smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc(/N=C/c2ccccc2Cl)cc1C	72389	DXOLDRJRBQMGRA-LICLKQGHSA-N	243.737	4.707	30	30	BJEC	
C=C(CCCCCC)[C@H](O)CCc1ccccc1	90430813	BHKZYWJCRNCEFL-QGZVFWFLSA-N	246.394	4.507	30	30	BJEC	
CCCC[C@@](C=O)(C=C=C(C)CC(C)C)CC	5822275	ITZDNKGGBCYBBR-ZEJBCBFPSA-N	236.399	4.919	30	30	BJEC	
C#C/C=C(C)/C=C/[C@@H]1[C@@H](C)CCCC1(C)C	205421478	ZRPILLJHDCJTJP-AHGXNWMKSA-N	216.368	4.585	30	30	BJEC	
CCCCCCCCC[C@H](O)CCCC	2510100	UCEOYIRETCABER-CQSZACIVSA-N	214.393	4.678	30	30	BJEC	
CCCCCCCCCc1ccc(O)c(C)c1	59284435	LUQSSEXHMSLJQS-UHFFFAOYSA-N	234.383	4.994	30	30	BJEC	
C#C/C=C(C)/C=C/[C@@H]1[C@H](C)CCCC1(C)C	205421461	ZRPILLJHDCJTJP-JXHFBENGSA-N	216.368	4.585	30	30	BJEC	
CCCCCCCCCCC[C@H](C)C(=O)OC	2002583	HWADSXPGNJZHGI-AWEZNQCLSA-N	242.403	4.716	30	30	BJEC	biogenic
C=C(C)C[C@@H](C)c1ccc(C(F)(F)F)cc1	136944951	LCDFIJCBLKTDIJ-SNVBAGLBSA-N	228.257	4.775	30	30	BJEC	
CCC1(CC)CC(=O)C(C)=C(C)[C@]1(C)CC	98090714	JAXDNXNTJWNZKE-AWEZNQCLSA-N	222.372	4.518	30	30	BJEC	
C/C(=N\c1ccc(Cl)cc1)c1ccsc1	13465887	OYCUKWNDZVKANQ-NTEUORMPSA-N	235.739	4.542	30	30	BJEC	
CCCCCC[C@@H]1O[C@H]1CCCCCC	38171592	NAPIHVDJYKONON-KBPBESRZSA-N	212.377	4.695	30	30	BJEC	
C=C(CCCCCC)[C@@H](O)CCc1ccccc1	90430815	BHKZYWJCRNCEFL-KRWDZBQOSA-N	246.394	4.507	30	30	BJEC	
C=C1CCCC(C)(C)[C@@]12CC=C(C)CC2	968468	WLNGPDPILFYWKF-OAHLLOKOSA-N	204.357	4.869	30	30	BJEC	biogenic,in-vitro
CCCCCCCCCCCCC[C]=O	585138970	RLSSKEPLTFVCGD-UHFFFAOYSA-N	211.369	4.797	30	30	BJEC	
C=C1C=C[C@@H]([C@@H](C)CCC=C(C)C)CC1	62233814	PHWISBHSBNDZDX-LSDHHAIUSA-N	204.357	4.891	30	30	BJEC	endogenous,in-man
C=CC[C@]1(C=O)CC=C(CCC=C(C)C)CC1	5158713	YITNGWUNAUULCK-INIZCTEOSA-N	232.367	4.605	30	30	BJEC	
C=C(C)[C@@H]1CCC2=CC=C[C@H](C)[C@@]2(C)C1	111899771	NJUGTTLPVRLVGH-GZBFAFLISA-N	202.341	4.501	30	30	BJEC	
C=C(C)[C@@H]1CCC2=CC=C[C@H](C)[C@]2(C)C1	111899775	NJUGTTLPVRLVGH-GUTXKFCHSA-N	202.341	4.501	30	30	BJEC	
CCCCCCCC[C@](C)(S)CC	111892899	HOYBEZVNIJFLHG-GFCCVEGCSA-N	202.407	4.836	30	30	BJEC	
CCCCCCCCCCCC(=N)OC	100293268	UTJZJSYTQLJDPG-UHFFFAOYSA-N	213.365	4.531	30	30	BJEC	
CC1=C(CC=O)[C@@]2(C)CCCC(C)(C)[C@H]2CC1	5766560	PXUZFGJDDMUKKY-GDBMZVCRSA-N	234.383	4.518	30	30	BJEC	biogenic
C=C(CC)CCCC(C)(C)OC(=O)CCCC	38647785	AHRBCOJLJNGMPZ-UHFFFAOYSA-N	240.387	4.635	30	30	BJEC	
C#C/C=C(C)/C=C/[C@H]1[C@@H](C)CCCC1(C)C	205421503	ZRPILLJHDCJTJP-OOPSTWKLSA-N	216.368	4.585	30	30	BJEC	
CCC[C@H](C)C[C@@](C)(S)CC(C)C	33606995	UHWKUFSXTLGDBC-RYUDHWBXSA-N	202.407	4.547	30	30	BJEC	
CCCCCCCCC(=O)CCCCC	1606027	OAFHCOXSIJKFEV-UHFFFAOYSA-N	212.377	4.886	30	30	BJEC	
CC1=C(CC=O)[C@]2(C)CCCC(C)(C)[C@H]2CC1	5766523	PXUZFGJDDMUKKY-ZBFHGGJFSA-N	234.383	4.518	30	30	BJEC	biogenic
CCCCCCCCCC(=O)OC[C@@H](C)CC	111885918	JRJPVFOFQVUVLG-AWEZNQCLSA-N	242.403	4.716	30	30	BJEC	in-vitro
N#CCc1cc2ccc3cccc4ccc(c1)c2c34	1041347	AXTONQSVCXAXGI-UHFFFAOYSA-N	241.293	4.650	30	30	BJEC	
CCCCCCCc1cc(Cl)ccc1O	2016914	LAMKHMJVAKQLOO-UHFFFAOYSA-N	226.747	4.559	30	30	BJEC	
CCC[C@@H](C)C[C@@](C)(S)CC(C)C	33606994	UHWKUFSXTLGDBC-NEPJUHHUSA-N	202.407	4.547	30	30	BJEC	
CCCCCCCCCC(=O)OC[C@H](C)CC	111885921	JRJPVFOFQVUVLG-CQSZACIVSA-N	242.403	4.716	30	30	BJEC	in-vitro
CCCCCCCCCCC[C@@H](C)C(=O)OC	2002582	HWADSXPGNJZHGI-CQSZACIVSA-N	242.403	4.716	30	30	BJEC	biogenic
C=C(C)[C@@H]1CC[C@@H](C)[C@@]12CC=C(C)CC2	62237781	DVBSKQAFCDJNSL-ILXRZTDVSA-N	204.357	4.725	30	30	BJEC	biogenic,in-vitro
CCCCCCCCCCCCOC	100495238	JWCACDSKXWPOFF-UHFFFAOYSA-N	200.366	4.554	30	30	BJEC	
CCC[C@@](C)(S)CCCC(C)(C)C	33506765	IXJVTPOKVBQHRE-GFCCVEGCSA-N	202.407	4.691	30	30	BJEC	
CCCCCCCCCCCC(=O)OCCl	113648402	XCHDYWCWXAASER-UHFFFAOYSA-N	248.794	4.647	30	30	BJEC	
CCCCCCCCCC[C@H](C)S	100061470	UROXMPKAGAWKPP-LBPRGKRZSA-N	202.407	4.836	30	30	BJEC	
CCCCCCCCCC[C@H](O)CCC	2012731	HRDGAIGDKJXHIU-CQSZACIVSA-N	214.393	4.678	30	30	BJEC	biogenic
C=C(C)C[C@H](C)c1ccc(C(F)(F)F)cc1	136944920	LCDFIJCBLKTDIJ-JTQLQIEISA-N	228.257	4.775	30	30	BJEC	
C/C=C(/C)C(=O)OCCCCCCCCCC	103833193	UCGAWLWEQSSTNO-RZNTYIFUSA-N	240.387	4.637	30	30	BJEC	
CC(C)=CCC/C(C)=C/CC(C)(C)C#N	5158518	NFMTVOFPAPETFY-UKTHLTGXSA-N	205.345	4.619	30	30	BJEC	
CCCCCC/C=C/c1ccc(OC)cc1	103840006	BGPUSBQKFGABPH-CMDGGOBGSA-N	218.340	4.679	30	30	BJEC	
CCCCCCCCCC[C@H]1CS1	60272823	VRKMUVCLRNFYKO-LBPRGKRZSA-N	200.391	4.633	30	30	BJEC	
C=C1/C=C\[C@H](C(C)C)CC/C(C)=C\CC1	62592242	GAIBLDCXCZKKJE-ACWLMNNXSA-N	204.357	4.891	30	30	BJEC	biogenic,in-vitro
CCCCCCCCOc1ccc2[nH]ccc2c1	126505009	WUZNRNLJGSQNFT-UHFFFAOYSA-N	245.366	4.907	30	30	BJEC	
C=C(C)[C@@H]1CCC2=CC=C[C@@H](C)[C@]2(C)C1	111899774	NJUGTTLPVRLVGH-NFAWXSAZSA-N	202.341	4.501	30	30	BJEC	
CCC[C@H](C)C[C@](C)(S)CC(C)C	33606999	UHWKUFSXTLGDBC-NWDGAFQWSA-N	202.407	4.547	30	30	BJEC	
CCC[C@@H](C)C[C@](C)(S)CC(C)C	33606997	UHWKUFSXTLGDBC-VXGBXAGGSA-N	202.407	4.547	30	30	BJEC	
C=Cc1ccc(C(=O)CCCCCCC)cc1	115840915	ZMFLFMYBKRKQIK-UHFFFAOYSA-N	230.351	4.873	30	30	BJEC	
CCCCCC[C@H]1O[C@@H]1CCCCCC	34546293	NAPIHVDJYKONON-ZIAGYGMSSA-N	212.377	4.695	30	30	BJEC	
CCC[C@H]1CC[C@H](C2CCC(C#N)CC2)CC1	263583962	GPKWICXATIXXQY-OIBGERBOSA-N	233.399	4.923	30	30	BJEC	
C=C(C)[C@@H]1CCC2=CC=C[C@@H](C)[C@@]2(C)C1	111899769	NJUGTTLPVRLVGH-UMVBOHGHSA-N	202.341	4.501	30	30	BJEC	
C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CCC=C(C)C	70455029	PGBNIHXXFQBCPU-ILXRZTDVSA-N	204.357	4.725	30	30	BJEC	biogenic,in-vitro
CCCCCCCCCC[C@@H](C)S	100061467	UROXMPKAGAWKPP-GFCCVEGCSA-N	202.407	4.836	30	30	BJEC	
CCCCCCCCCC1CCC(O)CC1	78206076	YJIHHZAGMZFGKS-UHFFFAOYSA-N	226.404	4.678	30	30	BJEC	
C=C1/C=C/[C@H](C(C)C)CC/C(C)=C/CC1	30730221	GAIBLDCXCZKKJE-RXJOXMPGSA-N	204.357	4.891	30	30	BJEC	biogenic,in-vitro
CCCC[C@](C=O)(C=C=C(C)CC(C)C)CC	5821965	ITZDNKGGBCYBBR-BLSTVPOUSA-N	236.399	4.919	30	30	BJEC	
CC(C)C[P+](C)(CC(C)C)CC(C)C	60291283	BIUUTLHYFPFWRB-UHFFFAOYSA-N	217.357	4.602	30	30	BJEC	
CCCCCCCCCCOC(=O)CC(C)C	2568159	VKGHOXUAAAZEBE-UHFFFAOYSA-N	242.403	4.716	30	30	BJEC	
CC1=C(CC=O)[C@]2(C)CCCC(C)(C)[C@@H]2CC1	5766520	PXUZFGJDDMUKKY-HOCLYGCPSA-N	234.383	4.518	30	30	BJEC	biogenic
CCCCCCCCOC(=O)CCCCCC	86022667	XAZROQGRFWCMBU-UHFFFAOYSA-N	242.403	4.861	30	30	BJEC	endogenous,in-man
C=C[C@]1(C)CCC(=C(C)C)C[C@H]1C(=C)C	85644710	BQSLMQNYHVFRDT-LSDHHAIUSA-N	204.357	4.891	30	30	BJEC	biogenic,in-vitro
CCCCCCCCC(=O)OCCCCCC	95618220	GPHBCFMWKGZPRP-UHFFFAOYSA-N	242.403	4.861	30	30	BJEC	endogenous,in-man
C=C(C)[C@]12CCC[C@@]3(C)[C@@H]1CC[C@]3(C)C2	104258567	MTBNHGFRLZSOTC-LJISPDSOSA-N	204.357	4.559	30	30	BJEC	
CCC1(CC)CC(=O)C(C)=C(C)[C@@]1(C)CC	98090713	JAXDNXNTJWNZKE-CQSZACIVSA-N	222.372	4.518	30	30	BJEC	
C=C(C)[C@@H]1CC[C@@H](C)[C@]12CC=C(C)CC2	70454747	DVBSKQAFCDJNSL-QLFBSQMISA-N	204.357	4.725	30	30	BJEC	biogenic,in-vitro
CCCCCC/C=C\CCCCC(C)=O	100104940	ZFQMGOCRWDJUCX-HJWRWDBZSA-N	210.361	4.662	30	30	BJEC	
C=CCCCCCCCCCCCC=O	5631175	ZVJRAGVPKPPDKE-UHFFFAOYSA-N	210.361	4.662	30	30	BJEC	biogenic
CCC1CCC(c2cc(F)c(C#N)c(F)c2)CC1	44137032	AHMVWTCTRTWLHL-UHFFFAOYSA-N	249.304	4.520	30	30	BJEC	
CCCCCCC/C=C/CCCCOC	111902249	YPYDBPSWBZGYLW-MDZDMXLPSA-N	212.377	4.720	30	30	BJEC	
C=CCCc1ccc(-c2ccc(C)cc2)cc1	196973762	XOSOYQOUJQMUEH-UHFFFAOYSA-N	222.331	4.781	30	30	BJEC	
Cc1cccc(C)c1C(C#N)c1c(C)cccc1C	33604922	VELLWTFWQTXZAU-UHFFFAOYSA-N	249.357	4.576	30	30	BJEC	
C=C/C=C/C(=O)/C=C/C=C(\C)CCCC(C)C	148600505	WRLLYDMPXHJAQQ-RCOPWIKJSA-N	232.367	4.627	30	30	BJEC	
CCCCCC[C@@H]1O[C@@H]1CCCCCC	38171591	NAPIHVDJYKONON-OKILXGFUSA-N	212.377	4.695	30	30	BJEC	
CCCCCCCC(=O)CCCCCC	2564115	ZEKPOTWCBTUBEB-UHFFFAOYSA-N	212.377	4.886	30	30	BJEC	
CCCCCCCCCCCc1nc(C)c[nH]1	59440518	JQEVCCUJHLRAEY-UHFFFAOYSA-N	236.403	4.791	30	30	BJEC	
CCCCCCCC[C@@](C)(S)CC	111892901	HOYBEZVNIJFLHG-LBPRGKRZSA-N	202.407	4.836	30	30	BJEC	
CC1=C(CC=O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1	5766559	PXUZFGJDDMUKKY-GOEBONIOSA-N	234.383	4.518	30	30	BJEC	biogenic
CCC[C@](C)(S)CCCC(C)(C)C	33506766	IXJVTPOKVBQHRE-LBPRGKRZSA-N	202.407	4.691	30	30	BJEC	
CCCCCCCCc1c(C)cccc1O	114969352	DQOAJBWKJNRERL-UHFFFAOYSA-N	220.356	4.604	30	30	BJEC	
CCCCCCCCCOc1ccc(O)cc1	100768893	IPOLGHIMIPSIJX-UHFFFAOYSA-N	236.355	4.522	30	30	BJEC	
C=CC[C@@]1(C=O)CC=C(CCC=C(C)C)CC1	5158706	YITNGWUNAUULCK-MRXNPFEDSA-N	232.367	4.605	30	30	BJEC	
CCCCCCCCCC[C@@H](O)CCC	2012732	HRDGAIGDKJXHIU-AWEZNQCLSA-N	214.393	4.678	30	30	BJEC	biogenic
CCCCCCCCC[C@@H](O)CCCC	1606039	UCEOYIRETCABER-AWEZNQCLSA-N	214.393	4.678	30	30	BJEC	
CCCCCCCCCCCC(O)=S	2047531	GEJJECIDFXFUMI-UHFFFAOYSA-N	216.390	4.793	30	30	BJEC	
C=C1CC[C@@]2([C@H](C)CCC=C(C)C)C[C@@H]12	59066035	DYUSFBWNOCHOFP-ILXRZTDVSA-N	204.357	4.725	30	30	BJEC	biogenic,in-man
C#C/C=C(C)/C=C/[C@H]1[C@H](C)CCCC1(C)C	205421489	ZRPILLJHDCJTJP-VNPGGBDNSA-N	216.368	4.585	30	30	BJEC