gz	OLWPAOPOSWROTK-MRVPVSSYSA-N	0	0	224.329	2.233	1	30		BEEFRN
COc1ccc(Nc2nc(C#N)c(N)s2)cc1	ZINC000001625489	175156639	/nfs/dbraw/zinc/15/66/39/175156639.db2.gz	OQUNZTFZBABXOM-UHFFFAOYSA-N	0	0	246.295	2.349	1	30		BEEFRN
COc1ccc(OC)c(/C=N/C[C@H]2CCCO2)c1	ZINC000103215782	175164180	/nfs/dbraw/zinc/16/41/80/175164180.db2.gz	IDDHRLZSXDXPNG-GULXKOIASA-N	0	0	249.310	2.302	1	30		BEEFRN
COc1ccccc1C1=CC(=O)C(C)(C)O1	ZINC000026730906	175320551	/nfs/dbraw/zinc/32/05/51/175320551.db2.gz	WCGVUVSDQTVMRV-UHFFFAOYSA-N	0	0	218.252	2.414	1	30		BEEFRN
C[C@@H]1C(=O)O[C@H]2CCC3=CC(=O)C[C@H](C)[C@@]3(C)[C@@H]12	ZINC000040860590	176047299	/nfs/dbraw/zinc/04/72/99/176047299.db2.gz	FDXWIBXGNSYWLQ-GLBWXDBNSA-N	0	0	248.322	2.500	1	30		BEEFRN
C[C@@]12C=CC3=CC(=O)CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000101504285	176549552	/nfs/dbraw/zinc/54/95/52/176549552.db2.gz	RXGAHAWBVXILPO-XDQVBPFNSA-N	0	0	218.296	2.239	1	30		BEEFRN
C[C@H]1CCC2=C(O1)c1ccccc1C(=O)C2=O	ZINC000029124267	177069275	/nfs/dbraw/zinc/06/92/75/177069275.db2.gz	WZCUAEHRIJLYOA-QMMMGPOBSA-N	0	0	228.247	2.362	1	30		BEEFRN
C=C1C(=O)O[C@@H]2[C@@H]3C(C)=CC=C3[C@](C)(O)CC[C@@H]12	ZINC000070454916	560047921	/nfs/dbraw/zinc/04/79/21/560047921.db2.gz	KIZFTYZOGYUOIN-QMPIGLIWSA-N	0	0	246.306	2.132	1	30	biogenic,in-vitro	BEEFRN
C/C(=C/Cc1cc2c(cc1O)CC(=O)C=C2)CO	ZINC000059588026	560082449	/nfs/dbraw/zinc/08/24/49/560082449.db2.gz	BNKPLHIVTXAWFZ-SGAXSIHGSA-N	0	0	244.290	2.012	1	30	biogenic,in-vitro	BEEFRN
CC(=O)/C=C/[C@H]1C(C)=C[C@@H](O)CC1(C)C	ZINC000014587636	560222524	/nfs/dbraw/zinc/22/25/24/560222524.db2.gz	FDSNVAKZRJLMJN-AIIUZBJTSA-N	0	0	208.301	2.485	1	30	in-vitro	BEEFRN
C=C1C(=O)O[C@H]2C[C@@]3(C)[C@H](O)CC=C(C)[C@@H]3C[C@@H]12	ZINC000014451970	571708173	/nfs/dbraw/zinc/70/81/73/571708173.db2.gz	SGRJYGRCAPBLSW-XOBFJNJYSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@H]2C[C@@]3(C)C(=C[C@@H]12)[C@@H](C)CC[C@@H]3O	ZINC000014452585	571708637	/nfs/dbraw/zinc/70/86/37/571708637.db2.gz	FRNIMDDQCZHAFA-ACSNOGEASA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@H]2C=C(C)[C@H]3CC[C@@](C)(O)[C@@H]3C[C@H]12	ZINC000014453860	571708679	/nfs/dbraw/zinc/70/86/79/571708679.db2.gz	APMKESKZWHNIDJ-XLFUENPSSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
C=C1C[C@@H]2C(=C(CO)C13CC3)CC(C)(C)[C@H]2O	ZINC000014516043	571711786	/nfs/dbraw/zinc/71/17/86/571711786.db2.gz	ZVWRQSVBGORCLN-MFKMUULPSA-N	0	0	234.339	2.422	1	30	endogenous,in-man	BEEFRN
CC(=O)C1=C[C@]2(C)[C@@H](C1)CC[C@@H](O)[C@H]2C	ZINC000015200416	571734752	/nfs/dbraw/zinc/73/47/52/571734752.db2.gz	GBUDXEBRIWMUIF-STRQVWJDSA-N	0	0	208.301	2.319	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@@H]2C[C@]3(C)C=CC(=O)C(=C)[C@@H]3C[C@H]12	ZINC000105385095	571843285	/nfs/dbraw/zinc/84/32/85/571843285.db2.gz	LXMUZMFQJGRVFW-OICBVUGWSA-N	0	0	244.290	2.196	1	30	endogenous,in-man	BEEFRN
CCC(CC)N=C(NC#N)Nc1cccnc1	ZINC000013232576	168332103	/nfs/dbraw/zinc/33/21/03/168332103.db2.gz	VUTFWRRFRIIESD-UHFFFAOYSA-N	0	0	231.303	2.109	1	30		BEEFRN
Cc1cc2c(nc3ccc(C#N)cn3c2=O)s1	ZINC000027992940	178278152	/nfs/dbraw/zinc/27/81/52/178278152.db2.gz	DNIMBPWLZCNTNK-UHFFFAOYSA-N	0	0	241.275	2.089	1	30		BEEFRN
Cc1cc2c(cc1C)C(=O)[C@@H](C#N)CO2	ZINC000029413746	178285392	/nfs/dbraw/zinc/28/53/92/178285392.db2.gz	XZNBMWWHJRQMSA-VIFPVBQESA-N	0	0	201.225	2.018	1	30		BEEFRN
C(#Cc1cncc2ccccc12)Cn1ccnc1	ZINC000585145409	343881041	/nfs/dbraw/zinc/88/10/41/343881041.db2.gz	RWNDZYGQGYPHQZ-UHFFFAOYSA-N	0	0	233.274	2.483	2	30		BEEFRN
CC(=O)c1ccccc1C#CCn1ccnc1	ZINC000585145446	343881249	/nfs/dbraw/zinc/88/12/49/343881249.db2.gz	VDHDPFHXVIXAMF-UHFFFAOYSA-N	0	0	224.263	2.137	2	30		BEEFRN
CC(=O)c1cccc(C#CCn2cccn2)c1	ZINC000585145440	343881258	/nfs/dbraw/zinc/88/12/58/343881258.db2.gz	USPDOPYKJGTHCF-UHFFFAOYSA-N	0	0	224.263	2.137	2	30		BEEFRN
C(#Cc1ccc2ncccc2c1)Cn1cccn1	ZINC000585145176	344179930	/nfs/dbraw/zinc/17/99/30/344179930.db2.gz	GAGKPLZKPKKONK-UHFFFAOYSA-N	0	0	233.274	2.483	2	30		BEEFRN
C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@]34CO4)[C@@H]12	ZINC000257493109	290762841	/nfs/dbraw/zinc/76/28/41/290762841.db2.gz	NJBCAHFQVWKXSX-KBRXKUPHSA-N	0	0	246.306	2.229	1	30	biogenic	BEEFRN
CC#CC#CC/C=C/C=C/C(=O)NCC(C)C	ZINC000014825586	290763184	/nfs/dbraw/zinc/76/31/84/290763184.db2.gz	LFYBJVLJNNOYNG-HULFFUFUSA-N	0	0	229.323	2.288	1	30	endogenous,in-man	BEEFRN
COCc1cncc(C#Cc2csc(C)n2)c1	ZINC000013487235	187406509	/nfs/dbraw/zinc/40/65/09/187406509.db2.gz	AWDRAHDWMICWJM-UHFFFAOYSA-N	0	0	244.319	2.393	1	30	in-vitro	BEEFRN
Cc1nc2c(cc1C#N)C(=O)c1ccccc1-2	ZINC000000481765	180069527	/nfs/dbraw/zinc/06/95/27/180069527.db2.gz	VNUHTNOZVNGJIU-UHFFFAOYSA-N	0	0	220.231	2.473	3	30		BEEFRN
C=CCN(CC=C)C(=S)N/N=C(/C)CC	ZINC000103224000	166332398	/nfs/dbraw/zinc/33/23/98/166332398.db2.gz	CPDQORHJUYGNJR-BENRWUELSA-N	0	0	225.361	2.321	1	30		BEEFRN
Cn1c(C=O)c(C#CC(C)(C)O)c2ccccc21	ZINC000036388874	180617006	/nfs/dbraw/zinc/61/70/06/180617006.db2.gz	WLXCXULAZOPSRO-UHFFFAOYSA-N	0	0	241.290	2.113	3	30		BEEFRN
C=CCCCCCC#CC#CCOCCO	ZINC000015146247	188081533	/nfs/dbraw/zinc/08/15/33/188081533.db2.gz	KEDZJDWXYPLFCE-UHFFFAOYSA-N	0	0	220.312	2.139	1	30		BEEFRN
C#CCN/N=C/Cc1ccccc1C(F)(F)F	ZINC000040828689	188117987	/nfs/dbraw/zinc/11/79/87/188117987.db2.gz	YZKSRQGGNZOEHV-RQZCQDPDSA-N	0	0	240.228	2.457	1	30		BEEFRN
N#Cc1cccc(-n2cnc(-c3cccnc3)n2)c1	ZINC000103224486	188150641	/nfs/dbraw/zinc/15/06/41/188150641.db2.gz	MRNKPGUPJDWZTG-UHFFFAOYSA-N	0	0	247.261	2.201	1	30		BEEFRN
C=CC[C@H]1OC(=O)c2cc(OC)cc(OC)c21	ZINC000045186942	188216666	/nfs/dbraw/zinc/21/66/66/188216666.db2.gz	OGLGMRNDUSIZTA-SNVBAGLBSA-N	0	0	234.251	2.491	1	30		BEEFRN
C=C1C(=O)O[C@@H](C)[C@@H]1c1ccc(OC)cc1	ZINC000045246066	188216992	/nfs/dbraw/zinc/21/69/92/188216992.db2.gz	NYMOOWAEZQGRQQ-JOYOIKCWSA-N	0	0	218.252	2.280	1	30		BEEFRN
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](O)CC=C(C)[C@H]21	ZINC000000898662	188225525	/nfs/dbraw/zinc/22/55/25/188225525.db2.gz	PLSSEPIRACGCBO-AIUMHDJVSA-N	0	0	248.322	2.211	1	30	biogenic	BEEFRN
C=CCCCCCC#CC#C[C@H](O)CC(C)=O	ZINC000014502353	188225530	/nfs/dbraw/zinc/22/55/30/188225530.db2.gz	HSZSIOCCFYEOGS-HNNXBMFYSA-N	0	0	232.323	2.470	1	30		BEEFRN
C=C1C[C@@H](Cc2ccc(OC)c(OC)c2)OC1=O	ZINC000021989631	188415091	/nfs/dbraw/zinc/41/50/91/188415091.db2.gz	ANFYCAQQUTXCPT-NSHDSACASA-N	0	0	248.278	2.118	1	30		BEEFRN
N#CC1(C#N)[C@@H]2C=C[C@@H]([C@@H]3CCC=C32)C1(C#N)C#N	ZINC000016999499	181027937	/nfs/dbraw/zinc/02/79/37/181027937.db2.gz	NMDYXEJUQZVVHX-UPJWGTAASA-N	0	0	246.273	2.206	1	30		BEEFRN
N#Cc1c[nH]c(-c2nccn2Cc2ccccc2)n1	ZINC000100872997	181079603	/nfs/dbraw/zinc/07/96/03/181079603.db2.gz	CAXCVPDDYMIABT-UHFFFAOYSA-N	0	0	249.277	2.193	1	30		BEEFRN
N#Cc1ccc2ccn(-c3cccc(N)n3)c2c1	ZINC000095602825	181133216	/nfs/dbraw/zinc/13/32/16/181133216.db2.gz	CSLDJIQXODIGOA-UHFFFAOYSA-N	0	0	234.262	2.479	1	30		BEEFRN
N#Cc1cccc(-c2cncnc2-n2ccnc2)c1	ZINC000004239451	181133809	/nfs/dbraw/zinc/13/38/09/181133809.db2.gz	XBXFKBLIMFZPAN-UHFFFAOYSA-N	0	0	247.261	2.201	1	30		BEEFRN
NC(=S)N[C@@H](c1ccccc1)c1ccncc1	ZINC000000971568	181183848	/nfs/dbraw/zinc/18/38/48/181183848.db2.gz	IUCDFFIOUGAUCW-LBPRGKRZSA-N	0	0	243.335	2.416	3	30		BEEFRN
Oc1ccc(/C=N\c2ccncc2)c(O)c1	ZINC000103275593	183266802	/nfs/dbraw/zinc/26/68/02/183266802.db2.gz	OLDTVDSYDKCYLF-ZSOIEALJSA-N	0	0	214.224	2.243	1	30		BEEFRN
S=C(N/N=C/c1cccs1)N1CCCC1	ZINC000027747670	183311473	/nfs/dbraw/zinc/31/14/73/183311473.db2.gz	BJWNQOYSJHYPTQ-DHZHZOJOSA-N	0	0	239.369	2.052	1	30		BEEFRN
Cc1c2oc(=O)c(C#N)cc2c2ccccn12	ZINC000001650387	177637659	/nfs/dbraw/zinc/63/76/59/177637659.db2.gz	ZXTNTCKCIPGSTJ-UHFFFAOYSA-N	0	0	224.219	2.226	1	30		BEEFRN
C#C[C@H](O)/C=C/CCCCCC/C=C/[C@H](O)C#C	ZINC000096914854	166214001	/nfs/dbraw/zinc/21/40/01/166214001.db2.gz	YUTFLVQSQJNSGY-IFNWOFBNSA-N	0	0	246.350	2.428	1	30		BEEFRN
CC1=CC(=O)C([C@@H]2C=CCCC2)=CC1=O	ZINC000052956457	168091012	/nfs/dbraw/zinc/09/10/12/168091012.db2.gz	ZZAHBAFDZZNNJA-SNVBAGLBSA-N	0	0	202.253	2.367	1	30		BEEFRN
CC1=CC(=O)C2=C(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12	ZINC000014619544	168091084	/nfs/dbraw/zinc/09/10/84/168091084.db2.gz	CTXCWPVELDJQRF-GWCFXTLKSA-N	0	0	244.290	2.484	1	30	biogenic,in-vitro	BEEFRN
CO/N=C/c1cc(OC)cc(-c2ccccn2)n1	ZINC000013382340	173493036	/nfs/dbraw/zinc/49/30/36/173493036.db2.gz	WOCWELSPPBUMDA-OQLLNIDSSA-N	0	0	243.266	2.133	1	30		BEEFRN
COc1ccc(C(=O)/C=C/c2cncn2C)cc1	ZINC000169323650	175052763	/nfs/dbraw/zinc/05/27/63/175052763.db2.gz	VUABSULIBQWCMT-VMPITWQZSA-N	0	0	242.278	2.325	1	30		BEEFRN
COc1ccc(C=C(C(C)=O)C(C)=O)cc1OC	ZINC000001022286	175086091	/nfs/dbraw/zinc/08/60/91/175086091.db2.gz	YTCOSZAOXSXWEG-UHFFFAOYSA-N	0	0	248.278	2.265	3	30		BEEFRN
C[C@H]1C(=O)O[C@H]2[C@@H]1CC[C@@H](C)[C@H]1C=CC(=O)[C@]12C	ZINC000017060630	176237464	/nfs/dbraw/zinc/23/74/64/176237464.db2.gz	DVCXNIHYLQWNNZ-LVKXLNOLSA-N	0	0	248.322	2.355	1	30		BEEFRN
C=C1C(=O)O[C@@H]2C[C@]3(C)C=CC(=O)C(=C)[C@@H]3C[C@@H]12	ZINC000230079664	574420320	/nfs/dbraw/zinc/42/03/20/574420320.db2.gz	LXMUZMFQJGRVFW-MEDZGJRSSA-N	0	0	244.290	2.196	1	30	endogenous,in-man	BEEFRN
C=C1[C@@H]2C[C@@H](C[C@@H]2CO)[C@]1(C)CCC=O	ZINC000085546672	560070574	/nfs/dbraw/zinc/07/05/74/560070574.db2.gz	NWUPGTXURLYYPJ-FVCCEPFGSA-N	0	0	208.301	2.176	1	30	biogenic,in-vitro	BEEFRN
C=C1C[C@H]2C(=C(CO)C13CC3)CC(C)(C)[C@@H]2O	ZINC000014516046	571711698	/nfs/dbraw/zinc/71/16/98/571711698.db2.gz	ZVWRQSVBGORCLN-GXFFZTMASA-N	0	0	234.339	2.422	1	30	endogenous,in-man	BEEFRN
C#CC#CCC/C=C\C=C\C(=O)NCC(C)C	ZINC000014825590	571725621	/nfs/dbraw/zinc/72/56/21/571725621.db2.gz	PSAKYIJFKFCZFO-XAZJVICWSA-N	0	0	229.323	2.288	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@@H]2C[C@]3(C)C[C@H](O)C[C@H](C)C3=C[C@@H]12	ZINC000006199972	574412751	/nfs/dbraw/zinc/41/27/51/574412751.db2.gz	FZSKLHDEGWSLTB-WTNMTXSWSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
CCCCCCCn1cc2c(n1)ncnc2N	ZINC000034633672	581093481	/nfs/dbraw/zinc/09/34/81/581093481.db2.gz	ZAXCNLRZRWVQML-UHFFFAOYSA-N	0	0	233.319	2.379	1	30		BEEFRN
CC(C)=CC(=O)C[C@@H]1C(=O)O[C@H]2CCC[C@H]12	ZINC000026743692	581094033	/nfs/dbraw/zinc/09/40/33/581094033.db2.gz	FRPFDONKAHIRLY-WOPDTQHZSA-N	0	0	222.284	2.254	1	30		BEEFRN
CCOC(=O)C#Cc1ncccc1C(F)(F)F	ZINC000585144012	343878427	/nfs/dbraw/zinc/87/84/27/343878427.db2.gz	ZETCDLIMWAXWFM-UHFFFAOYSA-N	0	0	243.184	2.015	2	30		BEEFRN
C=C(C)[C@@H]1Cc2cc(C(=O)OC)ccc2O1	ZINC000033830719	290761909	/nfs/dbraw/zinc/76/19/09/290761909.db2.gz	AMYPKJBHUVIYPY-LBPRGKRZSA-N	0	0	218.252	2.353	1	30	biogenic,in-vitro	BEEFRN
Cc1ccccc1CNC(=O)[C@H](C)CS	ZINC000103237316	179279392	/nfs/dbraw/zinc/27/93/92/179279392.db2.gz	ZADSNRADKLJUKW-SNVBAGLBSA-N	0	0	223.341	2.177	1	30		BEEFRN
C#CN1c2ccccc2N(C)C(=O)c2cccnc21	ZINC000005852222	187537484	/nfs/dbraw/zinc/53/74/84/187537484.db2.gz	HJPOBUOHMVLNAD-UHFFFAOYSA-N	0	0	249.273	2.400	1	30		BEEFRN
C=C[C@]1(O)CCC[C@]2(C)C(=O)CC[C@@]21C	ZINC000005955569	187537492	/nfs/dbraw/zinc/53/74/92/187537492.db2.gz	JBJFXAFSWSKQET-AGIUHOORSA-N	0	0	208.301	2.463	1	30		BEEFRN
C=C1C(=O)O[C@@H]2C[C@@]3(C)CC(=O)C=C(C)[C@@H]3C[C@H]12	ZINC000001752347	187741401	/nfs/dbraw/zinc/74/14/01/187741401.db2.gz	VTEFIBXQBGMXNK-QVHKTLOISA-N	0	0	246.306	2.420	1	30	biogenic	BEEFRN
C/C=C/C#CC#Cc1ccc(CO)s1	ZINC000015272544	188082059	/nfs/dbraw/zinc/08/20/59/188082059.db2.gz	XFCGMIGOOIZCKE-NSCUHMNNSA-N	0	0	202.278	2.171	1	30		BEEFRN
CC(=O)/C=C/c1cc2ccccc2c(=O)o1	ZINC000040979375	188118439	/nfs/dbraw/zinc/11/84/39/188118439.db2.gz	IATQFIVMNWTIGE-VOTSOKGWSA-N	0	0	214.220	2.395	1	30		BEEFRN
C#CCNCc1coc(-c2ccccc2C)n1	ZINC000072183601	188221224	/nfs/dbraw/zinc/22/12/24/188221224.db2.gz	JNIJZSUMBBYLTJ-UHFFFAOYSA-N	0	0	226.279	2.373	1	30		BEEFRN
C=C1CO[C@H]2Oc3ccc4ccc(=O)oc4c3[C@H]12	ZINC000014594101	188224947	/nfs/dbraw/zinc/22/49/47/188224947.db2.gz	LBKZVXDBYGRCRP-FZMZJTMJSA-N	0	0	242.230	2.182	1	30		BEEFRN
C=C1C(=O)O[C@H]2C[C@]3(C)C[C@H](O)CC(=C)[C@H]3C[C@@H]12	ZINC000004900008	188225532	/nfs/dbraw/zinc/22/55/32/188225532.db2.gz	OVIILQQKQPCQTF-JYKNGBAOSA-N	0	0	248.322	2.211	1	30		BEEFRN
C=C[C@H](c1ccccc1)[C@@H]1C[C@@H](O)C=CC1=O	ZINC000038302433	188472967	/nfs/dbraw/zinc/47/29/67/188472967.db2.gz	RTLQJCZEXLLNLE-MJBXVCDLSA-N	0	0	228.291	2.462	1	30		BEEFRN
C=C[C@H]1C[C@H]2C=CCO[P@@](=O)(O1)O2	ZINC000143953562	188508473	/nfs/dbraw/zinc/50/84/73/188508473.db2.gz	HEFHKSYPUAMSGC-DAROEXNTSA-N	0	0	202.146	2.041	1	30		BEEFRN
N#Cc1cccc(-c2cn(-c3cccnc3)nn2)c1	ZINC000103224491	181133887	/nfs/dbraw/zinc/13/38/87/181133887.db2.gz	GYTZEVDZMKDHCO-UHFFFAOYSA-N	0	0	247.261	2.201	1	30		BEEFRN
N#Cc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2	ZINC000014962840	181131389	/nfs/dbraw/zinc/13/13/89/181131389.db2.gz	OZZRIFBHIKSSHK-GHXNOFRVSA-N	0	0	235.246	2.379	1	30		BEEFRN
NC1=CC(=O)c2ncccc2C1=Nc1ccccc1	ZINC000027646425	181337920	/nfs/dbraw/zinc/33/79/20/181337920.db2.gz	GWZXEIHEAYNKPZ-NBVRZTHBSA-N	0	0	249.273	2.241	1	30		BEEFRN
O=C(NO)c1ccc(/C=C/c2ccccc2O)o1	ZINC000040406383	182280835	/nfs/dbraw/zinc/28/08/35/182280835.db2.gz	JYWPGDYURGSVMW-AATRIKPKSA-N	0	0	245.234	2.275	1	30		BEEFRN
Oc1ccc2[nH]cc(CN=Nc3ncc[nH]3)c2c1	ZINC000013741849	183278256	/nfs/dbraw/zinc/27/82/56/183278256.db2.gz	JQSXLHFJQDVRNF-FRKPEAEDSA-N	0	0	241.254	2.043	1	30		BEEFRN
C=CCNC(=O)C(C)(C)[C@H](O)c1ccccc1	ZINC000040896610	166363433	/nfs/dbraw/zinc/36/34/33/166363433.db2.gz	WQYNORCOKOITJE-GFCCVEGCSA-N	0	0	233.311	2.048	1	30		BEEFRN
CC1=C(/C=N/NC(N)=S)C(C)(C)CC=C1	ZINC000169326894	168074663	/nfs/dbraw/zinc/07/46/63/168074663.db2.gz	VFYYWCMVLMGLKX-NTUHNPAUSA-N	0	0	223.345	2.108	1	30		BEEFRN
CC1=C(C)[C@]2(C)O[C@]2(C)O[C@]2(C)O[C@]12C	ZINC000005964296	168086546	/nfs/dbraw/zinc/08/65/46/168086546.db2.gz	MAWVINHPBOZONV-IWDIQUIJSA-N	0	0	210.273	2.363	1	30		BEEFRN
CC1=C2C(=O)C[C@H](C)[C@@H]2C[C@@H]2[C@@H](C1)OC(=O)[C@H]2C	ZINC000049113206	168089268	/nfs/dbraw/zinc/08/92/68/168089268.db2.gz	JNXOQTZXOHWPCJ-LFUTUZGBSA-N	0	0	248.322	2.500	1	30		BEEFRN
CC1=C/C(=C\Cl)C(=O)[C@](C)(O)C12CC2	ZINC000025981006	168089879	/nfs/dbraw/zinc/08/98/79/168089879.db2.gz	VTHYDIXJWNNODI-PCGIRMHASA-N	0	0	212.676	2.169	1	30		BEEFRN
CC1=CC(=O)c2c(ccc3c2OCC=C3)C1=O	ZINC000169350649	168091985	/nfs/dbraw/zinc/09/19/85/168091985.db2.gz	AEDKBTFIJQUYOH-UHFFFAOYSA-N	0	0	226.231	2.418	1	30		BEEFRN
CN1CCC/C1=N\C(=O)Nc1cccc(F)c1	ZINC000095803655	173001873	/nfs/dbraw/zinc/00/18/73/173001873.db2.gz	NZXIWVYOGLYGKD-RVDMUPIBSA-N	0	0	235.262	2.482	1	30		BEEFRN
COc1cccc2c1C(=O)C=CC21OCCCO1	ZINC000026580043	175301104	/nfs/dbraw/zinc/30/11/04/175301104.db2.gz	BDLYXQXOWSONAU-UHFFFAOYSA-N	0	0	246.262	2.037	1	30		BEEFRN
C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@H](C)[C@H]1C=CC(=O)[C@]12C	ZINC000017060636	177195866	/nfs/dbraw/zinc/19/58/66/177195866.db2.gz	DVCXNIHYLQWNNZ-BAFIMQKQSA-N	0	0	248.322	2.355	1	30		BEEFRN
C=C(C)[C@@H]1Cc2c(c3ccccc3n(C)c2=O)O1	ZINC000005158360	560201004	/nfs/dbraw/zinc/20/10/04/560201004.db2.gz	DXOQSCPOXTUANK-ZDUSSCGKSA-N	0	0	241.290	2.418	1	30	biogenic,in-vitro	BEEFRN
C=C(C)[C@H]1CCc2c(c(C)cc(O)c(=O)c2O)C1	ZINC000014586295	560222503	/nfs/dbraw/zinc/22/25/03/560222503.db2.gz	XZCVMNQLRNHDOD-JTQLQIEISA-N	0	0	246.306	2.447	1	30	in-vitro	BEEFRN
C=C1C(=O)O[C@H]2C[C@]3(C)C[C@@H](O)C[C@H](C)C3=C[C@@H]12	ZINC000014452130	571708094	/nfs/dbraw/zinc/70/80/94/571708094.db2.gz	FZSKLHDEGWSLTB-WJNANMDESA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
C#CC#C[C@@H](O)/C=C/CCCCCCCCO	ZINC000014639197	571717200	/nfs/dbraw/zinc/71/72/00/571717200.db2.gz	KIIGQXVIHZSFAX-NRMKIYEFSA-N	0	0	234.339	2.263	1	30	endogenous,in-man	BEEFRN
C=C(C)[C@@H]1CCC2=C(C1)[C@H](C)[C@H](O)[C@H](O)C2	ZINC000062611939	574415364	/nfs/dbraw/zinc/41/53/64/574415364.db2.gz	XSCYYIVXGBKTOC-PJQZNRQZSA-N	0	0	222.328	2.421	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@@H]2C[C@]3(C)CC(=O)C[C@H](C)C3=C[C@@H]12	ZINC000085850055	574416813	/nfs/dbraw/zinc/41/68/13/574416813.db2.gz	DSTJGYCTYZXZNH-BUWBAVOPSA-N	0	0	246.306	2.420	1	30	endogenous,in-man	BEEFRN
Cc1ccc(/N=C2\C=CC(=O)O2)cc1C	ZINC000049019411	178359865	/nfs/dbraw/zinc/35/98/65/178359865.db2.gz	ZIQAGIIKWMARPE-ACCUITESSA-N	0	0	201.225	2.446	1	30		BEEFRN
COc1cc(/C=N/Cc2cccnc2)ccc1O	ZINC000005879782	342771254	/nfs/dbraw/zinc/77/12/54/342771254.db2.gz	RUXYHBIOGDXNDM-LZYBPNLTSA-N	0	0	242.278	2.415	1	30		BEEFRN
C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](O)C(=C)[C@@H]3C[C@H]12	ZINC000028537107	187372416	/nfs/dbraw/zinc/37/24/16/187372416.db2.gz	XIUXHZFELXEHSK-WPLOAARJSA-N	0	0	248.322	2.211	1	30		BEEFRN
C=C(CNNC(C)C)c1ccc(F)cc1	ZINC000019172474	188059068	/nfs/dbraw/zinc/05/90/68/188059068.db2.gz	ZJDCLXVLAISLQT-UHFFFAOYSA-N	0	0	208.280	2.342	1	30		BEEFRN
C=C[C@H]1CN(c2ccc(C(C)=O)cc2)C(=O)O1	ZINC000029404021	188059290	/nfs/dbraw/zinc/05/92/90/188059290.db2.gz	BZKQTBHYGKLUOE-LBPRGKRZSA-N	0	0	231.251	2.400	1	30		BEEFRN
CC1(C)C=CC2=C(O1)C(=O)c1ncccc1C2=O	ZINC000029124090	188110301	/nfs/dbraw/zinc/11/03/01/188110301.db2.gz	XZDXDUUHNHBSSQ-UHFFFAOYSA-N	0	0	241.246	2.080	1	30		BEEFRN
N#Cc1cccc(-c2ncn(-c3cccnc3)n2)c1	ZINC000103224484	188150995	/nfs/dbraw/zinc/15/09/95/188150995.db2.gz	ATFDJCYIQAIDAA-UHFFFAOYSA-N	0	0	247.261	2.201	1	30		BEEFRN
C=C1C(=O)O[C@@H](C)C[C@@H]1c1ccc2c(c1)OCO2	ZINC000045284769	188216510	/nfs/dbraw/zinc/21/65/10/188216510.db2.gz	OUSHYAOFOQSCAT-KWQFWETISA-N	0	0	246.262	2.391	1	30		BEEFRN
C=CCn1cc(C=O)c2c1cccc2C(=O)OC	ZINC000011919632	188225038	/nfs/dbraw/zinc/22/50/38/188225038.db2.gz	QJFRXRSUDVAHOR-UHFFFAOYSA-N	0	0	243.262	2.426	2	30		BEEFRN
C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]12O	ZINC000103278385	188225673	/nfs/dbraw/zinc/22/56/73/188225673.db2.gz	UYYIWUCJDJHZIF-PWNZVWSESA-N	0	0	246.306	2.132	1	30		BEEFRN
N#CCC(=O)c1c[nH]c2ccc(C#N)cc12	ZINC000169312591	181034445	/nfs/dbraw/zinc/03/44/45/181034445.db2.gz	JZNZZUQOMOIYDM-UHFFFAOYSA-N	0	0	209.208	2.136	1	30		BEEFRN
COc1ncc(C#Cc2ccc(C)cc2)cn1	ZINC000040974666	188574859	/nfs/dbraw/zinc/57/48/59/188574859.db2.gz	JNRHLPMAQYFDFO-UHFFFAOYSA-N	0	0	224.263	2.193	1	30		BEEFRN
NNC(=S)[C@@]1(c2ccccn2)CCCS1	ZINC000026724758	181185706	/nfs/dbraw/zinc/18/57/06/181185706.db2.gz	YUQAJZPJJYBFIR-JTQLQIEISA-N	0	0	239.369	2.006	1	30		BEEFRN
N=c1sc2ccccc2n1CCS	ZINC000006584277	181212196	/nfs/dbraw/zinc/21/21/96/181212196.db2.gz	FDXBMBDPQZQHPH-UHFFFAOYSA-N	0	0	210.327	2.112	1	30	aggregator	BEEFRN
O=C(CC12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2)NO	ZINC000095592300	181883343	/nfs/dbraw/zinc/88/33/43/181883343.db2.gz	XCEXDHZVHYDBFQ-LRSDLPTKSA-N	0	0	243.734	2.460	1	30		BEEFRN
Oc1c(C=Nc2nc[nH]n2)ccc2ccccc12	ZINC000013130610	183252581	/nfs/dbraw/zinc/25/25/81/183252581.db2.gz	KMKDBJRZLMJMIR-VGOFMYFVSA-N	0	0	238.250	2.414	1	30		BEEFRN
O=c1[nH][nH]cc1C=Nc1cc(Cl)ccc1O	ZINC000101758846	183273361	/nfs/dbraw/zinc/27/33/61/183273361.db2.gz	OFHRJTPTTRSISE-UUILKARUSA-N	0	0	237.646	2.225	1	30		BEEFRN
C#CCC#CCN/N=C/Cc1cccc(Cl)c1	ZINC000044430616	166113239	/nfs/dbraw/zinc/11/32/39/166113239.db2.gz	GKURHYVAOXUAHN-GZTJUZNOSA-N	0	0	244.725	2.485	1	30		BEEFRN
C#CC(C)(C)Oc1cccc(C(=O)OC)c1	ZINC000103176109	166114424	/nfs/dbraw/zinc/11/44/24/166114424.db2.gz	XSNFALRVIDBZBD-UHFFFAOYSA-N	0	0	218.252	2.264	1	30		BEEFRN
C#C[C@@H](O/C=C/C(=O)OC)c1ccccc1	ZINC000049784672	166214066	/nfs/dbraw/zinc/21/40/66/166214066.db2.gz	KTQQHSHQUAMJQV-BZYZDCJZSA-N	0	0	216.236	2.064	1	30		BEEFRN
C=CCN1C(=O)CN=C1Nc1cc(C)ccc1C	ZINC000020143021	166350993	/nfs/dbraw/zinc/35/09/93/166350993.db2.gz	SZPPCLHIMBSQHU-UHFFFAOYSA-N	0	0	243.310	2.100	3	30		BEEFRN
CC(C)(C)NC(=O)[C@@]1(/C=C/c2ccccc2)CO1	ZINC000072172336	166624351	/nfs/dbraw/zinc/62/43/51/166624351.db2.gz	WGSHTUPXXLCYMB-BOLDSZDNSA-N	0	0	245.322	2.384	1	30		BEEFRN
CC(C)[C@@H](C)NC(=O)[C@H](C#N)C(C)(C)C	ZINC000103179562	167379057	/nfs/dbraw/zinc/37/90/57/167379057.db2.gz	FYPOEIMSSSIZFZ-ZJUUUORDSA-N	0	0	210.321	2.333	1	30		BEEFRN
CC1=C/C(=C\Cl)C(=O)[C@@](C)(O)C12CC2	ZINC000025980998	168090355	/nfs/dbraw/zinc/09/03/55/168090355.db2.gz	VTHYDIXJWNNODI-QEHWCHDUSA-N	0	0	212.676	2.169	1	30		BEEFRN
CO/N=C1\c2ccoc2C(=O)c2ccccc21	ZINC000053296064	173492998	/nfs/dbraw/zinc/49/29/98/173492998.db2.gz	UQJPRNZRKGBFBE-KAMYIIQDSA-N	0	0	227.219	2.223	1	30		BEEFRN
COc1cc2cc(C(=O)NO)sc2cc1C	ZINC000096924292	175026197	/nfs/dbraw/zinc/02/61/97/175026197.db2.gz	WRLSRVMAOIUZCS-UHFFFAOYSA-N	0	0	237.280	2.337	1	30		BEEFRN
COc1ccc([C@@H](O)C2=CCCC2=O)cc1	ZINC000008689789	175180816	/nfs/dbraw/zinc/18/08/16/175180816.db2.gz	VUXSKTNXBJRYBH-CYBMUJFWSA-N	0	0	218.252	2.018	1	30		BEEFRN
COc1cc(O)cc(CC2=CC(=O)C[C@@H](C)O2)c1	ZINC000013397964	560104243	/nfs/dbraw/zinc/10/42/43/560104243.db2.gz	WMCPLZDBHVOXCJ-SECBINFHSA-N	0	0	248.278	2.205	1	30	endogenous,in-man	BEEFRN
C=C1C[C@@H]2C(=C(CO)C13CC3)CC(C)(C)[C@@H]2O	ZINC000014516048	571711748	/nfs/dbraw/zinc/71/17/48/571711748.db2.gz	ZVWRQSVBGORCLN-ZWNOBZJWSA-N	0	0	234.339	2.422	1	30	endogenous,in-man	BEEFRN
Cc1cc(O)c(C=NNc2ccccc2)c(=O)o1	ZINC000008670321	178193943	/nfs/dbraw/zinc/19/39/43/178193943.db2.gz	MFCAPTDVCVBYBD-RIYZIHGNSA-N	0	0	244.250	2.100	1	30		BEEFRN
Cc1cc([C@@H](C#N)c2ccccc2)n2ncnc2n1	ZINC000001350911	178220772	/nfs/dbraw/zinc/22/07/72/178220772.db2.gz	XAIXXRRMUITDRQ-LBPRGKRZSA-N	0	0	249.277	2.088	3	30		BEEFRN
Cc1cc2nc(N(N)CCC#N)oc2cc1C	ZINC000029417256	178302407	/nfs/dbraw/zinc/30/24/07/178302407.db2.gz	UOSSYHRPJXNXKG-UHFFFAOYSA-N	0	0	230.271	2.038	1	30		BEEFRN
Cc1ccc(-c2cc(NC(=O)CS)n[nH]2)cc1	ZINC000040421882	178321007	/nfs/dbraw/zinc/32/10/07/178321007.db2.gz	MBFGEWVMHVCXLX-UHFFFAOYSA-N	0	0	247.323	2.253	1	30		BEEFRN
CC(C)=CC(=O)Cc1nc2ccccc2[nH]c1=O	ZINC000005316624	342762033	/nfs/dbraw/zinc/76/20/33/342762033.db2.gz	COXHDMLJGXAGPI-UHFFFAOYSA-N	0	0	242.278	2.001	1	30		BEEFRN
C(#Cc1ccc2nccn2n1)c1ccccc1	ZINC000585144797	343880146	/nfs/dbraw/zinc/88/01/46/343880146.db2.gz	GKWYFYVDOZEMFY-UHFFFAOYSA-N	0	0	219.247	2.129	2	30		BEEFRN
C(#Cc1cccc2ncccc12)Cn1ccnc1	ZINC000585145143	344179960	/nfs/dbraw/zinc/17/99/60/344179960.db2.gz	DXPSNUPNSSQFBI-UHFFFAOYSA-N	0	0	233.274	2.483	2	30		BEEFRN
CC(C)(C)c1ccc(C#CCn2ccnc2)nn1	ZINC000585145324	344180453	/nfs/dbraw/zinc/18/04/53/344180453.db2.gz	NFSKQLJTBBZHMM-UHFFFAOYSA-N	0	0	240.310	2.022	2	30		BEEFRN
Cc1cccc(Nc2ncccc2C#N)n1	ZINC000028527599	179160326	/nfs/dbraw/zinc/16/03/26/179160326.db2.gz	CVOSVEMBDIJNPH-UHFFFAOYSA-N	0	0	210.240	2.400	1	30		BEEFRN
C=C(C)n1c2ccccc2n(C(=O)CC)c1=O	ZINC000103207655	187537019	/nfs/dbraw/zinc/53/70/19/187537019.db2.gz	IRXZLLGOVVDNPE-UHFFFAOYSA-N	0	0	230.267	2.344	1	30		BEEFRN
C=C(C(=O)c1ccccc1)n1ccccc1=O	ZINC000029317607	188098966	/nfs/dbraw/zinc/09/89/66/188098966.db2.gz	LDNZAPNVHAYNIT-UHFFFAOYSA-N	0	0	225.247	2.202	1	30		BEEFRN
Cn1sc(Nc2ccccc2)c(C#N)c1=O	ZINC000040764293	180876813	/nfs/dbraw/zinc/87/68/13/180876813.db2.gz	PSFNLRAKDVOACZ-UHFFFAOYSA-N	0	0	231.280	2.062	1	30		BEEFRN
C/C=C\C(=O)C[C@@H]1CC[C@@H](C)[C@@H](CCO)O1	ZINC000169340601	188161492	/nfs/dbraw/zinc/16/14/92/188161492.db2.gz	SKIHOAMJMCTWBD-SLRKPQROSA-N	0	0	226.316	2.088	1	30		BEEFRN
CC(=O)[C@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1	ZINC000096908775	188148331	/nfs/dbraw/zinc/14/83/31/188148331.db2.gz	OQDPINWRWLARPI-UBHSHLNASA-N	0	0	236.311	2.032	1	30		BEEFRN
Cc1cccc(C#Cc2cnc(C)nc2)c1	ZINC000040428912	188216038	/nfs/dbraw/zinc/21/60/38/188216038.db2.gz	PBEVJLYJBRNPGW-UHFFFAOYSA-N	0	0	208.264	2.493	1	30		BEEFRN
Fc1ccccc1C#Cc1nnn2c1CCCC2	ZINC000096908063	181010178	/nfs/dbraw/zinc/01/01/78/181010178.db2.gz	ONZQMBXEUCXUMP-UHFFFAOYSA-N	0	0	241.269	2.153	1	30		BEEFRN
N#CCn1nnc2cc3cccnc3c(Cl)c21	ZINC000073220441	181053301	/nfs/dbraw/zinc/05/33/01/181053301.db2.gz	HMKPREVDQCCVHI-UHFFFAOYSA-N	0	0	243.657	2.156	1	30		BEEFRN
N#Cc1c[nH]c(-c2nccn2-c2ccccc2)n1	ZINC000040698467	181079275	/nfs/dbraw/zinc/07/92/75/181079275.db2.gz	GPFNYCRNDQHHMY-UHFFFAOYSA-N	0	0	235.250	2.134	1	30		BEEFRN
N#Cc1cccc(-c2cccc(-c3nn[nH]n3)c2)c1	ZINC000084689035	181133696	/nfs/dbraw/zinc/13/36/96/181133696.db2.gz	SPYYLXWVVCYEME-UHFFFAOYSA-N	0	0	247.261	2.405	1	30		BEEFRN
[O-]/N=C/c1cccc[n+]1CCc1ccccc1	ZINC000040980840	181826799	/nfs/dbraw/zinc/82/67/99/181826799.db2.gz	BJFDKASOIXIWDM-UHFFFAOYSA-O	0	0	227.287	2.025	1	30		BEEFRN
O=C(/C=C/c1cccc2ccccc12)NO	ZINC000028896863	181839866	/nfs/dbraw/zinc/83/98/66/181839866.db2.gz	AOXOYUCWJCCUDO-CMDGGOBGSA-N	0	0	213.236	2.358	1	30	in-vivo	BEEFRN
O=C(OC1=CC(=O)CCC1)c1ccccc1	ZINC000000391471	182714181	/nfs/dbraw/zinc/71/41/81/182714181.db2.gz	OBDRHMVLOOMVQK-UHFFFAOYSA-N	0	0	216.236	2.480	1	30		BEEFRN
O=C1NCCc2cc(C#Cc3ccccc3)ccc21	ZINC000066097966	182809107	/nfs/dbraw/zinc/80/91/07/182809107.db2.gz	BOVJHNHRQNCDEQ-UHFFFAOYSA-N	0	0	247.297	2.372	1	30	in-vitro	BEEFRN
O=[S@]1CCCC[C@]1(CS)c1cccnc1	ZINC000013651024	182964310	/nfs/dbraw/zinc/96/43/10/182964310.db2.gz	BZOVSACDTHKALK-XHDPSFHLSA-N	0	0	241.381	2.139	1	30		BEEFRN
O=c1[nH]c2ccccc2nc1N=NC1CCCC1	ZINC000045369442	182976041	/nfs/dbraw/zinc/97/60/41/182976041.db2.gz	BMGLBSQNRROPTH-UHFFFAOYSA-N	0	0	242.282	2.265	1	30		BEEFRN
Cc1cc(C#Cc2ccccc2)cc(=O)o1	ZINC000027103230	177724307	/nfs/dbraw/zinc/72/43/07/177724307.db2.gz	NWTHBCFWDMBJDA-UHFFFAOYSA-N	0	0	210.232	2.348	1	30		BEEFRN
C#CCn1ccc(OCc2ccccc2)cc1=O	ZINC000029047642	166207493	/nfs/dbraw/zinc/20/74/93/166207493.db2.gz	RYMMYIKJVZTFPY-UHFFFAOYSA-N	0	0	239.274	2.061	1	30		BEEFRN
C=CCN1Sc2ccccc2[S@@]1=O	ZINC000005852423	166362006	/nfs/dbraw/zinc/36/20/06/166362006.db2.gz	WMBPWLZPWHTOLE-CYBMUJFWSA-N	0	0	211.311	2.218	1	30		BEEFRN
Cc1ccc2c3c1C(=O)C(=O)C(C)=C3OCC2	ZINC000028364966	168091485	/nfs/dbraw/zinc/09/14/85/168091485.db2.gz	LVDJCCWQOQWPKZ-UHFFFAOYSA-N	0	0	228.247	2.064	1	30		BEEFRN
COc1cc2c(cc1OC)/C(=C/C(C)=O)OC2	ZINC000095569588	175023909	/nfs/dbraw/zinc/02/39/09/175023909.db2.gz	SJEROJOWFJETHZ-WCIBSUBMSA-N	0	0	234.251	2.164	3	30		BEEFRN
COc1ccc(NN=C2C(C)=NN=C2C)cc1	ZINC000102978602	175153240	/nfs/dbraw/zinc/15/32/40/175153240.db2.gz	SLRTZIBPHTUJGI-UHFFFAOYSA-N	0	0	230.271	2.314	3	30		BEEFRN
C[C@@H]1[C@H]2CC(=O)C(=O)[C@H](C2=O)[C@@H]1c1ccccc1	ZINC000102960453	176503910	/nfs/dbraw/zinc/50/39/10/176503910.db2.gz	DVPJMMIMWMZLBX-JBYGLJPXSA-N	0	0	242.274	2.246	1	30		BEEFRN
C[C@@H](C=O)C1=C[C@@]2(C)C(=CC1=O)[C@H](O)CC[C@@H]2C	ZINC000028973286	177194371	/nfs/dbraw/zinc/19/43/71/177194371.db2.gz	VPFADTWMSCOYGD-UOJCWERNSA-N	0	0	248.322	2.054	1	30		BEEFRN
CC(=O)C1=C[C@]23OC(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@H]3C1	ZINC000095099164	560062673	/nfs/dbraw/zinc/06/26/73/560062673.db2.gz	VFLOLBPOQXTIRV-GQWGITQZSA-N	0	0	248.322	2.500	1	30	biogenic,in-vitro	BEEFRN
C=C1C(=O)CC(CC=C(C)C)C(=O)C1=O	ZINC000085882573	560065988	/nfs/dbraw/zinc/06/59/88/560065988.db2.gz	ZWBAUTGNDSDRLF-UHFFFAOYSA-N	0	0	206.241	2.253	1	30	biogenic,in-vitro	BEEFRN
C=C1CC=C[C@]2(C)C[C@]3(O)OC(=O)[C@H](C)C3=C[C@@H]12	ZINC000049031861	560083884	/nfs/dbraw/zinc/08/38/84/560083884.db2.gz	BCKDXTZTXHTKQP-BVIHXZOGSA-N	0	0	246.306	2.337	1	30	biogenic,in-vitro	BEEFRN
C=C1CC[C@H]2C(=C)[C@H](O)C[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12	ZINC000014453938	571708660	/nfs/dbraw/zinc/70/86/60/571708660.db2.gz	NMUKFBVCUMTQOB-GUDWOMEESA-N	0	0	248.322	2.067	1	30	endogenous,in-man	BEEFRN
CC#Cc1ccc(CCC(=O)OC)s1	ZINC000014680563	571718635	/nfs/dbraw/zinc/71/86/35/571718635.db2.gz	UOKDPAAQNNWFSY-UHFFFAOYSA-N	0	0	208.282	2.225	1	30	endogenous,in-man	BEEFRN
COC(=O)/C=C/C#Cc1ccc(C)s1	ZINC000014593523	574413568	/nfs/dbraw/zinc/41/35/68/574413568.db2.gz	OZOCRDZZSOSJCJ-GQCTYLIASA-N	0	0	206.266	2.137	1	30	endogenous,in-man	BEEFRN
Cc1cc2sc(C(=O)NO)cc2cc1O	ZINC000096924293	178306580	/nfs/dbraw/zinc/30/65/80/178306580.db2.gz	CFBYXRJSPSMTKX-UHFFFAOYSA-N	0	0	223.253	2.034	1	30		BEEFRN
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@H]1C=CC(=O)[C@@]21C	ZINC000014620098	187415371	/nfs/dbraw/zinc/41/53/71/187415371.db2.gz	IFXGCKRDLITNAU-PIXFTKHJSA-N	0	0	246.306	2.276	1	30		BEEFRN
C=C[C@]1(CC)/C(=N\O)C(CC)(CC)C(=O)N1O	ZINC000017196175	187416441	/nfs/dbraw/zinc/41/64/41/187416441.db2.gz	IRSVLDUDCDYSRS-VWLVURMCSA-N	0	0	240.303	2.189	1	30		BEEFRN
Cc1nn(-c2ccccc2F)cc1C#N	ZINC000096938395	180330825	/nfs/dbraw/zinc/33/08/25/180330825.db2.gz	WGBCSBQRBABSLK-UHFFFAOYSA-N	0	0	201.204	2.192	1	30		BEEFRN
Cc1nn(C)c(CCc2ccccc2)c1C#N	ZINC000049088469	180348331	/nfs/dbraw/zinc/34/83/31/180348331.db2.gz	VQHZOERTBHLWNV-UHFFFAOYSA-N	0	0	225.295	2.385	1	30		BEEFRN
C=C(C)[C@@H]1CCc2c(c(C)cc(O)c(=O)c2O)C1	ZINC000014586293	187741226	/nfs/dbraw/zinc/74/12/26/187741226.db2.gz	XZCVMNQLRNHDOD-SNVBAGLBSA-N	0	0	246.306	2.447	1	30		BEEFRN
C/C(=N\C#N)N(C)Cc1cnc(Cl)s1	ZINC000033979017	187766835	/nfs/dbraw/zinc/76/68/35/187766835.db2.gz	RKFXZRRJPRUWET-WUXMJOGZSA-N	0	0	228.708	2.128	1	30		BEEFRN
CC(C)=CC(=O)C[C@@H]1C(=O)O[C@H]2CCC[C@@H]12	ZINC000026751545	188110255	/nfs/dbraw/zinc/11/02/55/188110255.db2.gz	FRPFDONKAHIRLY-SRVKXCTJSA-N	0	0	222.284	2.254	1	30		BEEFRN
C=C1C(=O)O[C@H](c2ccc(OC)cc2)[C@@H]1C	ZINC000040402485	188215604	/nfs/dbraw/zinc/21/56/04/188215604.db2.gz	JROMYRDSGVZCRC-PELKAZGASA-N	0	0	218.252	2.485	1	30		BEEFRN
C=C1[C@H](O)[C@H]2C[C@](C)(CO)CC2=C(C)C12CC2	ZINC000096900508	188223408	/nfs/dbraw/zinc/22/34/08/188223408.db2.gz	XUXXDJLUAMCRLH-MELADBBJSA-N	0	0	234.339	2.422	1	30		BEEFRN
CNC(=S)[C@@]1(c2cccnc2)CCCCC1=O	ZINC000003795156	188457041	/nfs/dbraw/zinc/45/70/41/188457041.db2.gz	PYJPFPWAYOYUMI-CYBMUJFWSA-N	0	0	248.351	2.421	1	30		BEEFRN
N#CC1(C#N)[C@H]2C=C[C@H]([C@@H]3C=CC[C@@H]32)C1(C#N)C#N	ZINC000001664463	181027664	/nfs/dbraw/zinc/02/76/64/181027664.db2.gz	CYSTZUCLHDKJNU-XQHKEYJVSA-N	0	0	246.273	2.062	1	30		BEEFRN
N#CC1(C#N)[C@H]2C=C[C@H]([C@H]3CC=C[C@H]32)C1(C#N)C#N	ZINC000016999494	181027915	/nfs/dbraw/zinc/02/79/15/181027915.db2.gz	CYSTZUCLHDKJNU-MROQNXINSA-N	0	0	246.273	2.062	1	30		BEEFRN
N#Cc1cccc(OCCCc2c[nH]cn2)c1	ZINC000013580341	181142756	/nfs/dbraw/zinc/14/27/56/181142756.db2.gz	VHTRCEDLWZJNFZ-UHFFFAOYSA-N	0	0	227.267	2.293	1	30		BEEFRN
N/N=C/Cc1ccccc1C(F)(F)F	ZINC000103206642	181185651	/nfs/dbraw/zinc/18/56/51/181185651.db2.gz	RYOODZAZILIYRO-MKMNVTDBSA-N	0	0	202.179	2.192	1	30		BEEFRN
NC(=O)[C@]1(c2ccccc2)O[C@H]1c1ccccc1	ZINC000005490039	181286232	/nfs/dbraw/zinc/28/62/32/181286232.db2.gz	WMXYUOSHVXGIIN-DZGCQCFKSA-N	0	0	239.274	2.139	3	30		BEEFRN
CCCN1CCO[C@@H](c2ccc(O)c(C#N)c2)C1	ZINC000028957458	169204331	/nfs/dbraw/zinc/20/43/31/169204331.db2.gz	ZNLXXODVWATRGR-CQSZACIVSA-N	0	0	246.310	2.047	1	30		BEEFRN
CCC[C@@H](O)C#CCOCc1ccccc1	ZINC000073198199	169404634	/nfs/dbraw/zinc/40/46/34/169404634.db2.gz	AGHVCYVFRKPETR-CQSZACIVSA-N	0	0	218.296	2.368	1	30		BEEFRN
CC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H](OC(=O)[C@H]3C)[C@H]12	ZINC000000113346	168090894	/nfs/dbraw/zinc/09/08/94/168090894.db2.gz	BJPSSVHNEGMBDQ-DUBDDPSESA-N	0	0	246.306	2.420	1	30		BEEFRN
CC1=CC(=O)CC[C@@]2(C)[C@@H](OC=O)CC[C@@H]12	ZINC000102969719	168091010	/nfs/dbraw/zinc/09/10/10/168091010.db2.gz	GNWMWSKEAPGFAI-RWMBFGLXSA-N	0	0	222.284	2.254	1	30		BEEFRN
CC1=NC2=CCC3=C(C(=O)C=CC3)N2S1	ZINC000101977847	168132666	/nfs/dbraw/zinc/13/26/66/168132666.db2.gz	UGZGIWMUTJSDMP-LLVKDONJSA-N	0	0	218.281	2.048	1	30		BEEFRN
CN(/N=C/c1cccc2ccccc12)C(N)=S	ZINC000082158257	172292648	/nfs/dbraw/zinc/29/26/48/172292648.db2.gz	GMIIOFMRDOKWMH-OQLLNIDSSA-N	0	0	243.335	2.349	1	30		BEEFRN
COc1cc2c(cc1OC)C(=O)C(C)=CC2=O	ZINC000073159018	175023321	/nfs/dbraw/zinc/02/33/21/175023321.db2.gz	OBUBPDVUFFFDOK-UHFFFAOYSA-N	0	0	232.235	2.029	1	30		BEEFRN
COc1nc(C)nc(/N=C/c2ccc(C)cc2)n1	ZINC000096932890	175391384	/nfs/dbraw/zinc/39/13/84/175391384.db2.gz	UOQCSGVKZCBRNF-RIYZIHGNSA-N	0	0	242.282	2.248	1	30		BEEFRN
COc1cc(O)cc(CC2=CC(=O)C[C@H](C)O2)c1	ZINC000013397968	560104311	/nfs/dbraw/zinc/10/43/11/560104311.db2.gz	WMCPLZDBHVOXCJ-VIFPVBQESA-N	0	0	248.278	2.205	1	30	endogenous,in-man	BEEFRN
C=C1C(=O)O[C@H]2C[C@@]3(C)C(=C[C@@H]12)[C@@H](C)CC[C@H]3O	ZINC000014452583	571708633	/nfs/dbraw/zinc/70/86/33/571708633.db2.gz	FRNIMDDQCZHAFA-FJKOOJNLSA-N	0	0	248.322	2.211	1	30	endogenous,in-man	BEEFRN
CC1=CC(=O)[C@H]2[C@H]1[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@H]2C	ZINC000006031130	571691160	/nfs/dbraw/zinc/69/11/60/571691160.db2.gz	FJKWKEZAHVWIOR-FHVIRTPXSA-N	0	0	248.322	2.355	1	30	endogenous,in-man	BEEFRN
CC1=CC(=O)[C@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@H]1CC[C@H]2C	ZINC000033830101	574414112	/nfs/dbraw/zinc/41/41/12/574414112.db2.gz	FJKWKEZAHVWIOR-FIWPHQPNSA-N	0	0	248.322	2.355	1	30	endogenous,in-man	BEEFRN