smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=CSC(=C2SC(C)=C(C)S2)S1	ZINC000000391996	342685919	/nfs/dbraw/zinc/68/59/19/342685919.db2.gz	RJWAYFAUEIUPCS-UHFFFAOYSA-N	0	0	246.447	5.186	40	0		BKABRN
C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000000401940	534450294	/nfs/dbraw/zinc/45/02/94/534450294.db2.gz	IEAUXBMXWDAYID-UHFFFAOYSA-N	0	0	249.140	5.055	40	0	in-vitro	BKABRN
C=C/C(C)=C\C/C=C(\C)CCC=C(C)C	ZINC000001531531	188436191	/nfs/dbraw/zinc/43/61/91/188436191.db2.gz	CXENHBSYCFFKJS-OXYODPPFSA-N	0	0	204.357	5.202	40	0	in-vitro	BKABRN
c1ccc2cc3c(cc2c1)Nc1ccccc1S3	ZINC000001574246	383907072	/nfs/dbraw/zinc/90/70/72/383907072.db2.gz	IWKDFAWZFVGWAH-UHFFFAOYSA-N	0	0	249.338	5.048	40	0		BKABRN
c1ccc(C(c2ccccc2)=C2CCCCC2)cc1	ZINC000001585453	183388117	/nfs/dbraw/zinc/38/81/17/183388117.db2.gz	PXJUYCDEHIAYHN-UHFFFAOYSA-N	0	0	248.369	5.453	40	0		BKABRN
CCCCCC(O)(CCCC)CCCCC	ZINC000001587704	342704467	/nfs/dbraw/zinc/70/44/67/342704467.db2.gz	UCURXCBXAJLXLB-UHFFFAOYSA-N	0	0	228.420	5.068	40	0		BKABRN
CCCCCC(CCCCC)c1ccccn1	ZINC000001587749	342704480	/nfs/dbraw/zinc/70/44/80/342704480.db2.gz	OUJFNECPOCDSMV-UHFFFAOYSA-N	0	0	233.399	5.326	40	0		BKABRN
CC(C)C1=C(C2CCCCC2)C[C@@H](C)CC1	ZINC000001610539	383912873	/nfs/dbraw/zinc/91/28/73/383912873.db2.gz	QAFWFFVYHNVNPM-ZDUSSCGKSA-N	0	0	220.400	5.339	40	0		BKABRN
C/C=C(C)/C=C/C[C@@H](C)CCC=C(C)C	ZINC000001651058	192033422	/nfs/dbraw/zinc/03/34/22/192033422.db2.gz	GIBJEWOSWWYJSK-RGUZAKIQSA-N	0	0	206.373	5.281	40	0		BKABRN
CC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000001653032	342706981	/nfs/dbraw/zinc/70/69/81/342706981.db2.gz	KSPSGLZRAWUOKJ-UHFFFAOYSA-N	0	0	248.410	5.111	40	0		BKABRN
Cc1c(C(C)C)cc(C(C)C)cc1C(C)C	ZINC000001664079	177573363	/nfs/dbraw/zinc/57/33/63/177573363.db2.gz	CHVOYGXBBWPDEU-UHFFFAOYSA-N	0	0	218.384	5.365	40	0		BKABRN
CC(C)(C)CC(C)(C)Sc1ccsc1	ZINC000001669522	342707736	/nfs/dbraw/zinc/70/77/36/342707736.db2.gz	LBVNNKJXVRIALD-UHFFFAOYSA-N	0	0	228.426	5.055	40	0		BKABRN
c1ccc(CCCCCCc2ccccc2)cc1	ZINC000001676557	383920699	/nfs/dbraw/zinc/92/06/99/383920699.db2.gz	DVGPMIRVCZNXMD-UHFFFAOYSA-N	0	0	238.374	5.032	40	0		BKABRN
CCCCCC(Cl)(CCC)CCCCC	ZINC000001680014	342708503	/nfs/dbraw/zinc/70/85/03/342708503.db2.gz	LHXNGDIGYZVBKZ-UHFFFAOYSA-N	0	0	232.839	5.925	40	0		BKABRN
c1ccc(C2CCCCC2)c(C2CCCCC2)c1	ZINC000001682107	183390135	/nfs/dbraw/zinc/39/01/35/183390135.db2.gz	OQXMLPWEDVZNPA-UHFFFAOYSA-N	0	0	242.406	5.782	40	0		BKABRN
Cc1ccc(CC[C@H](C)c2ccc(C)cc2)cc1	ZINC000001685169	342709094	/nfs/dbraw/zinc/70/90/94/342709094.db2.gz	UIJQNSFKBMRDKM-INIZCTEOSA-N	0	0	238.374	5.040	40	0		BKABRN
CCCC/C(=C/OC[C@H](CC)CCCC)CC	ZINC000001685650	168586867	/nfs/dbraw/zinc/58/68/67/168586867.db2.gz	NNHJCFOHRZGCJX-QJPKHSJYSA-N	0	0	240.431	5.704	40	0		BKABRN
CCCC/C(=C\OC[C@H](CC)CCCC)CC	ZINC000001685651	342709007	/nfs/dbraw/zinc/70/90/07/342709007.db2.gz	NNHJCFOHRZGCJX-UGEDRFTOSA-N	0	0	240.431	5.704	40	0		BKABRN
CCCC/C(=C/OC[C@@H](CC)CCCC)CC	ZINC000001685652	342708919	/nfs/dbraw/zinc/70/89/19/342708919.db2.gz	NNHJCFOHRZGCJX-MDJJKAFGSA-N	0	0	240.431	5.704	40	0		BKABRN
CCCC/C(=C\OC[C@@H](CC)CCCC)CC	ZINC000001685653	342708870	/nfs/dbraw/zinc/70/88/70/342708870.db2.gz	NNHJCFOHRZGCJX-KGAUPUERSA-N	0	0	240.431	5.704	40	0		BKABRN
C=C(c1ccc(Cl)cc1)c1ccccc1Cl	ZINC000001690475	342709499	/nfs/dbraw/zinc/70/94/99/342709499.db2.gz	BGXXQIDDCWYHIL-UHFFFAOYSA-N	0	0	249.140	5.055	40	0	in-vitro	BKABRN
C(CCC1CCCCC1)COC1CCCCC1	ZINC000001696811	342709729	/nfs/dbraw/zinc/70/97/29/342709729.db2.gz	NXLHLHCFVBEQRN-UHFFFAOYSA-N	0	0	238.415	5.086	40	0		BKABRN
C1CCC(C2CCC(C3CCCCC3)CC2)CC1	ZINC000001701494	383925436	/nfs/dbraw/zinc/92/54/36/383925436.db2.gz	OHLFVTCARHBZDH-UHFFFAOYSA-N	0	0	248.454	5.953	40	0		BKABRN
Cc1ccc(C)c(CC[C@@H](C)CCCC(C)C)c1	ZINC000001703786	383925300	/nfs/dbraw/zinc/92/53/00/383925300.db2.gz	GDGPOTBJJLOPRZ-HNNXBMFYSA-N	0	0	246.438	5.698	40	0		BKABRN
CCCCC[P@](=O)(CCC(C)C)CC(C)C	ZINC000001712128	168747785	/nfs/dbraw/zinc/74/77/85/168747785.db2.gz	TZNAFVJJTCYGNE-INIZCTEOSA-N	0	0	246.375	5.242	40	0		BKABRN
CC(C)[C@H]1CCCC[C@H]1C1CCCCC1	ZINC000001713451	187245415	/nfs/dbraw/zinc/24/54/15/187245415.db2.gz	XWULVJMSQHXLOJ-CABCVRRESA-N	0	0	208.389	5.029	40	0		BKABRN
CC(C)[C@@H]1CCCC[C@H]1C1CCCCC1	ZINC000001713452	383928887	/nfs/dbraw/zinc/92/88/87/383928887.db2.gz	XWULVJMSQHXLOJ-GJZGRUSLSA-N	0	0	208.389	5.029	40	0		BKABRN
CC(C)[C@H]1CCCC[C@@H]1C1CCCCC1	ZINC000001713453	383927682	/nfs/dbraw/zinc/92/76/82/383927682.db2.gz	XWULVJMSQHXLOJ-HUUCEWRRSA-N	0	0	208.389	5.029	40	0		BKABRN
CC(C)[C@@H]1CCCC[C@@H]1C1CCCCC1	ZINC000001713454	383928110	/nfs/dbraw/zinc/92/81/10/383928110.db2.gz	XWULVJMSQHXLOJ-LSDHHAIUSA-N	0	0	208.389	5.029	40	0		BKABRN
C(CC1CCCCC1)CC1CCCCC1	ZINC000001713455	187814579	/nfs/dbraw/zinc/81/45/79/187814579.db2.gz	LIQIPWNPFZCAIQ-UHFFFAOYSA-N	0	0	208.389	5.317	40	0		BKABRN
Cc1cc(C)cc(Cc2ccc3ccccc3c2)c1	ZINC000001725515	342711451	/nfs/dbraw/zinc/71/14/51/342711451.db2.gz	QWYNHGPSBUKYDG-UHFFFAOYSA-N	0	0	246.353	5.047	40	0		BKABRN
CCCCC=C(C1CCCCC1)C1CCCCC1	ZINC000001729051	342711615	/nfs/dbraw/zinc/71/16/15/342711615.db2.gz	UFOOZEWXRVUDBS-UHFFFAOYSA-N	0	0	248.454	6.264	40	0		BKABRN
CCCCCC[C@H](C)Oc1ccccc1Cl	ZINC000001732346	383930669	/nfs/dbraw/zinc/93/06/69/383930669.db2.gz	VBYDZUSHNABSKJ-LBPRGKRZSA-N	0	0	240.774	5.078	40	0		BKABRN
CC(C)=CCC[C@H](C)CCOc1cccc(C)c1	ZINC000001733561	535365214	/nfs/dbraw/zinc/36/52/14/535365214.db2.gz	ALHUXPLJZZPGEO-HNNXBMFYSA-N	0	0	246.394	5.146	40	0		BKABRN
CC(C)c1ccc(/C=C2\C=Nc3ccccc32)cc1	ZINC000001735897	342711868	/nfs/dbraw/zinc/71/18/68/342711868.db2.gz	MFJAGKUSJUYANY-LFIBNONCSA-N	0	0	247.341	5.067	40	0		BKABRN
Cc1cc(C2=CCCCC2)c2ccccc2c1C	ZINC000001745172	342712077	/nfs/dbraw/zinc/71/20/77/342712077.db2.gz	BXMCEYGORHOAEI-UHFFFAOYSA-N	0	0	236.358	5.414	40	0		BKABRN
CC[C@@]1(C)CC[C@](C)(CC)c2cc(C)ccc21	ZINC000001747554	171203139	/nfs/dbraw/zinc/20/31/39/171203139.db2.gz	RWCYJMONVSSXBD-IRXDYDNUSA-N	0	0	230.395	5.124	40	0		BKABRN
CC[C@]1(C)CC[C@](C)(CC)c2ccc(C)cc21	ZINC000001747558	171203071	/nfs/dbraw/zinc/20/30/71/171203071.db2.gz	RWCYJMONVSSXBD-DLBZAZTESA-N	0	0	230.395	5.124	40	0		BKABRN
CC[C@]1(C)CC[C@@](C)(CC)c2cc(C)ccc21	ZINC000001747560	342711957	/nfs/dbraw/zinc/71/19/57/342711957.db2.gz	RWCYJMONVSSXBD-IAGOWNOFSA-N	0	0	230.395	5.124	40	0		BKABRN
c1scc(-c2ccccc2)c1-c1ccccc1	ZINC000001752860	183382381	/nfs/dbraw/zinc/38/23/81/183382381.db2.gz	FQEARRSVYWPYFN-UHFFFAOYSA-N	0	0	236.339	5.082	40	0		BKABRN
CCCCCCP(=O)(CCCC)CCCC	ZINC000001756204	342712194	/nfs/dbraw/zinc/71/21/94/342712194.db2.gz	IOEIIVUUHFHIBG-UHFFFAOYSA-N	0	0	246.375	5.530	40	0		BKABRN
CC(C)c1ccc2c(c1)C(C)(C)CCC2(C)C	ZINC000001758707	342712253	/nfs/dbraw/zinc/71/22/53/342712253.db2.gz	HSTKYBGUKXSAJU-UHFFFAOYSA-N	0	0	230.395	5.159	40	0		BKABRN
CC(C)(C)c1ccc2c(c1)C(C)(C)CCC2(C)C	ZINC000001758714	187584506	/nfs/dbraw/zinc/58/45/06/187584506.db2.gz	SANVLOUOKYDPNR-UHFFFAOYSA-N	0	0	244.422	5.333	40	0		BKABRN
Cc1cc(C)c(-c2c(C)cc(C)cc2C)c(C)c1	ZINC000001758803	383935920	/nfs/dbraw/zinc/93/59/20/383935920.db2.gz	CWPWAQJHDDRCKP-UHFFFAOYSA-N	0	0	238.374	5.204	40	0		BKABRN
Cc1ccc(C)c(Nc2ccc3ccccc3c2)c1	ZINC000001848277	178485844	/nfs/dbraw/zinc/48/58/44/178485844.db2.gz	DSOZVUHAMFENBG-UHFFFAOYSA-N	0	0	247.341	5.200	40	0		BKABRN
c1csc(-c2ccsc2-c2cccs2)c1	ZINC000001861832	342713142	/nfs/dbraw/zinc/71/31/42/342713142.db2.gz	SBVKMIQOXJYJIM-UHFFFAOYSA-N	0	0	248.397	5.205	40	0	in-vitro	BKABRN
c1csc(-c2cscc2-c2cccs2)c1	ZINC000001861835	342713038	/nfs/dbraw/zinc/71/30/38/342713038.db2.gz	XMTNPHVYRJHQFV-UHFFFAOYSA-N	0	0	248.397	5.205	40	0	in-vitro	BKABRN
c1csc(-c2ccc(-c3ccsc3)s2)c1	ZINC000001861837	353445524	/nfs/dbraw/zinc/44/55/24/353445524.db2.gz	AYFTWZXEBAYLHM-UHFFFAOYSA-N	0	0	248.397	5.205	40	0	in-vitro	BKABRN
Cc1cc(C2=CC(C)(C)CC(C)(C)C2)ccc1F	ZINC000002381660	363076044	/nfs/dbraw/zinc/07/60/44/363076044.db2.gz	DGWOCNOIHNULTH-UHFFFAOYSA-N	0	0	246.369	5.364	40	0		BKABRN
CCOc1ccc(CCCCCCC(C)C)cc1	ZINC000002509838	170542061	/nfs/dbraw/zinc/54/20/61/170542061.db2.gz	IRTXCPKNZUZNMH-UHFFFAOYSA-N	0	0	248.410	5.234	40	0		BKABRN
CCC[C@@H](C)c1ccc(O)c([C@H](C)CCC)c1	ZINC000002515961	169374679	/nfs/dbraw/zinc/37/46/79/169374679.db2.gz	QEVQVYGCTVKSER-CHWSQXEVSA-N	0	0	234.383	5.199	40	0		BKABRN
CCCC[C@@H](CC)COC[C@H](CC)CCCC	ZINC000002522821	168959141	/nfs/dbraw/zinc/95/91/41/168959141.db2.gz	YHCCCMIWRBJYHG-HZPDHXFCSA-N	0	0	242.447	5.436	40	0		BKABRN
c1cc2cc(-c3cc4ccccc4s3)ccc2[nH]1	ZINC000002526982	383971069	/nfs/dbraw/zinc/97/10/69/383971069.db2.gz	PHDNOIUJFAIQBO-UHFFFAOYSA-N	0	0	249.338	5.050	40	0		BKABRN
c1cc2ccc(-c3cc4ccccc4s3)cc2[nH]1	ZINC000002527004	383971703	/nfs/dbraw/zinc/97/17/03/383971703.db2.gz	RAXZRLLHTSSBKZ-UHFFFAOYSA-N	0	0	249.338	5.050	40	0		BKABRN
CC(C)=CC[C@@H](C)CC[C@H](C)CCC(C)C	ZINC000002527982	187756762	/nfs/dbraw/zinc/75/67/62/187756762.db2.gz	URRHKOYTHDCSDA-HZPDHXFCSA-N	0	0	224.432	5.831	40	0		BKABRN
CC(C)(C)CC(C)(C)C(C)(C)CC(C)(C)C	ZINC000002528280	342722745	/nfs/dbraw/zinc/72/27/45/342722745.db2.gz	QGGICMFBIPBAOB-UHFFFAOYSA-N	0	0	226.448	5.911	40	0		BKABRN
CC(C)CCCC[C@@H](C)CCCC(C)C	ZINC000002528287	383971567	/nfs/dbraw/zinc/97/15/67/383971567.db2.gz	FONXOARHSFUBAN-OAHLLOKOSA-N	0	0	212.421	5.665	40	0	biogenic,in-vitro	BKABRN
Cc1ccc(C)c(CC[C@H](C)CCCC(C)C)c1	ZINC000002528312	383972051	/nfs/dbraw/zinc/97/20/51/383972051.db2.gz	GDGPOTBJJLOPRZ-OAHLLOKOSA-N	0	0	246.438	5.698	40	0		BKABRN
CCC(C)(C)c1ccc(C(C)(C)CC)cc1	ZINC000002528324	168305497	/nfs/dbraw/zinc/30/54/97/168305497.db2.gz	KNLFZJBLNQRLEL-UHFFFAOYSA-N	0	0	218.384	5.062	40	0		BKABRN
CCc1ccc2c3c(cccc31)-c1ccccc1-2	ZINC000002539111	383974109	/nfs/dbraw/zinc/97/41/09/383974109.db2.gz	JXUOLJXLPIIRTP-UHFFFAOYSA-N	0	0	230.310	5.050	40	0		BKABRN
C=C1C=CC(C)(C)CCCC(C)=CCC1	ZINC000002558001	356634732	/nfs/dbraw/zinc/63/47/32/356634732.db2.gz	FNXUOGPQAOCFKU-UHFFFAOYSA-N	0	0	204.357	5.035	40	0	in-vitro	BKABRN
CC(C)CCC[C@@H](C)CCCc1ccccc1	ZINC000002558863	383975781	/nfs/dbraw/zinc/97/57/81/383975781.db2.gz	STMINNULIMUIHI-MRXNPFEDSA-N	0	0	232.411	5.472	40	0		BKABRN
CCc1cc2c(cc1CC)C(C)(C)CCC2(C)C	ZINC000002558879	171776051	/nfs/dbraw/zinc/77/60/51/171776051.db2.gz	ZCGWNQXAIAWRRA-UHFFFAOYSA-N	0	0	244.422	5.160	40	0		BKABRN
Cc1cc2cccc(CCCC(C)C)c2cc1C	ZINC000002558881	178297740	/nfs/dbraw/zinc/29/77/40/178297740.db2.gz	FHYUZVPVYYWKMR-UHFFFAOYSA-N	0	0	240.390	5.435	40	0		BKABRN
CCCCC(CCCC)(CCCC)CCCC	ZINC000002564175	342724489	/nfs/dbraw/zinc/72/44/89/342724489.db2.gz	WAEWWNSCMZXJML-UHFFFAOYSA-N	0	0	240.475	6.734	40	0		BKABRN
CCCCC1CCC(c2ccccc2)CC1	ZINC000002568197	342724744	/nfs/dbraw/zinc/72/47/44/342724744.db2.gz	WMWOAQARUZYORF-UHFFFAOYSA-N	0	0	216.368	5.151	40	0		BKABRN
CCCc1cccc2c3ccccc3sc21	ZINC000002571302	342724792	/nfs/dbraw/zinc/72/47/92/342724792.db2.gz	KVKWMMBQRSCLOU-UHFFFAOYSA-N	0	0	226.344	5.007	40	0		BKABRN
CC1=CCCC(C)=CCCC(C)=CCC1	ZINC000002571326	356634375	/nfs/dbraw/zinc/63/43/75/356634375.db2.gz	XOTMHDVYZZBKEJ-UHFFFAOYSA-N	0	0	204.357	5.180	40	0		BKABRN
COc1ccc(C2CCCCC2)cc1C(C)(C)C	ZINC000002573124	175085472	/nfs/dbraw/zinc/08/54/72/175085472.db2.gz	DOXNIVQEIMDKGU-UHFFFAOYSA-N	0	0	246.394	5.040	40	0		BKABRN
CC(C)=CCC[C@@H](C)[C@H]1CC=C(C)CC1	ZINC000002582084	187246502	/nfs/dbraw/zinc/24/65/02/187246502.db2.gz	DHEICURLUADSKR-CABCVRRESA-N	0	0	206.373	5.115	40	0		BKABRN
CCCCc1cccc2c3ccccc3sc21	ZINC000002583647	342725864	/nfs/dbraw/zinc/72/58/64/342725864.db2.gz	QKPDLQBMDMCYQW-UHFFFAOYSA-N	0	0	240.371	5.397	40	0		BKABRN
c1ccc(-c2ccc3oc4ccccc4c3c2)cc1	ZINC000002583655	183379859	/nfs/dbraw/zinc/37/98/59/183379859.db2.gz	GILPRDWSDSCHIU-UHFFFAOYSA-N	0	0	244.293	5.253	40	0		BKABRN
c1ccc(-c2cccc3c4ccccc4oc32)cc1	ZINC000002583656	183381168	/nfs/dbraw/zinc/38/11/68/183381168.db2.gz	JQIHNXZEJUGOSG-UHFFFAOYSA-N	0	0	244.293	5.253	40	0		BKABRN
CCCc1ccc2sc3ccccc3c2c1	ZINC000002583658	169576776	/nfs/dbraw/zinc/57/67/76/169576776.db2.gz	YZWKFCFQDAGRAY-UHFFFAOYSA-N	0	0	226.344	5.007	40	0		BKABRN
CCCCc1ccc2sc3ccccc3c2c1	ZINC000002583659	169025188	/nfs/dbraw/zinc/02/51/88/169025188.db2.gz	BEQMTJNPMZQPKZ-UHFFFAOYSA-N	0	0	240.371	5.397	40	0		BKABRN
CCCCCC[C@@H](C)Sc1ccccc1	ZINC000003137110	168675900	/nfs/dbraw/zinc/67/59/00/168675900.db2.gz	LMOZXJDYSXPJGF-CYBMUJFWSA-N	0	0	222.397	5.138	40	0		BKABRN
CCCCCC[C@H](C)Sc1ccccc1	ZINC000003137111	346557400	/nfs/dbraw/zinc/55/74/00/346557400.db2.gz	LMOZXJDYSXPJGF-ZDUSSCGKSA-N	0	0	222.397	5.138	40	0		BKABRN
COC/C=C(\C)CC/C=C(/C)CCC=C(C)C	ZINC000005082620	342757728	/nfs/dbraw/zinc/75/77/28/342757728.db2.gz	HZDZRGKULMGCJE-RWIOWDNPSA-N	0	0	236.399	5.052	40	0		BKABRN
O=C1CCCCCCCCCCCCCCC1	ZINC000005189327	342759838	/nfs/dbraw/zinc/75/98/38/342759838.db2.gz	LXJDKGYSHYYKFJ-UHFFFAOYSA-N	0	0	238.415	5.421	40	0		BKABRN
CCCCCC(=O)c1ccc(C2CCCC2)cc1	ZINC000005417880	384116083	/nfs/dbraw/zinc/11/60/83/384116083.db2.gz	XGSKHIBROHCVFL-UHFFFAOYSA-N	0	0	244.378	5.107	40	0		BKABRN
CC(C)COC1CCCCCCCCCCC1	ZINC000005441469	167022800	/nfs/dbraw/zinc/02/28/00/167022800.db2.gz	ZKLBAFOZTKRQFK-UHFFFAOYSA-N	0	0	240.431	5.332	40	0		BKABRN
CCCC[C@H](CC)COC[C@@H](CC)CCCC	ZINC000005515103	342765242	/nfs/dbraw/zinc/76/52/42/342765242.db2.gz	YHCCCMIWRBJYHG-HOTGVXAUSA-N	0	0	242.447	5.436	40	0		BKABRN
CCCCC[P@@](=O)(CCC(C)C)CC(C)C	ZINC000005551439	342765914	/nfs/dbraw/zinc/76/59/14/342765914.db2.gz	TZNAFVJJTCYGNE-MRXNPFEDSA-N	0	0	246.375	5.242	40	0		BKABRN
c1sc(-c2ccccc2)cc1-c1ccccc1	ZINC000005604492	183382013	/nfs/dbraw/zinc/38/20/13/183382013.db2.gz	FKHVUWRLXRMJLF-UHFFFAOYSA-N	0	0	236.339	5.082	40	0		BKABRN
CCCCCC[C@@H](C)Oc1ccccc1Cl	ZINC000005782803	342770058	/nfs/dbraw/zinc/77/00/58/342770058.db2.gz	VBYDZUSHNABSKJ-GFCCVEGCSA-N	0	0	240.774	5.078	40	0		BKABRN
CCCOC1CCCCCCCCCCC1	ZINC000005835665	169301573	/nfs/dbraw/zinc/30/15/73/169301573.db2.gz	DZWPQZGRFUZEDL-UHFFFAOYSA-N	0	0	226.404	5.086	40	0		BKABRN
CC(C)=CCC[C@@H](C)CCOc1cccc(C)c1	ZINC000006491089	188459002	/nfs/dbraw/zinc/45/90/02/188459002.db2.gz	ALHUXPLJZZPGEO-OAHLLOKOSA-N	0	0	246.394	5.146	40	0		BKABRN
CCCCCCc1cc(Cl)sc1Cl	ZINC000016124902	342906568	/nfs/dbraw/zinc/90/65/68/342906568.db2.gz	PCILERIXBDAQNJ-UHFFFAOYSA-N	0	0	237.195	5.178	40	0		BKABRN
COC/C=C(/C)CC/C=C(\C)CCC=C(C)C	ZINC000016929495	173965860	/nfs/dbraw/zinc/96/58/60/173965860.db2.gz	HZDZRGKULMGCJE-HDVIWIBHSA-N	0	0	236.399	5.052	40	0		BKABRN
COC/C=C(/C)CC/C=C(/C)CCC=C(C)C	ZINC000016929499	342917129	/nfs/dbraw/zinc/91/71/29/342917129.db2.gz	HZDZRGKULMGCJE-CYRKZOTCSA-N	0	0	236.399	5.052	40	0		BKABRN
CC(C)c1ccc(/C=C2/C=Nc3ccccc32)cc1	ZINC000017023361	167583874	/nfs/dbraw/zinc/58/38/74/167583874.db2.gz	MFJAGKUSJUYANY-WJDWOHSUSA-N	0	0	247.341	5.067	40	0		BKABRN
CC(C)=CCC/C(C)=C1\CC=C(C)CC1	ZINC000030731544	190983384	/nfs/dbraw/zinc/98/33/84/190983384.db2.gz	XBGUIVFBMBVUEG-CCEZHUSRSA-N	0	0	204.357	5.180	40	0	biogenic,in-vitro	BKABRN
CCCC[C@@H](CC)COC[C@@H](CC)CCCC	ZINC000031703595	343223000	/nfs/dbraw/zinc/22/30/00/343223000.db2.gz	YHCCCMIWRBJYHG-IYBDPMFKSA-N	0	0	242.447	5.436	40	0		BKABRN
CCC[C@@H](C)c1ccc(O)c([C@@H](C)CCC)c1	ZINC000032157211	169495828	/nfs/dbraw/zinc/49/58/28/169495828.db2.gz	QEVQVYGCTVKSER-OLZOCXBDSA-N	0	0	234.383	5.199	40	0		BKABRN
CCC[C@H](C)c1ccc(O)c([C@@H](C)CCC)c1	ZINC000032157215	385135923	/nfs/dbraw/zinc/13/59/23/385135923.db2.gz	QEVQVYGCTVKSER-STQMWFEESA-N	0	0	234.383	5.199	40	0		BKABRN
CCC[C@@H](C)c1cc([C@@H](C)CCC)ccc1O	ZINC000032157221	169495685	/nfs/dbraw/zinc/49/56/85/169495685.db2.gz	QEVQVYGCTVKSER-QWHCGFSZSA-N	0	0	234.383	5.199	40	0		BKABRN
CC(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1	ZINC000038142097	358129227	/nfs/dbraw/zinc/12/92/27/358129227.db2.gz	DMAOTKUXIGUJMG-QGOAFFKASA-N	0	0	246.353	5.377	40	0		BKABRN
CCC(CC)c1cccc(C(CC)CC)c1N	ZINC000038853718	491110298	/nfs/dbraw/zinc/11/02/98/491110298.db2.gz	WRXMUGOMZOGXCX-UHFFFAOYSA-N	0	0	233.399	5.076	40	0		BKABRN
c1c2ccccc2oc1-c1ccc2ccccc2c1	ZINC000039151382	384108966	/nfs/dbraw/zinc/10/89/66/384108966.db2.gz	VFAQWWHSQWREJR-UHFFFAOYSA-N	0	0	244.293	5.253	40	0		BKABRN
c1c2ccccc2oc1-c1cccc2ccccc21	ZINC000039207576	386643466	/nfs/dbraw/zinc/64/34/66/386643466.db2.gz	WAVOATXXOKESCM-UHFFFAOYSA-N	0	0	244.293	5.253	40	0		BKABRN
Cc1ccc(-c2cc3cc(Cl)ccc3o2)cc1	ZINC000039242799	178321646	/nfs/dbraw/zinc/32/16/46/178321646.db2.gz	UKIMTUMHTUIMLW-UHFFFAOYSA-N	0	0	242.705	5.062	40	0		BKABRN
CCCCOC1CCCCCCCCCCC1	ZINC000044135071	384316830	/nfs/dbraw/zinc/31/68/30/384316830.db2.gz	LLMOAAOCOBGLQZ-UHFFFAOYSA-N	0	0	240.431	5.476	40	0		BKABRN
C/C1=C\CC/C(C)=C/CC/C(C)=C/CC1	ZINC000049952233	384578158	/nfs/dbraw/zinc/57/81/58/384578158.db2.gz	XOTMHDVYZZBKEJ-NQJXNNKBSA-N	0	0	204.357	5.180	40	0		BKABRN
CCC[C@@H](C)c1ccc(C(CC)CC)cc1	ZINC000054962192	169374065	/nfs/dbraw/zinc/37/40/65/169374065.db2.gz	ZMJKPBLBOSIOHA-CYBMUJFWSA-N	0	0	218.384	5.494	40	0		BKABRN
CCC[C@H](C)c1ccc(C(CC)CC)cc1	ZINC000054962194	169495748	/nfs/dbraw/zinc/49/57/48/169495748.db2.gz	ZMJKPBLBOSIOHA-ZDUSSCGKSA-N	0	0	218.384	5.494	40	0		BKABRN
C/C=C/C1CCC(C2CCC(CCC)CC2)CC1	ZINC000055168488	188126978	/nfs/dbraw/zinc/12/69/78/188126978.db2.gz	IASLDLGGHXYCEO-HWKANZROSA-N	0	0	248.454	5.975	40	0		BKABRN
CCCCCC1CCC(c2ccc(F)cc2)CC1	ZINC000059796838	386486280	/nfs/dbraw/zinc/48/62/80/386486280.db2.gz	VCIVJVKSOMDCMN-UHFFFAOYSA-N	0	0	248.385	5.680	40	0		BKABRN
CCCCCc1ccc(-c2ccc(C)cc2)cc1	ZINC000059796871	385053405	/nfs/dbraw/zinc/05/34/05/385053405.db2.gz	ZGBOHJUSTPZQPL-UHFFFAOYSA-N	0	0	238.374	5.395	40	0		BKABRN
C/C=C\C1CCC(C2CCC(CCC)CC2)CC1	ZINC000059796875	188485006	/nfs/dbraw/zinc/48/50/06/188485006.db2.gz	IASLDLGGHXYCEO-HYXAFXHYSA-N	0	0	248.454	5.975	40	0		BKABRN
C=C/C(C)=C/C/C=C(/C)CCC=C(C)C	ZINC000062233804	188485861	/nfs/dbraw/zinc/48/58/61/188485861.db2.gz	CXENHBSYCFFKJS-DZKMRSEMSA-N	0	0	204.357	5.202	40	0	endogenous,in-man	BKABRN
C=C/C(C)=C\C/C=C(/C)CCC=C(C)C	ZINC000062233807	386506908	/nfs/dbraw/zinc/50/69/08/386506908.db2.gz	CXENHBSYCFFKJS-LOQWIJHWSA-N	0	0	204.357	5.202	40	0	biogenic,in-vitro	BKABRN
CCCC/C=C/C(=C(F)F)c1ccccc1	ZINC000066055354	187836593	/nfs/dbraw/zinc/83/65/93/187836593.db2.gz	GXRINVBQKWLAGD-DHZHZOJOSA-N	0	0	222.278	5.041	40	0		BKABRN
CCCC/C=C/C(=C(F)F)c1ccc(F)cc1	ZINC000066055355	256535908	/nfs/dbraw/zinc/53/59/08/256535908.db2.gz	RPFYLUAYEUJUBH-AATRIKPKSA-N	0	0	240.268	5.180	40	0		BKABRN
Cc1ccc(/C(F)=C(\F)c2ccc(C)cc2)cc1	ZINC000066383348	178351864	/nfs/dbraw/zinc/35/18/64/178351864.db2.gz	YDDYUFVEDLBDKF-FOCLMDBBSA-N	0	0	244.284	5.068	40	0		BKABRN
Clc1ccc2cccc(-c3ccccc3)c2c1	ZINC000071256603	384157252	/nfs/dbraw/zinc/15/72/52/384157252.db2.gz	UQDKKSMMAKOJFW-UHFFFAOYSA-N	0	0	238.717	5.160	40	0		BKABRN
Clc1ccc2ccccc2c1-c1ccccc1	ZINC000071256747	384156420	/nfs/dbraw/zinc/15/64/20/384156420.db2.gz	FTUTWDLYQWBYGB-UHFFFAOYSA-N	0	0	238.717	5.160	40	0		BKABRN
Clc1cc2ccccc2cc1-c1ccccc1	ZINC000071256792	180576241	/nfs/dbraw/zinc/57/62/41/180576241.db2.gz	NJBQVBBSCVZPHZ-UHFFFAOYSA-N	0	0	238.717	5.160	40	0		BKABRN
Clc1cccc2cccc(-c3ccccc3)c12	ZINC000071256909	384156593	/nfs/dbraw/zinc/15/65/93/384156593.db2.gz	OWLWRCIPYAHELG-UHFFFAOYSA-N	0	0	238.717	5.160	40	0		BKABRN
Clc1ccc2c(cccc2-c2ccccc2)c1	ZINC000071256913	384156037	/nfs/dbraw/zinc/15/60/37/384156037.db2.gz	ZJHZZASINWAVKC-UHFFFAOYSA-N	0	0	238.717	5.160	40	0		BKABRN
C/C(=C/c1ccccc1Cl)c1ccc(F)cc1	ZINC000071257430	187275495	/nfs/dbraw/zinc/27/54/95/187275495.db2.gz	SNWPPLWSMNZHNG-KHPPLWFESA-N	0	0	246.712	5.040	40	0		BKABRN
CC(C)=C1[C@H]2C=C[C@@H]1c1c2c(C)c(C)c(C)c1C	ZINC000071782703	398160919	/nfs/dbraw/zinc/16/09/19/398160919.db2.gz	WVDIDPSUSKSMSU-GASCZTMLSA-N	0	0	238.374	5.007	40	0		BKABRN
CC(C)C1(C)[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@@H]21	ZINC000071782788	384003822	/nfs/dbraw/zinc/00/38/22/384003822.db2.gz	QNKXOBXVYUQLSV-DNLWUEFJSA-N	0	0	234.427	5.275	40	0		BKABRN
CC(C)C1(C)[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@@H]21	ZINC000071782789	384003847	/nfs/dbraw/zinc/00/38/47/384003847.db2.gz	QNKXOBXVYUQLSV-WCVJEAGWSA-N	0	0	234.427	5.275	40	0		BKABRN
CC(C)C1(C)[C@@H]2CCCC[C@H]2[C@H]2CCCC[C@@H]21	ZINC000071782790	384003304	/nfs/dbraw/zinc/00/33/04/384003304.db2.gz	QNKXOBXVYUQLSV-YUCXICBCSA-N	0	0	234.427	5.275	40	0		BKABRN
CC(C)C1(C)[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]21	ZINC000071782791	384003887	/nfs/dbraw/zinc/00/38/87/384003887.db2.gz	QNKXOBXVYUQLSV-OLXYTISPSA-N	0	0	234.427	5.275	40	0		BKABRN
Clc1ccc(/C=C\c2ccc(Cl)cc2)cc1	ZINC000083306869	384759118	/nfs/dbraw/zinc/75/91/18/384759118.db2.gz	WELCIURRBCOJDX-UPHRSURJSA-N	0	0	249.140	5.164	40	0		BKABRN
CC(C)CCCC[C@H](C)CCCC(C)C	ZINC000085972434	388588445	/nfs/dbraw/zinc/58/84/45/388588445.db2.gz	FONXOARHSFUBAN-HNNXBMFYSA-N	0	0	212.421	5.665	40	0	in-vitro	BKABRN
C/C(=C/C(C)(C)c1ccccc1)c1ccccc1	ZINC000086050487	384981632	/nfs/dbraw/zinc/98/16/32/384981632.db2.gz	VOOVDZMAQQVAEW-PFONDFGASA-N	0	0	236.358	5.068	40	0		BKABRN
CCCCCC(Cl)(CCCC)CCCCC	ZINC000090429942	384047793	/nfs/dbraw/zinc/04/77/93/384047793.db2.gz	KIKMZPHFJLZHMW-UHFFFAOYSA-N	0	0	246.866	6.315	40	0		BKABRN
C1CC2CCC1CCCCCCCCCC2	ZINC000090755236	491120708	/nfs/dbraw/zinc/12/07/08/491120708.db2.gz	NRLHHRUIECIORC-UHFFFAOYSA-N	0	0	222.416	5.707	40	0		BKABRN
C/C(=C\C(C)(C)c1ccccc1)c1ccccc1	ZINC000090756018	187799522	/nfs/dbraw/zinc/79/95/22/187799522.db2.gz	VOOVDZMAQQVAEW-CCEZHUSRSA-N	0	0	236.358	5.068	40	0		BKABRN
CC(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1	ZINC000090765451	384074208	/nfs/dbraw/zinc/07/42/08/384074208.db2.gz	DMAOTKUXIGUJMG-AQTBWJFISA-N	0	0	246.353	5.377	40	0		BKABRN
CC(C)CCC[C@H](C)CCCc1ccccc1	ZINC000095863261	384402067	/nfs/dbraw/zinc/40/20/67/384402067.db2.gz	STMINNULIMUIHI-INIZCTEOSA-N	0	0	232.411	5.472	40	0		BKABRN
CCCC[C@H](CC)C[C@H](O)[C@@H](CC)CCCC	ZINC000095864355	169000032	/nfs/dbraw/zinc/00/00/32/169000032.db2.gz	VKGMVPAEGSTCFA-JYJNAYRXSA-N	0	0	242.447	5.170	40	0		BKABRN
CCCC[C@H](CC)C[C@@H](O)[C@@H](CC)CCCC	ZINC000095864357	169000035	/nfs/dbraw/zinc/00/00/35/169000035.db2.gz	VKGMVPAEGSTCFA-HRCADAONSA-N	0	0	242.447	5.170	40	0		BKABRN
CC(C)=CCC[C@H](C)[C@H]1CC=C(C)CC1	ZINC000095884161	187289241	/nfs/dbraw/zinc/28/92/41/187289241.db2.gz	DHEICURLUADSKR-GJZGRUSLSA-N	0	0	206.373	5.115	40	0		BKABRN
CC(C)=CCC[C@H](C)[C@@H]1CC=C(C)CC1	ZINC000095884162	188321780	/nfs/dbraw/zinc/32/17/80/188321780.db2.gz	DHEICURLUADSKR-LSDHHAIUSA-N	0	0	206.373	5.115	40	0		BKABRN
CC(C)=CCC[C@@H](C)[C@@H]1CC=C(C)CC1	ZINC000095884163	188148033	/nfs/dbraw/zinc/14/80/33/188148033.db2.gz	DHEICURLUADSKR-HUUCEWRRSA-N	0	0	206.373	5.115	40	0		BKABRN
CC(C)=CC[C@H](C)CC[C@H](C)CCC(C)C	ZINC000095884392	384404903	/nfs/dbraw/zinc/40/49/03/384404903.db2.gz	URRHKOYTHDCSDA-JKSUJKDBSA-N	0	0	224.432	5.831	40	0		BKABRN
CC(C)=CC[C@H](C)CC[C@@H](C)CCC(C)C	ZINC000095884393	384404893	/nfs/dbraw/zinc/40/48/93/384404893.db2.gz	URRHKOYTHDCSDA-HOTGVXAUSA-N	0	0	224.432	5.831	40	0		BKABRN
CC(C)=CC[C@@H](C)CC[C@@H](C)CCC(C)C	ZINC000095884394	384404164	/nfs/dbraw/zinc/40/41/64/384404164.db2.gz	URRHKOYTHDCSDA-CVEARBPZSA-N	0	0	224.432	5.831	40	0		BKABRN
CC[C@@H]1CCC[C@@H]1C(C)(C)[C@@H]1CCC[C@@H]1CC	ZINC000095889681	344357773	/nfs/dbraw/zinc/35/77/73/344357773.db2.gz	SJRCFDWOCMCMGM-SYMSYNOKSA-N	0	0	236.443	5.665	40	0		BKABRN
CCCCCCC(=O)c1ccc(CCCC)cc1	ZINC000095916145	384407126	/nfs/dbraw/zinc/40/71/26/384407126.db2.gz	HQCQXJFNHCVBDB-UHFFFAOYSA-N	0	0	246.394	5.182	40	0		BKABRN
CCCCCCC(=O)c1ccc(C(C)(C)C)cc1	ZINC000095916159	384407421	/nfs/dbraw/zinc/40/74/21/384407421.db2.gz	JHVZZROGZAGDLO-UHFFFAOYSA-N	0	0	246.394	5.137	40	0		BKABRN
CCCCC[C@H]1CC[C@H](c2ccc(O)cc2)CC1	ZINC000100015067	386506269	/nfs/dbraw/zinc/50/62/69/386506269.db2.gz	QRAZRBGYBYIGRL-GASCZTMLSA-N	0	0	246.394	5.246	40	0		BKABRN
C/C=C/[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1	ZINC000100021699	384277877	/nfs/dbraw/zinc/27/78/77/384277877.db2.gz	IASLDLGGHXYCEO-KCZYPMBYSA-N	0	0	248.454	5.975	40	0		BKABRN
CCCCCC(Cl)(CC)CCCCC	ZINC000104040963	384795037	/nfs/dbraw/zinc/79/50/37/384795037.db2.gz	VAJLVFHDHBMJHR-UHFFFAOYSA-N	0	0	218.812	5.535	40	0		BKABRN
CC(C)C1=C(C2CCCCC2)C[C@H](C)CC1	ZINC000104141484	187292113	/nfs/dbraw/zinc/29/21/13/187292113.db2.gz	QAFWFFVYHNVNPM-CYBMUJFWSA-N	0	0	220.400	5.339	40	0		BKABRN
CCCCC=C([C@@H]1CCC[C@@H]1C)[C@@H]1CCC[C@@H]1C	ZINC000104186234	384811588	/nfs/dbraw/zinc/81/15/88/384811588.db2.gz	JOHZOKNMLXPXQL-MWDXBVQZSA-N	0	0	248.454	5.975	40	0		BKABRN
CCCCC=C([C@@H]1CCC[C@@H]1C)[C@H]1CCC[C@@H]1C	ZINC000104186237	384811518	/nfs/dbraw/zinc/81/15/18/384811518.db2.gz	JOHZOKNMLXPXQL-LUKYLMHMSA-N	0	0	248.454	5.975	40	0		BKABRN
CCCCC=C([C@@H]1CCC[C@H]1C)[C@@H]1CCC[C@@H]1C	ZINC000104186241	384810502	/nfs/dbraw/zinc/81/05/02/384810502.db2.gz	JOHZOKNMLXPXQL-YYIAUSFCSA-N	0	0	248.454	5.975	40	0		BKABRN
CCCCC=C([C@@H]1CCC[C@@H]1C)[C@H]1CCC[C@H]1C	ZINC000104186242	384810715	/nfs/dbraw/zinc/81/07/15/384810715.db2.gz	JOHZOKNMLXPXQL-ZYGGUILKSA-N	0	0	248.454	5.975	40	0		BKABRN
CCC/C(=C(\C)c1ccccc1)c1ccccc1	ZINC000104254044	398324183	/nfs/dbraw/zinc/32/41/83/398324183.db2.gz	VSRLHPGHDYXVQT-SDXDJHTJSA-N	0	0	236.358	5.417	40	0		BKABRN
CCC/C(=C(/C)c1ccccc1)c1ccccc1	ZINC000104254047	398324278	/nfs/dbraw/zinc/32/42/78/398324278.db2.gz	VSRLHPGHDYXVQT-OBGWFSINSA-N	0	0	236.358	5.417	40	0		BKABRN
C/C=C(C)/C=C\C[C@@H](C)CCC=C(C)C	ZINC000104317239	188505744	/nfs/dbraw/zinc/50/57/44/188505744.db2.gz	GIBJEWOSWWYJSK-VZXWMTOASA-N	0	0	206.373	5.281	40	0		BKABRN
C/C=C(C)\C=C/C[C@@H](C)CCC=C(C)C	ZINC000104317243	384821072	/nfs/dbraw/zinc/82/10/72/384821072.db2.gz	GIBJEWOSWWYJSK-LRULAVAVSA-N	0	0	206.373	5.281	40	0		BKABRN
C/C=C(C)\C=C\C[C@@H](C)CCC=C(C)C	ZINC000104317248	384821087	/nfs/dbraw/zinc/82/10/87/384821087.db2.gz	GIBJEWOSWWYJSK-PFBMOGJJSA-N	0	0	206.373	5.281	40	0		BKABRN
CC[C@]1(C)CC[C@](C)(CC)c2cc(C)ccc21	ZINC000104324945	171203663	/nfs/dbraw/zinc/20/36/63/171203663.db2.gz	RWCYJMONVSSXBD-SJORKVTESA-N	0	0	230.395	5.124	40	0		BKABRN
Cc1ccc(CC[C@@H](C)c2ccc(C)cc2)cc1	ZINC000104376720	384824249	/nfs/dbraw/zinc/82/42/49/384824249.db2.gz	UIJQNSFKBMRDKM-MRXNPFEDSA-N	0	0	238.374	5.040	40	0		BKABRN
c1cc(C2CCCCC2)cc(C2CCCCC2)c1	ZINC000114354828	345756592	/nfs/dbraw/zinc/75/65/92/345756592.db2.gz	TUWRHJHVTBVNSM-UHFFFAOYSA-N	0	0	242.406	5.782	40	0		BKABRN
CCC[C@H]1CC[C@@H](c2ccc(CC)cc2)CC1	ZINC000142712802	345874019	/nfs/dbraw/zinc/87/40/19/345874019.db2.gz	OYOBZVHPZUVLSF-JCNLHEQBSA-N	0	0	230.395	5.323	40	0		BKABRN
CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CC)CC2)CC1	ZINC000144384271	259349068	/nfs/dbraw/zinc/34/90/68/259349068.db2.gz	KORMYSCDCHFFMN-HMQPTBHHSA-N	0	0	236.443	5.809	40	0		BKABRN
CC[Si](/C=C(\C)C(C)(C)C)(CC)CC	ZINC000195779887	487769509	/nfs/dbraw/zinc/76/95/09/487769509.db2.gz	DPLDHRCPWOTBQX-VAWYXSNFSA-N	0	0	212.453	5.027	40	0		BKABRN
Cc1cccc(-c2cc3cc(Cl)ccc3o2)c1	ZINC000196917168	178993586	/nfs/dbraw/zinc/99/35/86/178993586.db2.gz	BLNJLVMGDHBZKG-UHFFFAOYSA-N	0	0	242.705	5.062	40	0		BKABRN
Cc1ccccc1-c1cc2cc(Cl)ccc2o1	ZINC000216944073	179235109	/nfs/dbraw/zinc/23/51/09/179235109.db2.gz	KVCRNIMXWDOQHK-UHFFFAOYSA-N	0	0	242.705	5.062	40	0		BKABRN
Clc1csc2cc(-c3ccccc3)ccc12	ZINC000228922509	527002465	/nfs/dbraw/zinc/00/24/65/527002465.db2.gz	NFGUIGOXTZAGSN-UHFFFAOYSA-N	0	0	244.746	5.222	40	0		BKABRN
CCCC[C@@H](CC)[C@H](O)C[C@@H](CC)CCCC	ZINC000252894378	169000084	/nfs/dbraw/zinc/00/00/84/169000084.db2.gz	VKGMVPAEGSTCFA-ARFHVFGLSA-N	0	0	242.447	5.170	40	0		BKABRN
CCCC[C@@H](CC)[C@@H](O)C[C@@H](CC)CCCC	ZINC000252894379	168999624	/nfs/dbraw/zinc/99/96/24/168999624.db2.gz	VKGMVPAEGSTCFA-XHSDSOJGSA-N	0	0	242.447	5.170	40	0		BKABRN
CCCC[C@H]1CC[C@H](c2ccc(F)cc2)CC1	ZINC000253380185	521250989	/nfs/dbraw/zinc/25/09/89/521250989.db2.gz	AXRDIWHRFIAPOE-HDJSIYSDSA-N	0	0	234.358	5.290	40	0		BKABRN
CC1=CCCC(C)=CCC(C)(C)C=CC1	ZINC000253666771	188193731	/nfs/dbraw/zinc/19/37/31/188193731.db2.gz	FAMPSKZZVDUYOS-UHFFFAOYSA-N	0	0	204.357	5.035	40	0	in-vitro	BKABRN
C1=CC2=C3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3[C@H]2C=C1	ZINC000255004105	187330560	/nfs/dbraw/zinc/33/05/60/187330560.db2.gz	OQSNGGIKIXDODT-NZPGVSJUSA-N	0	0	240.390	5.035	40	0		BKABRN
C1=CC2=C3CCCC[C@@H]3[C@@H]3CCCC[C@H]3[C@H]2C=C1	ZINC000255004111	388595380	/nfs/dbraw/zinc/59/53/80/388595380.db2.gz	OQSNGGIKIXDODT-PLYYQAHHSA-N	0	0	240.390	5.035	40	0		BKABRN
C1=CC2=C3CCCC[C@@H]3[C@@H]3CCCC[C@H]3[C@@H]2C=C1	ZINC000255004112	188193788	/nfs/dbraw/zinc/19/37/88/188193788.db2.gz	OQSNGGIKIXDODT-SIUPPRGNSA-N	0	0	240.390	5.035	40	0		BKABRN
C1=CC2=C3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3[C@@H]2C=C1	ZINC000255004113	187841654	/nfs/dbraw/zinc/84/16/54/187841654.db2.gz	OQSNGGIKIXDODT-UWIFEVILSA-N	0	0	240.390	5.035	40	0		BKABRN
O=C1CCCC=CCCCCCCCCCC1	ZINC000256167693	633133189	/nfs/dbraw/zinc/13/31/89/633133189.db2.gz	ABRIMXGLNHCLIP-UHFFFAOYSA-N	0	0	236.399	5.197	40	0		BKABRN
CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CC)CC2)CC1	ZINC000267327334	369295104	/nfs/dbraw/zinc/29/51/04/369295104.db2.gz	KORMYSCDCHFFMN-GARHLSDISA-N	0	0	236.443	5.809	40	0		BKABRN
CCCC[C@@H](C)CCCCC(C)(C)CCC	ZINC000299754536	369362407	/nfs/dbraw/zinc/36/24/07/369362407.db2.gz	HCSZKRZYFPDYKK-OAHLLOKOSA-N	0	0	226.448	6.199	40	0		BKABRN
C1=CCCCCCCCCCCCCC1	ZINC000299888249	369366700	/nfs/dbraw/zinc/36/67/00/369366700.db2.gz	BKUVLGADJFPJRI-UHFFFAOYSA-N	0	0	208.389	5.628	40	0		BKABRN
CC[C@@H]1CCC[C@H]1C(C)(C)[C@H]1CCC[C@H]1CC	ZINC000299888659	369367500	/nfs/dbraw/zinc/36/75/00/369367500.db2.gz	SJRCFDWOCMCMGM-FPCVCCKLSA-N	0	0	236.443	5.665	40	0		BKABRN
CC[C@@H]1CCC[C@@H]1C(C)(C)[C@H]1CCC[C@@H]1CC	ZINC000299888660	369367760	/nfs/dbraw/zinc/36/77/60/369367760.db2.gz	SJRCFDWOCMCMGM-FZKCQIBNSA-N	0	0	236.443	5.665	40	0		BKABRN
CC[C@@H]1CCC[C@@H]1C(C)(C)[C@H]1CCC[C@H]1CC	ZINC000299888661	369367680	/nfs/dbraw/zinc/36/76/80/369367680.db2.gz	SJRCFDWOCMCMGM-WCVJEAGWSA-N	0	0	236.443	5.665	40	0		BKABRN
O=C1CCCCCCC=CCCCCCCC1	ZINC000299888833	385386893	/nfs/dbraw/zinc/38/68/93/385386893.db2.gz	ZGEHHVDYDNXYMW-UHFFFAOYSA-N	0	0	236.399	5.197	40	0		BKABRN
C/C=C\C1CCC([C@H]2CC[C@H](CCC)CC2)CC1	ZINC000328987083	398296069	/nfs/dbraw/zinc/29/60/69/398296069.db2.gz	IASLDLGGHXYCEO-XQDSDIOFSA-N	0	0	248.454	5.975	40	0		BKABRN
C/C=C\[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1	ZINC000584578761	387064097	/nfs/dbraw/zinc/06/40/97/387064097.db2.gz	IASLDLGGHXYCEO-YGOMSEFUSA-N	0	0	248.454	5.975	40	0		BKABRN