smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCC[C@@H]1CCC[C@H]2CCCC[C@H]12	55168182	SVAKAMBIIAHLSL-MGPQQGTHSA-N	194.362	4.783	0	50	AJAA	in-vitro
C(=C/C1CCCCC1)\C1CCCCC1	2173027	IWUAWQPCHKUUCI-VAWYXSNFSA-N	192.346	4.703	0	50	AJAA	
CCCC[C@@H]1CCC[C@@H]2CCCC[C@H]21	100229368	SVAKAMBIIAHLSL-RDBSUJKOSA-N	194.362	4.783	0	50	AJAA	in-vitro
CC(C)=C1CCC(C(C)(C)C)CC1	71782804	PDZIHQLAPPHQKA-UHFFFAOYSA-N	180.335	4.559	0	50	AJAA	
CCC1CCCCCCCCC1	71785333	MWVFVBBYAJKJME-UHFFFAOYSA-N	168.324	4.537	0	50	AJAA	
CCCC[C@H](CC)Cc1ccsc1	34291463	HWMQCIZYXLAJKM-NSHDSACASA-N	196.359	4.507	0	50	AJAA	in-vitro
CCCC[Si](CCCC)CCCC	195815013	ISEIIPDWJVGTQS-UHFFFAOYSA-N	199.434	4.882	0	50	AJAA	
CCCC[C@@H]1CCC[C@H]2CCCC[C@@H]12	100229375	SVAKAMBIIAHLSL-MCIONIFRSA-N	194.362	4.783	0	50	AJAA	in-vitro
CC[C@@H](C)B([C@H](C)CC)[C@H](C)CC	242728131	YUPAWYWJNZDARM-IJLUTSLNSA-N	182.160	4.882	0	50	AJAA	
Cc1cc(C)c(C(C)C)cc1C(C)C	1725969	PUPZFBLFGPJICA-UHFFFAOYSA-N	190.330	4.550	0	50	AJAA	in-vitro
CCCC[C@@H]1CCC[C@@H]2CCCC[C@@H]21	55168187	SVAKAMBIIAHLSL-HZSPNIEDSA-N	194.362	4.783	0	50	AJAA	in-vitro
Cc1ccc(C(C)C)cc2c(C)ccc1-2	968478	FWKQNCXZGNBPFD-UHFFFAOYSA-N	198.309	4.532	0	50	AJAA	endogenous,in-man
CCCCCCC1CCCCC1	1615765	QHWAQXOSHHKCFK-UHFFFAOYSA-N	168.324	4.537	0	50	AJAA	biogenic,in-vitro
CCCC[C@@H](CC)Cc1ccsc1	2392494	HWMQCIZYXLAJKM-LLVKDONJSA-N	196.359	4.507	0	50	AJAA	in-vitro
C1CCCCCCCCCCC1	54962163	DDTBPAQBQHZRDW-UHFFFAOYSA-N	168.324	4.681	0	50	AJAA	
Cc1cc(C(C)C)c(C)cc1C(C)C	1736680	MBEBPYJMHLBHDJ-UHFFFAOYSA-N	190.330	4.550	0	50	AJAA	in-vitro