smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=CC[C@H]2C(C)=CC[C@H](C(C)C)[C@@H]2C1	ZINC000000968462	168121645	/nfs/dbraw/zinc/12/16/45/168121645.db2.gz	USDOQCCMRDNVAH-ILXRZTDVSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
S=c1sc2sc(=S)sc2s1	ZINC000001620244	183315680	/nfs/dbraw/zinc/31/56/80/183315680.db2.gz	RWDHIJIIQNLPPG-UHFFFAOYSA-N	0	0	240.446	4.545	1	0		BJAFRN
CC1=C2C[C@H]3CC[C@H](C)[C@]2(CC1)C3(C)C	ZINC000001729385	560184459	/nfs/dbraw/zinc/18/44/59/560184459.db2.gz	RTBLDXVIGWSICW-ZOWXZIJZSA-N	0	0	204.357	4.559	1	0	biogenic,in-vitro	BJAFRN
CC1=CC[C@H]2C[C@@H]1[C@H](c1ccccc1)OC2(C)C	ZINC000002476713	168121441	/nfs/dbraw/zinc/12/14/41/168121441.db2.gz	HYCLRIZMLWDFJW-JYJNAYRXSA-N	0	0	242.362	4.509	1	0		BJAFRN
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccccc1)OC2(C)C	ZINC000004094055	168120852	/nfs/dbraw/zinc/12/08/52/168120852.db2.gz	HYCLRIZMLWDFJW-OAGGEKHMSA-N	0	0	242.362	4.509	1	0		BJAFRN
CC(C)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(O)cc2)C1	ZINC000004213768	187246893	/nfs/dbraw/zinc/24/68/93/187246893.db2.gz	NMXDTPBZWZGMMO-XPKDYRNWSA-N	0	0	232.367	4.568	1	0	in-man	BJAFRN
CC(C)[C@@H]1CC[C@H](C)[C@@H](c2ccc(O)cc2)C1	ZINC000004428997	188276883	/nfs/dbraw/zinc/27/68/83/188276883.db2.gz	NMXDTPBZWZGMMO-BJJXKVORSA-N	0	0	232.367	4.568	1	0	in-man	BJAFRN
Cc1cc(C(C)C)nc2c1cccc2C(C)C	ZINC000005930801	177830282	/nfs/dbraw/zinc/83/02/82/177830282.db2.gz	MMEBQUCAQPLLRS-UHFFFAOYSA-N	0	0	227.351	4.790	1	0		BJAFRN
COc1ccc(-c2csc3ccccc23)cc1	ZINC000006646864	175037708	/nfs/dbraw/zinc/03/77/08/175037708.db2.gz	HULPPSASFRRIEG-UHFFFAOYSA-N	0	0	240.327	4.577	1	0		BJAFRN
O=C1CCC/C=C\CCCCCCCCC1	ZINC000013429707	290802575	/nfs/dbraw/zinc/80/25/75/290802575.db2.gz	RSLTVQQROJUNCD-ALCCZGGFSA-N	0	0	222.372	4.807	1	0	biogenic,in-vitro	BJAFRN
Cc1ccc(/C=C2\CCCc3cc(C)cnc32)cc1	ZINC000013602662	178355636	/nfs/dbraw/zinc/35/56/36/178355636.db2.gz	AFJBQBGKQJXPOH-GZTJUZNOSA-N	0	0	249.357	4.575	1	0		BJAFRN
C/C1=C/CC(C)(C)/C=C\C[C@@]2(C)S[C@@H]2CC1	ZINC000014441668	574413386	/nfs/dbraw/zinc/41/33/86/574413386.db2.gz	RNAZTWUZAUOIKC-SGRRRNBRSA-N	0	0	236.424	4.963	1	0	endogenous,in-man	BJAFRN
C/C1=C/CC(C)(C)/C=C\C[C@]2(C)S[C@@H]2CC1	ZINC000014441672	574413383	/nfs/dbraw/zinc/41/33/83/574413383.db2.gz	RNAZTWUZAUOIKC-KDYBSOQRSA-N	0	0	236.424	4.963	1	0	endogenous,in-man	BJAFRN
C/C1=C/CC(C)(C)[C@@H]2S[C@@H]2C/C(C)=C\CC1	ZINC000014441676	574413390	/nfs/dbraw/zinc/41/33/90/574413390.db2.gz	SVXFQANDXQPHJI-ORJOWIHJSA-N	0	0	236.424	4.963	1	0	endogenous,in-man	BJAFRN
C/C1=C/CC(C)(C)[C@H]2S[C@@H]2C/C(C)=C\CC1	ZINC000014441678	574413378	/nfs/dbraw/zinc/41/33/78/574413378.db2.gz	SVXFQANDXQPHJI-LNBUSUGRSA-N	0	0	236.424	4.963	1	0	endogenous,in-man	BJAFRN
C/C1=C/CC(C)(C)[C@@H]2S[C@H]2C/C(C)=C\CC1	ZINC000014441680	574413416	/nfs/dbraw/zinc/41/34/16/574413416.db2.gz	SVXFQANDXQPHJI-QEPUISRGSA-N	0	0	236.424	4.963	1	0	endogenous,in-man	BJAFRN
C/C1=C/CC(C)(C)[C@H]2S[C@H]2C/C(C)=C\CC1	ZINC000014441682	574413420	/nfs/dbraw/zinc/41/34/20/574413420.db2.gz	SVXFQANDXQPHJI-MEUWTIKNSA-N	0	0	236.424	4.963	1	0	endogenous,in-man	BJAFRN
CCCC/C=C/CCC/C=C/CCCCO	ZINC000014639011	571717262	/nfs/dbraw/zinc/71/72/62/571717262.db2.gz	KKBFAANQNYGLKU-RINXSNKBSA-N	0	0	224.388	4.622	1	0	endogenous,in-man	BJAFRN
Oc1c(/C=C\c2ccccc2)ccc2ccccc12	ZINC000027197932	183252975	/nfs/dbraw/zinc/25/29/75/183252975.db2.gz	SSGQQSMOTPMSLA-KHPPLWFESA-N	0	0	246.309	4.716	1	0		BJAFRN
S=c1[nH]c(-c2ccccc2)cc2ccccc21	ZINC000027520852	183313997	/nfs/dbraw/zinc/31/39/97/183313997.db2.gz	HRVNMEXUWJHJCY-UHFFFAOYSA-N	0	0	237.327	4.564	1	0		BJAFRN
Oc1cccc(/C=C\c2ccc3ccccc3c2)c1	ZINC000028113083	183288163	/nfs/dbraw/zinc/28/81/63/183288163.db2.gz	DXXAGMALIAFQKQ-HJWRWDBZSA-N	0	0	246.309	4.716	1	0		BJAFRN
S=c1ssc2c1CCCCCCCC2	ZINC000028128708	183315646	/nfs/dbraw/zinc/31/56/46/183315646.db2.gz	ORQSQHCYUZFNJM-UHFFFAOYSA-N	0	0	244.450	4.978	1	0		BJAFRN
CCSc1cc(-c2ccc(F)cc2)cs1	ZINC000028360442	170653780	/nfs/dbraw/zinc/65/37/80/170653780.db2.gz	QHJKABXJCMOMKJ-UHFFFAOYSA-N	0	0	238.352	4.666	1	0		BJAFRN
CC1(C)C=Cc2cc(-c3ccccc3)ccc2O1	ZINC000028873280	187255768	/nfs/dbraw/zinc/25/57/68/187255768.db2.gz	DUQLGXOYHFFGOP-UHFFFAOYSA-N	0	0	236.314	4.538	1	0		BJAFRN
C1=CC(=C2C=CNc3ccccc32)c2ccccc21	ZINC000037865918	188289568	/nfs/dbraw/zinc/28/95/68/188289568.db2.gz	VXGJCEDISBBVAL-FOCLMDBBSA-N	0	0	243.309	4.563	1	0		BJAFRN
CCCCOc1ccc(Oc2ccccc2)cc1	ZINC000040412005	187263330	/nfs/dbraw/zinc/26/33/30/187263330.db2.gz	NSCFOXCKETUFMF-UHFFFAOYSA-N	0	0	242.318	4.658	1	0	in-vivo	BJAFRN
CC/C=C\C/C=C\C/C=C\CCCC(C)=O	ZINC000040833701	167857939	/nfs/dbraw/zinc/85/79/39/167857939.db2.gz	CDLUQRUBQHRFDS-YSTUJMKBSA-N	0	0	220.356	4.605	1	0	biogenic,in-vitro	BJAFRN
c1csc(-c2cccc(-c3ccsc3)n2)c1	ZINC000040981179	183329069	/nfs/dbraw/zinc/32/90/69/183329069.db2.gz	QKRNJFRIHXLPQX-UHFFFAOYSA-N	0	0	243.356	4.539	1	0		BJAFRN
Fc1ccccc1Nc1csc2ccccc12	ZINC000042966066	181014484	/nfs/dbraw/zinc/01/44/84/181014484.db2.gz	PWJGQNJODBBPTQ-UHFFFAOYSA-N	0	0	243.306	4.784	1	0		BJAFRN
C[C@@H](c1ccccc1)C1=CC[C@@H](C)CC1	ZINC000043334970	187267071	/nfs/dbraw/zinc/26/70/71/187267071.db2.gz	LPBRLBZDZKBAQG-OLZOCXBDSA-N	0	0	200.325	4.537	1	0		BJAFRN
C[C@H](c1ccccc1)C1=CC[C@H](C)CC1	ZINC000043334972	175632262	/nfs/dbraw/zinc/63/22/62/175632262.db2.gz	LPBRLBZDZKBAQG-QWHCGFSZSA-N	0	0	200.325	4.537	1	0		BJAFRN
C[C@H]1CC=C(Cc2ccc(Cl)cc2)CC1	ZINC000043335104	188295390	/nfs/dbraw/zinc/29/53/90/188295390.db2.gz	PAPUBFCFJFUHEO-NSHDSACASA-N	0	0	220.743	4.629	1	0		BJAFRN
CC1=C(C)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1	ZINC000049088596	168086553	/nfs/dbraw/zinc/08/65/53/168086553.db2.gz	VSURQKXDWDMWKL-DZGCQCFKSA-N	0	0	206.373	4.949	1	0		BJAFRN
CC1=CC[C@H]([C@@H](C)CCNc2ccccc2)CC1	ZINC000049112900	168121284	/nfs/dbraw/zinc/12/12/84/168121284.db2.gz	FOXJRCHYSMXELS-HOTGVXAUSA-N	0	0	243.394	4.871	1	0		BJAFRN
CC1=CC[C@H]([C@H](C)CCNc2ccccc2)CC1	ZINC000049112901	168121410	/nfs/dbraw/zinc/12/14/10/168121410.db2.gz	FOXJRCHYSMXELS-CVEARBPZSA-N	0	0	243.394	4.871	1	0		BJAFRN
CC1=C[C@@H]2C(=CC1)[C@H](C)CC[C@H]2C(C)C	ZINC000059585738	560083153	/nfs/dbraw/zinc/08/31/53/560083153.db2.gz	JUQGWBAOQUBVFP-IPYPFGDCSA-N	0	0	204.357	4.581	1	0	biogenic,in-vitro	BJAFRN
CC(C)C1=C[C@]2(C)[C@@H](C)CCC[C@H]2CC1	ZINC000059585926	290800891	/nfs/dbraw/zinc/80/08/91/290800891.db2.gz	VKYRKFJTSUKOCO-AEGPPILISA-N	0	0	206.373	4.805	1	0	biogenic,in-vitro	BJAFRN
CC1=CCC[C@@]2(C)CC[C@@H]3C(C)(C)C[C@]132	ZINC000059588754	290801588	/nfs/dbraw/zinc/80/15/88/290801588.db2.gz	WHXUZXDWQKUIJL-SNPRPXQTSA-N	0	0	204.357	4.559	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@]2(C)CCCC(C)(C)[C@@]23C[C@@]13C	ZINC000059588906	560082445	/nfs/dbraw/zinc/08/24/45/560082445.db2.gz	QGDZOKASXMEHBY-JYJNAYRXSA-N	0	0	218.384	4.949	1	0	biogenic,in-vitro	BJAFRN
CC1=CCC(C(C)C)=C2C[C@@H](C)CC[C@@H]12	ZINC000059589317	290801579	/nfs/dbraw/zinc/80/15/79/290801579.db2.gz	LAUBIPMAHWWWQK-FZMZJTMJSA-N	0	0	204.357	4.725	1	0	biogenic,in-vitro	BJAFRN
CC1=C2C=C(C(C)C)CC[C@]2(C)CCC1	ZINC000059778407	290801009	/nfs/dbraw/zinc/80/10/09/290801009.db2.gz	VEGYMPQCXPVQJY-HNNXBMFYSA-N	0	0	204.357	4.869	1	0	biogenic,in-vitro	BJAFRN
COc1c(Nc2ccccc2)ccc2ccccc21	ZINC000060329762	188302769	/nfs/dbraw/zinc/30/27/69/188302769.db2.gz	BSFRWDZZRGFYNV-UHFFFAOYSA-N	0	0	249.313	4.592	1	0		BJAFRN
CC(C)=CCC[C@H](C)[C@H]1C=CC(C)=CC1	ZINC000062233810	571771374	/nfs/dbraw/zinc/77/13/74/571771374.db2.gz	KKOXKGNSUHTUBV-GJZGRUSLSA-N	0	0	204.357	4.891	1	0	endogenous,in-man	BJAFRN
CC1=CC=C([C@@]2(C)CCCC2(C)C)CC1	ZINC000062237768	290801577	/nfs/dbraw/zinc/80/15/77/290801577.db2.gz	DYQFFTPJVWEYMH-OAHLLOKOSA-N	0	0	204.357	4.869	1	0	biogenic,in-vitro	BJAFRN
C[C@@H]1CCC[C@H](C)[C@@H]2CC(C)(C)[C@@H]2CC1	ZINC000064624179	177113662	/nfs/dbraw/zinc/11/36/62/177113662.db2.gz	SITKOPDZOGHVLY-ZOBORPQBSA-N	0	0	208.389	4.885	1	0	in-vitro	BJAFRN
C[C@H]1CCC[C@H](C)[C@@H]2CC(C)(C)[C@@H]2CC1	ZINC000064624180	177132705	/nfs/dbraw/zinc/13/27/05/177132705.db2.gz	SITKOPDZOGHVLY-XDQVBPFNSA-N	0	0	208.389	4.885	1	0	in-vitro	BJAFRN
C[C@@H]1CCC[C@@H](C)[C@@H]2CC(C)(C)[C@@H]2CC1	ZINC000064624182	176115985	/nfs/dbraw/zinc/11/59/85/176115985.db2.gz	SITKOPDZOGHVLY-YIYPIFLZSA-N	0	0	208.389	4.885	1	0	in-vitro	BJAFRN
C[C@@H]1CCC[C@H](C)CC[C@@H]2[C@H]1CC2(C)C	ZINC000064624184	177118522	/nfs/dbraw/zinc/11/85/22/177118522.db2.gz	SITKOPDZOGHVLY-RFQIPJPRSA-N	0	0	208.389	4.885	1	0	in-vitro	BJAFRN
CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)C[C@@H]12	ZINC000064624187	290800886	/nfs/dbraw/zinc/80/08/86/290800886.db2.gz	FZZNNPQZDRVKLU-YTFOTSKYSA-N	0	0	208.389	4.741	1	0	biogenic,in-vitro	BJAFRN
CC(C)[C@H]1CCC2(C1)[C@H](C)CCC[C@H]2C	ZINC000064624244	188487174	/nfs/dbraw/zinc/48/71/74/188487174.db2.gz	HFHBKDQLMMKJAY-MCIONIFRSA-N	0	0	208.389	4.885	1	0	in-vitro	BJAFRN
CC1=CC[C@@H]2C(=C1)[C@@H](C(C)C)CC[C@H]2C	ZINC000064634151	168119563	/nfs/dbraw/zinc/11/95/63/168119563.db2.gz	JOCWPECWTZZSSX-MCIONIFRSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC1(C)C2=CCCC(C)(C)[C@@]23CC[C@@H]1C3	ZINC000066348870	167881912	/nfs/dbraw/zinc/88/19/12/167881912.db2.gz	CQUAYTJDLQBXCQ-IAQYHMDHSA-N	0	0	204.357	4.559	1	0	biogenic,in-vitro	BJAFRN
CC(C)[C@H]1CC[C@]2(C)CCC[C@@H](C)[C@H]2C1	ZINC000070450859	290801000	/nfs/dbraw/zinc/80/10/00/290801000.db2.gz	DYEQPYSFRWUNNV-BARDWOONSA-N	0	0	208.389	4.885	1	0	biogenic,in-vitro	BJAFRN
CC1=C[C@@H]2[C@@H](CC1)[C@H](C)C=CCC2(C)C	ZINC000070451257	560048832	/nfs/dbraw/zinc/04/88/32/560048832.db2.gz	ARHRNUWNRNFXBZ-HZSPNIEDSA-N	0	0	204.357	4.581	1	0	biogenic,in-vitro	BJAFRN
CC1=CC[C@]2(C)CCC(C(C)C)=C2CC1	ZINC000070454715	571780187	/nfs/dbraw/zinc/78/01/87/571780187.db2.gz	MGMBZNCFUFRSSP-OAHLLOKOSA-N	0	0	204.357	4.869	1	0	endogenous,in-man	BJAFRN
CC(C)=C1CC[C@@H](C)[C@]12CC=C(C)CC2	ZINC000070454746	560048104	/nfs/dbraw/zinc/04/81/04/560048104.db2.gz	HMKLOOMRRZKSNM-UKRRQHHQSA-N	0	0	204.357	4.869	1	0	biogenic,in-vitro	BJAFRN
CC(C)=C1CC[C@@H](C)[C@@]12CC=C(C)CC2	ZINC000070454748	290801743	/nfs/dbraw/zinc/80/17/43/290801743.db2.gz	HMKLOOMRRZKSNM-HIFRSBDPSA-N	0	0	204.357	4.869	1	0	biogenic,in-vitro	BJAFRN
C[C@H]1CCC2=C1C[C@@]13[C@@H](CC[C@@]21C)C3(C)C	ZINC000070455003	560047880	/nfs/dbraw/zinc/04/78/80/560047880.db2.gz	QQVZHTBOYRBLSA-NZBMOFRJSA-N	0	0	216.368	4.559	1	0	biogenic,in-vitro	BJAFRN
CC(C)C1=CC[C@@H](C)[C@H]2C[C@H](C)C=C2C1	ZINC000070455018	290800890	/nfs/dbraw/zinc/80/08/90/290800890.db2.gz	UDQMCXTWTNKMJG-LALPHHSUSA-N	0	0	204.357	4.581	1	0	biogenic,in-vitro	BJAFRN
CC1=C2[C@H]3[C@@H](CC[C@@]2(C)CCC1)C3(C)C	ZINC000070455021	290801013	/nfs/dbraw/zinc/80/10/13/290801013.db2.gz	UPGLJTCDRBIZKP-UXIGCNINSA-N	0	0	204.357	4.559	1	0	biogenic,in-vitro	BJAFRN
CC1=C[C@H]2[C@@H](CC1)C(C)=CC[C@@H]2C(C)C	ZINC000070455185	168132356	/nfs/dbraw/zinc/13/23/56/168132356.db2.gz	QMAYBMKBYCGXDH-QLFBSQMISA-N	0	0	204.357	4.581	1	0	biogenic,in-man	BJAFRN
CC(C)=C1CC[C@H](C)C12CCC(C)CC2	ZINC000070455389	290800894	/nfs/dbraw/zinc/80/08/94/290800894.db2.gz	GDAKTWUGYOGSLA-OWYJLGKBSA-N	0	0	206.373	4.949	1	0	biogenic,in-vitro	BJAFRN
Cc1cc(C)cc(Nc2ccc3ccccc3n2)c1	ZINC000073221957	177911170	/nfs/dbraw/zinc/91/11/70/177911170.db2.gz	QIGPXHAIEQCLTE-UHFFFAOYSA-N	0	0	248.329	4.595	1	0		BJAFRN
Cc1cccc(C)c1Nc1ccc2ccccc2n1	ZINC000073221960	179045479	/nfs/dbraw/zinc/04/54/79/179045479.db2.gz	PMPHDDXPHLMGES-UHFFFAOYSA-N	0	0	248.329	4.595	1	0		BJAFRN
CC1=C[C@@H]2[C@@H](C(C)C)CC=C(C)[C@H]2CC1	ZINC000083260319	168131591	/nfs/dbraw/zinc/13/15/91/168131591.db2.gz	QMAYBMKBYCGXDH-RBSFLKMASA-N	0	0	204.357	4.581	1	0	in-man	BJAFRN
Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C	ZINC000085489325	560075471	/nfs/dbraw/zinc/07/54/71/560075471.db2.gz	YLIAZCIBLKJTKN-LBPRGKRZSA-N	0	0	200.325	4.542	1	0	endogenous,in-man	BJAFRN
CC1=CCC([C@@]2(C)CCCC2(C)C)=CC1	ZINC000085491711	290801585	/nfs/dbraw/zinc/80/15/85/290801585.db2.gz	MDJJOJZGNNCGHU-OAHLLOKOSA-N	0	0	204.357	4.869	1	0	biogenic,in-vitro	BJAFRN
CCCCc1cc(C)cc(CCCC)c1C	ZINC000085493535	290802168	/nfs/dbraw/zinc/80/21/68/290802168.db2.gz	FJDUFBQNQIPVIP-UHFFFAOYSA-N	0	0	218.384	4.989	1	0	biogenic,in-vitro	BJAFRN
CC1=C2[C@H]3[C@@H](CC[C@]2(C)CCC1)C3(C)C	ZINC000085511874	290801058	/nfs/dbraw/zinc/80/10/58/290801058.db2.gz	UPGLJTCDRBIZKP-KYOSRNDESA-N	0	0	204.357	4.559	1	0	biogenic,in-vitro	BJAFRN
CC1=CC[C@@H]([C@H](C)C/C=C/C(C)C)C=C1	ZINC000085530202	290801749	/nfs/dbraw/zinc/80/17/49/290801749.db2.gz	QKGXVMZWDRFMEC-MUHKLVGJSA-N	0	0	204.357	4.747	1	0	biogenic,in-vitro	BJAFRN
CC1=CC2=C(C(C)C)CC[C@@H](C)[C@H]2CC1	ZINC000085542525	290801584	/nfs/dbraw/zinc/80/15/84/290801584.db2.gz	FIAKMTRUEKZMNO-TZMCWYRMSA-N	0	0	204.357	4.725	1	0	biogenic,in-vitro	BJAFRN
C[C@H]1CC=C[C@@]2(C)[C@H]1C=C[C@H]1CCCC[C@@H]12	ZINC000085543662	560070923	/nfs/dbraw/zinc/07/09/23/560070923.db2.gz	LNPDWFGAZAPKEP-QRJUGERDSA-N	0	0	216.368	4.581	1	0	biogenic,in-vitro	BJAFRN
C[C@H]1CC=C[C@@]23CC=C[C@@H]4CCC[C@H](C=C[C@@H]12)[C@H]43	ZINC000085543667	560070918	/nfs/dbraw/zinc/07/09/18/560070918.db2.gz	IODOMDQHMLIFRD-MCEUPANISA-N	0	0	240.390	4.747	1	0	biogenic,in-vitro	BJAFRN
C[C@H]1CC=C[C@@]2(CCC[C@H]3CCCC[C@H]32)C1	ZINC000085543669	560070943	/nfs/dbraw/zinc/07/09/43/560070943.db2.gz	WUNKHOAKONFWFJ-ZJIFWQFVSA-N	0	0	218.384	4.949	1	0	biogenic,in-vitro	BJAFRN
C[C@H]1CC=C[C@@]2(CCC[C@@H]3CCC[C@@H]32)C1	ZINC000085543676	290802170	/nfs/dbraw/zinc/80/21/70/290802170.db2.gz	IWBDVSQQHOVCMF-ZQDZILKHSA-N	0	0	204.357	4.559	1	0	biogenic,in-vitro	BJAFRN
O=Cc1ccc([C@@H]2CCC[C@H]3CCCC[C@H]32)cc1	ZINC000085547989	560072173	/nfs/dbraw/zinc/07/21/73/560072173.db2.gz	HIMUABOWICQFIE-OIISXLGYSA-N	0	0	242.362	4.573	1	0	biogenic,in-vitro	BJAFRN
COC[C@@]12CC3=C(C)CC[C@]3([C@H](C)CC1)C2(C)C	ZINC000085548319	560072103	/nfs/dbraw/zinc/07/21/03/560072103.db2.gz	ZGMVKUONNKDMPA-XOKHGSTOSA-N	0	0	248.410	4.576	1	0	biogenic,in-vitro	BJAFRN
C[C@@H]1CCC2=C1C[C@H]1CC[C@]2(C)C1(C)C	ZINC000085555972	176062517	/nfs/dbraw/zinc/06/25/17/176062517.db2.gz	CSKINCSXMLCMAR-HFAKWTLXSA-N	0	0	204.357	4.559	1	0	in-man	BJAFRN
CC(C)=C1CC[C@]2(C)CCC=C(C)[C@H]2C1	ZINC000085599405	168102235	/nfs/dbraw/zinc/10/22/35/168102235.db2.gz	WNRBYZQFEBIUGD-CABCVRRESA-N	0	0	204.357	4.869	1	0	endogenous,in-man	BJAFRN
CC(C)=C1CC[C@@]2(C)CCC=C(C)[C@H]2C1	ZINC000085599406	168104677	/nfs/dbraw/zinc/10/46/77/168104677.db2.gz	WNRBYZQFEBIUGD-HUUCEWRRSA-N	0	0	204.357	4.869	1	0	endogenous,in-man	BJAFRN
CC(C)=C1CC[C@]2(C)CCC=C(C)[C@@H]2C1	ZINC000085599408	168102081	/nfs/dbraw/zinc/10/20/81/168102081.db2.gz	WNRBYZQFEBIUGD-GJZGRUSLSA-N	0	0	204.357	4.869	1	0	endogenous,in-man	BJAFRN
CC(C)=C1CC[C@@]2(C)CCC=C(C)[C@@H]2C1	ZINC000085599410	168104333	/nfs/dbraw/zinc/10/43/33/168104333.db2.gz	WNRBYZQFEBIUGD-LSDHHAIUSA-N	0	0	204.357	4.869	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@@H]2C(=C1)[C@@H](C(C)C)CC[C@@H]2C	ZINC000085600697	168119652	/nfs/dbraw/zinc/11/96/52/168119652.db2.gz	JOCWPECWTZZSSX-MJBXVCDLSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@@H]2C(=C1)[C@H](C(C)C)CC[C@H]2C	ZINC000085600699	168119303	/nfs/dbraw/zinc/11/93/03/168119303.db2.gz	JOCWPECWTZZSSX-RDBSUJKOSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@@H]2C(=C1)[C@H](C(C)C)CC[C@@H]2C	ZINC000085600702	168118534	/nfs/dbraw/zinc/11/85/34/168118534.db2.gz	JOCWPECWTZZSSX-IHRRRGAJSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC(C)=CCC[C@]1(C)[C@H]2C[C@@H]1C(C)=CC2	ZINC000085644695	571787097	/nfs/dbraw/zinc/78/70/97/571787097.db2.gz	YMBFCQPIMVLNIU-RBSFLKMASA-N	0	0	204.357	4.725	1	0	endogenous,in-man	BJAFRN
CC(C)=C1C=C2[C@H](C)CCC[C@@]2(C)CC1	ZINC000085756815	290800485	/nfs/dbraw/zinc/80/04/85/290800485.db2.gz	ZQODGIAJYWHYRF-DOMZBBRYSA-N	0	0	204.357	4.869	1	0	biogenic,in-vitro	BJAFRN
CC(C)=C1C=C2[C@@H](C)CCC[C@]2(C)CC1	ZINC000085756821	560066863	/nfs/dbraw/zinc/06/68/63/560066863.db2.gz	ZQODGIAJYWHYRF-SWLSCSKDSA-N	0	0	204.357	4.869	1	0	biogenic,in-vitro	BJAFRN
CC1=CC[C@H](C)[C@@]2(C)CC=C(C)CC[C@H]12	ZINC000085772359	290801754	/nfs/dbraw/zinc/80/17/54/290801754.db2.gz	NZAPWYHXDQNUKG-RRFJBIMHSA-N	0	0	204.357	4.725	1	0	biogenic,in-vitro	BJAFRN
CC1=C2[C@@H]3CC[C@@H](C)[C@@]2(CC1)CC3(C)C	ZINC000085800820	560066012	/nfs/dbraw/zinc/06/60/12/560066012.db2.gz	ANMYKTVFNJJBPX-TYNCELHUSA-N	0	0	204.357	4.559	1	0	biogenic,in-vitro	BJAFRN
CC(C)=C1CCC(C)=C2CC[C@@H](C)[C@@H]2C1	ZINC000085826891	571789024	/nfs/dbraw/zinc/78/90/24/571789024.db2.gz	XUTBNOJXXIWRCB-DOMZBBRYSA-N	0	0	204.357	4.869	1	0	endogenous,in-man	BJAFRN
CC(C)=C1CCC(C)=C2CC[C@H](C)[C@@H]2C1	ZINC000085826893	571788879	/nfs/dbraw/zinc/78/88/79/571788879.db2.gz	XUTBNOJXXIWRCB-WFASDCNBSA-N	0	0	204.357	4.869	1	0	endogenous,in-man	BJAFRN
CC(C)=C1CCC(C)=C2CC[C@@H](C)[C@H]2C1	ZINC000085826897	571788949	/nfs/dbraw/zinc/78/89/49/571788949.db2.gz	XUTBNOJXXIWRCB-IUODEOHRSA-N	0	0	204.357	4.869	1	0	endogenous,in-man	BJAFRN
CC(C)=C1CCC(C)=C2CC[C@H](C)[C@H]2C1	ZINC000085826899	571788981	/nfs/dbraw/zinc/78/89/81/571788981.db2.gz	XUTBNOJXXIWRCB-SWLSCSKDSA-N	0	0	204.357	4.869	1	0	endogenous,in-man	BJAFRN
CC1=C2CC[C@@H](C)[C@@H]2C[C@@H](C(C)C)CC1	ZINC000085827234	168090401	/nfs/dbraw/zinc/09/04/01/168090401.db2.gz	AAPYGFMEZRXPJI-IPYPFGDCSA-N	0	0	206.373	4.805	1	0		BJAFRN
C/C(=C/CCC(C)C)c1ccc(C)cc1	ZINC000085851396	290798432	/nfs/dbraw/zinc/79/84/32/290798432.db2.gz	YKWOHCWVJMGYOF-AUWJEWJLSA-N	0	0	202.341	4.835	1	0	biogenic,in-vitro	BJAFRN
CC(C)=C1CC(C)(C)CC2=C1CC[C@@H]2C	ZINC000085854996	290800487	/nfs/dbraw/zinc/80/04/87/290800487.db2.gz	XLVUTANZHOECMR-NSHDSACASA-N	0	0	204.357	4.869	1	0	biogenic,in-vitro	BJAFRN
CC(C)=C1CC(C)(C)C[C@H]2C1=CC[C@@H]2C	ZINC000085855027	560066520	/nfs/dbraw/zinc/06/65/20/560066520.db2.gz	INOXZQPYSRQSRK-SMDDNHRTSA-N	0	0	204.357	4.725	1	0	biogenic,in-vitro	BJAFRN
C/C1=C/CC(C)(C)/C=C\C[C@@]2(C)S[C@H]2CC1	ZINC000085872091	574416826	/nfs/dbraw/zinc/41/68/26/574416826.db2.gz	RNAZTWUZAUOIKC-LBMBPFPASA-N	0	0	236.424	4.963	1	0	endogenous,in-man	BJAFRN
C/C1=C/CC(C)(C)/C=C\C[C@]2(C)S[C@H]2CC1	ZINC000085872098	574416827	/nfs/dbraw/zinc/41/68/27/574416827.db2.gz	RNAZTWUZAUOIKC-MLQLDRGDSA-N	0	0	236.424	4.963	1	0	endogenous,in-man	BJAFRN
CC1=CCC2=C(C)CC[C@@H](C(C)C)[C@H]2C1	ZINC000085880168	571790583	/nfs/dbraw/zinc/79/05/83/571790583.db2.gz	SUSBMOMALMMAGH-DZGCQCFKSA-N	0	0	204.357	4.725	1	0	endogenous,in-man	BJAFRN
CC1=CCC2=C(C)CC[C@@H](C(C)C)[C@@H]2C1	ZINC000085880170	571790699	/nfs/dbraw/zinc/79/06/99/571790699.db2.gz	SUSBMOMALMMAGH-ZFWWWQNUSA-N	0	0	204.357	4.725	1	0	endogenous,in-man	BJAFRN
CC1=CCC2=C(C)CC[C@H](C(C)C)[C@H]2C1	ZINC000085880175	571790487	/nfs/dbraw/zinc/79/04/87/571790487.db2.gz	SUSBMOMALMMAGH-UKRRQHHQSA-N	0	0	204.357	4.725	1	0	endogenous,in-man	BJAFRN
CC1=CCC2=C(C)CC[C@H](C(C)C)[C@@H]2C1	ZINC000085880179	571790661	/nfs/dbraw/zinc/79/06/61/571790661.db2.gz	SUSBMOMALMMAGH-HIFRSBDPSA-N	0	0	204.357	4.725	1	0	endogenous,in-man	BJAFRN
CC1=CC2=C(C(C)C)CC[C@@H](C)[C@@H]2CC1	ZINC000085880213	560066016	/nfs/dbraw/zinc/06/60/16/560066016.db2.gz	FIAKMTRUEKZMNO-OCCSQVGLSA-N	0	0	204.357	4.725	1	0	biogenic,in-vitro	BJAFRN
CC1=CC[C@]2(C)C(=C1)[C@@H](C(C)C)C[C@H]2C	ZINC000085883124	574416821	/nfs/dbraw/zinc/41/68/21/574416821.db2.gz	IVBZYUKCNLJUDA-NFAWXSAZSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@]2(C)C(=C1)[C@@H](C(C)C)C[C@@H]2C	ZINC000085883128	571790977	/nfs/dbraw/zinc/79/09/77/571790977.db2.gz	IVBZYUKCNLJUDA-GUTXKFCHSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@]2(C)C(=C1)[C@H](C(C)C)C[C@H]2C	ZINC000085883131	574416819	/nfs/dbraw/zinc/41/68/19/574416819.db2.gz	IVBZYUKCNLJUDA-IPYPFGDCSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@]2(C)C(=C1)[C@H](C(C)C)C[C@@H]2C	ZINC000085883134	571791012	/nfs/dbraw/zinc/79/10/12/571791012.db2.gz	IVBZYUKCNLJUDA-YDHLFZDLSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC1=CCC([C@]2(C)CCC=C(C)C2)=CC1	ZINC000085921421	290801589	/nfs/dbraw/zinc/80/15/89/290801589.db2.gz	FMWXCMYXQCUXMT-OAHLLOKOSA-N	0	0	202.341	4.789	1	0	biogenic,in-vitro	BJAFRN
CC1=CC[C@@]2(C)CCC(C(C)C)=C2CC1	ZINC000085934995	571791874	/nfs/dbraw/zinc/79/18/74/571791874.db2.gz	MGMBZNCFUFRSSP-HNNXBMFYSA-N	0	0	204.357	4.869	1	0	endogenous,in-man	BJAFRN
CC1=CCC[C@@]2(C)[C@@H]3CC[C@]12CC3(C)C	ZINC000086042036	168101670	/nfs/dbraw/zinc/10/16/70/168101670.db2.gz	ZCJQJJWNFDNQGZ-SNPRPXQTSA-N	0	0	204.357	4.559	1	0		BJAFRN
CC1=CCC[C@]2(C)[C@@H]3CC[C@]12CC3(C)C	ZINC000086042039	168104374	/nfs/dbraw/zinc/10/43/74/168104374.db2.gz	ZCJQJJWNFDNQGZ-YUELXQCFSA-N	0	0	204.357	4.559	1	0		BJAFRN
COc1cc2c(cc1C)[C@@H](C(C)C)CC=C2C	ZINC000095561776	175021883	/nfs/dbraw/zinc/02/18/83/175021883.db2.gz	XHBAPJXNKHAQEE-CYBMUJFWSA-N	0	0	230.351	4.550	1	0		BJAFRN
COc1cc2c(cc1C)[C@H](C(C)C)CC=C2C	ZINC000095561777	175021872	/nfs/dbraw/zinc/02/18/72/175021872.db2.gz	XHBAPJXNKHAQEE-ZDUSSCGKSA-N	0	0	230.351	4.550	1	0		BJAFRN
CC(C)[C@H]1CC[C@@H](C)[C@H]2CC[C@@H](C)C[C@@H]12	ZINC000095618178	574417055	/nfs/dbraw/zinc/41/70/55/574417055.db2.gz	FZZNNPQZDRVKLU-RYPNDVFKSA-N	0	0	208.389	4.741	1	0	endogenous,in-man	BJAFRN
CC(C)[C@H]1CC[C@@H](C)[C@H]2CC[C@H](C)C[C@@H]12	ZINC000095618179	188146703	/nfs/dbraw/zinc/14/67/03/188146703.db2.gz	FZZNNPQZDRVKLU-JARUQAPTSA-N	0	0	208.389	4.741	1	0	in-man	BJAFRN
CC(C)[C@H]1CC[C@@H](C)[C@@H]2CC[C@@H](C)C[C@@H]12	ZINC000095618180	188320762	/nfs/dbraw/zinc/32/07/62/188320762.db2.gz	FZZNNPQZDRVKLU-ZSAUSMIDSA-N	0	0	208.389	4.741	1	0	endogenous,in-man	BJAFRN
CC1=C[C@]2(C)CCC[C@@]23[C@@H](C)CC[C@]13C	ZINC000095912406	560057111	/nfs/dbraw/zinc/05/71/11/560057111.db2.gz	SAOJPWFHRMUCFN-SPWCGHHHSA-N	0	0	204.357	4.559	1	0	biogenic,in-vitro	BJAFRN
CC1=CC(C)(C)[C@]23CCC[C@]12[C@@H](C)CC3	ZINC000095913730	290801590	/nfs/dbraw/zinc/80/15/90/290801590.db2.gz	APGXRXFCBZKIAN-GLQYFDAESA-N	0	0	204.357	4.559	1	0	biogenic,in-vitro	BJAFRN
CC1=CCC[C@]2(C)[C@@]34CC(C)(C)[C@@H]3CC[C@@]124	ZINC000095913833	290801581	/nfs/dbraw/zinc/80/15/81/290801581.db2.gz	XWBJQPFJDWQXRS-ARLBYUKCSA-N	0	0	216.368	4.559	1	0	biogenic,in-vitro	BJAFRN
CC1=C2CC(C)(C)[C@@H]3CC[C@@H](C)[C@]23CC1	ZINC000095914184	560056027	/nfs/dbraw/zinc/05/60/27/560056027.db2.gz	ZRXJARPSARBQCO-OSAQELSMSA-N	0	0	204.357	4.559	1	0	biogenic,in-vitro	BJAFRN
CC1=C[C@@H]2C(=CC1)[C@@H](C)CC[C@H]2C(C)C	ZINC000096014253	560054342	/nfs/dbraw/zinc/05/43/42/560054342.db2.gz	JUQGWBAOQUBVFP-YDHLFZDLSA-N	0	0	204.357	4.581	1	0	biogenic,in-vitro	BJAFRN
CCCCc1cc2ccccc2c(=S)o1	ZINC000098081847	169017957	/nfs/dbraw/zinc/01/79/57/169017957.db2.gz	OLWWMBFKFLBLTI-UHFFFAOYSA-N	0	0	218.321	4.505	1	0		BJAFRN
C/C1=C\CC/C(C)=C/[C@H]2[C@@H](CC1)C2(C)C	ZINC000100086523	290798419	/nfs/dbraw/zinc/79/84/19/290798419.db2.gz	VPDZRSSKICPUEY-JEPMYXAXSA-N	0	0	204.357	4.725	1	0	biogenic,in-vitro	BJAFRN
CC(C)[C@@H]1CC[C@@H](C)[C@@H]2CC[C@@H](C)C[C@@H]12	ZINC000100776133	571821690	/nfs/dbraw/zinc/82/16/90/571821690.db2.gz	FZZNNPQZDRVKLU-MRLBHPIUSA-N	0	0	208.389	4.741	1	0	endogenous,in-man	BJAFRN
CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@@H](C)C[C@@H]12	ZINC000100776135	571821720	/nfs/dbraw/zinc/82/17/20/571821720.db2.gz	FZZNNPQZDRVKLU-QTVXIADOSA-N	0	0	208.389	4.741	1	0	endogenous,in-man	BJAFRN
CC(C)[C@H]1CC[C@H](C)[C@@H]2CC[C@@H](C)C[C@@H]12	ZINC000100776137	571821772	/nfs/dbraw/zinc/82/17/72/571821772.db2.gz	FZZNNPQZDRVKLU-SEBNEYGDSA-N	0	0	208.389	4.741	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@@]2(C)C(=C1)[C@H](C(C)C)C[C@H]2C	ZINC000100780396	571832845	/nfs/dbraw/zinc/83/28/45/571832845.db2.gz	IVBZYUKCNLJUDA-VNHYZAJKSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@@]2(C)C(=C1)[C@@H](C(C)C)C[C@H]2C	ZINC000100780399	571832912	/nfs/dbraw/zinc/83/29/12/571832912.db2.gz	IVBZYUKCNLJUDA-UMVBOHGHSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@@]2(C)C(=C1)[C@H](C(C)C)C[C@@H]2C	ZINC000100780402	571832891	/nfs/dbraw/zinc/83/28/91/571832891.db2.gz	IVBZYUKCNLJUDA-KCQAQPDRSA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
CC1=CC[C@@]2(C)C(=C1)[C@@H](C(C)C)C[C@@H]2C	ZINC000100780404	571833292	/nfs/dbraw/zinc/83/32/92/571833292.db2.gz	IVBZYUKCNLJUDA-GZBFAFLISA-N	0	0	204.357	4.581	1	0	endogenous,in-man	BJAFRN
C[C@@H]1CCC2=C1C[C@@H]1CC[C@@]2(C)C1(C)C	ZINC000100780735	571834088	/nfs/dbraw/zinc/83/40/88/571834088.db2.gz	CSKINCSXMLCMAR-JRPNMDOOSA-N	0	0	204.357	4.559	1	0	endogenous,in-man	BJAFRN
C[C@H]1CCC2=C1C[C@@H]1CC[C@@]2(C)C1(C)C	ZINC000100780737	571834005	/nfs/dbraw/zinc/83/40/05/571834005.db2.gz	CSKINCSXMLCMAR-ZIBATOQPSA-N	0	0	204.357	4.559	1	0	endogenous,in-man	BJAFRN
C/C1=C/CC/C(C)=C\[C@H]2[C@@H](CC1)C2(C)C	ZINC000100826334	188254107	/nfs/dbraw/zinc/25/41/07/188254107.db2.gz	VPDZRSSKICPUEY-GQRSATBHSA-N	0	0	204.357	4.725	1	0	endogenous,in-man	BJAFRN
CCC(=O)c1c(C)cc2c(c1C)CCCC2(C)C	ZINC000103192357	168253530	/nfs/dbraw/zinc/25/35/30/168253530.db2.gz	KJVIEMULZLDZAR-UHFFFAOYSA-N	0	0	244.378	4.510	1	0		BJAFRN
C/C=C/C=C/CCCCCCC(=O)C(F)(F)F	ZINC000103206118	188323956	/nfs/dbraw/zinc/32/39/56/188323956.db2.gz	KIDZHAYBFBUNRV-MQQKCMAXSA-N	0	0	248.288	4.591	1	0		BJAFRN
Cc1ccc(-c2nc3cc(Cl)ccc3o2)s1	ZINC000103276374	178336823	/nfs/dbraw/zinc/33/68/23/178336823.db2.gz	SYXAXNWEMZBDQC-UHFFFAOYSA-N	0	0	249.722	4.518	1	0		BJAFRN
CC(C)[C@@H]1CC[C@H]2CCC[C@@H](C)[C@]2(C)C1	ZINC000103291593	188323416	/nfs/dbraw/zinc/32/34/16/188323416.db2.gz	AJWBFJHTFGRNDG-TUVASFSCSA-N	0	0	208.389	4.885	1	0		BJAFRN
CC(C)C1=CC[C@@H](C)C2=C(C1)[C@H](C)CC2	ZINC000111911313	166755409	/nfs/dbraw/zinc/75/54/09/166755409.db2.gz	IFJYSOWCCJPUJS-VXGBXAGGSA-N	0	0	204.357	4.725	1	0		BJAFRN
CCCCC(c1ccc(C)o1)c1ccc(C)o1	ZINC000169349154	168631338	/nfs/dbraw/zinc/63/13/38/168631338.db2.gz	MTWWORXCHQRRII-UHFFFAOYSA-N	0	0	232.323	4.812	1	0		BJAFRN
CC(C)[C@@H]1CC[C@@H](C)[C@H]2CC[C@@H](C)C[C@H]21	ZINC000196553233	574419686	/nfs/dbraw/zinc/41/96/86/574419686.db2.gz	FZZNNPQZDRVKLU-QMIVOQANSA-N	0	0	208.389	4.741	1	0	endogenous,in-man	BJAFRN
CC(C)[C@@H]1CC[C@@H](C)[C@H]2CC[C@@H](C)C[C@@H]21	ZINC000201708936	574420049	/nfs/dbraw/zinc/42/00/49/574420049.db2.gz	FZZNNPQZDRVKLU-UXXRCYHCSA-N	0	0	208.389	4.741	1	0	endogenous,in-man	BJAFRN
C/C=C/C=C/C=C\CCCCCCCCCO	ZINC000034542920	368324023	/nfs/dbraw/zinc/32/40/23/368324023.db2.gz	MCHQISQIMHEGAY-NXCITBJVSA-N	0	0	236.399	4.788	2	0		BJAFRN
CC(C)=CCC[C@@]1(C)[C@H]2C[C@@H]1C(C)=CC2	ZINC000056874350	187955468	/nfs/dbraw/zinc/95/54/68/187955468.db2.gz	YMBFCQPIMVLNIU-KFWWJZLASA-N	0	0	204.357	4.725	2	0	endogenous,in-man	BJAFRN
c1ccc2c(c1)S[C@@H]1c3ccccc3C=C[C@@H]21	ZINC000086861026	188318010	/nfs/dbraw/zinc/31/80/10/188318010.db2.gz	KZMSMPFQYDDMQH-GOEBONIOSA-N	0	0	236.339	4.644	2	0		BJAFRN
c1ccc2c(c1)S[C@@H]1c3ccccc3C=C[C@H]21	ZINC000086861027	385053852	/nfs/dbraw/zinc/05/38/52/385053852.db2.gz	KZMSMPFQYDDMQH-GDBMZVCRSA-N	0	0	236.339	4.644	2	0		BJAFRN
c1ccc2c(c1)S[C@H]1c3ccccc3C=C[C@@H]21	ZINC000086861029	385055479	/nfs/dbraw/zinc/05/54/79/385055479.db2.gz	KZMSMPFQYDDMQH-HOCLYGCPSA-N	0	0	236.339	4.644	2	0		BJAFRN
c1ccc2c(c1)S[C@H]1c3ccccc3C=C[C@H]21	ZINC000086861031	187625939	/nfs/dbraw/zinc/62/59/39/187625939.db2.gz	KZMSMPFQYDDMQH-ZBFHGGJFSA-N	0	0	236.339	4.644	2	0		BJAFRN
Fc1ccc([C@]2(C3CCCCC3)CC=CO2)cc1	ZINC000086861317	385054103	/nfs/dbraw/zinc/05/41/03/385054103.db2.gz	YJANLXPSTHUZHT-MRXNPFEDSA-N	0	0	246.325	4.535	2	0		BJAFRN
Fc1ccc([C@@]2(C3CCCCC3)CC=CO2)cc1	ZINC000086861319	385055210	/nfs/dbraw/zinc/05/52/10/385055210.db2.gz	YJANLXPSTHUZHT-INIZCTEOSA-N	0	0	246.325	4.535	2	0		BJAFRN
c1cnc2c(c1)C21CCCCCCCCCCC1	ZINC000086861392	385054356	/nfs/dbraw/zinc/05/43/56/385054356.db2.gz	POZTWZGQNCPQRO-UHFFFAOYSA-N	0	0	243.394	4.986	2	0		BJAFRN
CCCc1ccc2c(c1)Sc1ccccc1N2	ZINC000086862368	385053551	/nfs/dbraw/zinc/05/35/51/385053551.db2.gz	ZIXIAXAIQLJBQO-UHFFFAOYSA-N	0	0	241.359	4.847	2	0		BJAFRN
CCCc1cccc2c1Nc1ccccc1S2	ZINC000168867385	368352332	/nfs/dbraw/zinc/35/23/32/368352332.db2.gz	OQIVFXVKIUIGKK-UHFFFAOYSA-N	0	0	241.359	4.847	2	0		BJAFRN
CCCC[C@@H](c1ccc(O)cc1)C(C)(C)C	ZINC000205415659	388583698	/nfs/dbraw/zinc/58/36/98/388583698.db2.gz	WSXXAVGKHKSBFK-AWEZNQCLSA-N	0	0	220.356	4.712	2	0		BJAFRN
CCCC[C@H](c1ccc(O)cc1)C(C)(C)C	ZINC000205415673	487890349	/nfs/dbraw/zinc/89/03/49/487890349.db2.gz	WSXXAVGKHKSBFK-CQSZACIVSA-N	0	0	220.356	4.712	2	0		BJAFRN
Cc1cc2c(sc3c2c(C)ccc3C)c(C)n1	ZINC000000495702	178292641	/nfs/dbraw/zinc/29/26/41/178292641.db2.gz	YYBFSCFEAVLXTB-UHFFFAOYSA-N	0	0	241.359	4.683	3	0		BJAFRN
Cc1cc(C)c2nc(-c3ccccc3)ccc2c1	ZINC000095567397	177885557	/nfs/dbraw/zinc/88/55/57/177885557.db2.gz	BVWXKDSVXIYSJC-UHFFFAOYSA-N	0	0	233.314	4.519	3	0		BJAFRN