smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(C)P(Cl)C(C)(C)C	95719226	MCRSZLVSRGTMIH-UHFFFAOYSA-N	180.659	4.219	50	50	AIGA	in-vitro
CC(C)(C)[C@@H](CCl)c1ccccc1	3075479	FZFNHYFMHDHABI-NSHDSACASA-N	196.721	4.055	50	50	AIGA	
ClCCCCCCCCCCl	1700005	JMGRNJZUQCEJDB-UHFFFAOYSA-N	197.149	4.195	50	50	AIGA	in-vitro
CCCCCCCCCC/C=C/C=O	1613339	VMUNAKQXJLHODT-VAWYXSNFSA-N	196.334	4.272	50	50	AIGA	endogenous,in-man
CCCCCCCCCCSC#N	1591764	SSHHEEVAWJSEPF-UHFFFAOYSA-N	199.363	4.341	50	50	AIGA	in-vitro
ClCCCCCCc1ccccc1	2560401	RCVNHNOEUMFFDY-UHFFFAOYSA-N	196.721	4.028	50	50	AIGA	in-vitro
CC(C)(C)[C@H](CCl)c1ccccc1	3075480	FZFNHYFMHDHABI-LLVKDONJSA-N	196.721	4.055	50	50	AIGA	
CCCCCCCCCCN=C=S	95698227	HFWWGJSMDPUEFD-UHFFFAOYSA-N	199.363	4.230	50	50	AIGA	
ClP(Cl)C1CCCCC1	100253878	MJEQIIGWDHUZJW-UHFFFAOYSA-N	185.034	4.109	50	50	AIGA	
CCCCCCCCCCCl	1693271	ZTEHOZMYMCEYRM-UHFFFAOYSA-N	176.731	4.366	50	50	AIGA	
CCC(C)(C)c1ccc(CCl)cc1	2162132	GZSVKIJGGVPFGX-UHFFFAOYSA-N	196.721	4.113	50	50	AIGA	in-vitro
N#CC1=CCCCCCCCCCC1	254382576	FVADXZSWPCBVPT-UHFFFAOYSA-N	191.318	4.351	50	50	AIGA	
N#C/C1=C/CCCCCCCCCC1	39246596	FVADXZSWPCBVPT-JLHYYAGUSA-N	191.318	4.351	50	50	AIGA	
CCCCP(Cl)CCCC	100652176	QPAZMDLULSVYMO-UHFFFAOYSA-N	180.659	4.222	50	50	AIGA	
CCCCCCCCCC/C=C\C=O	102262416	VMUNAKQXJLHODT-QXMHVHEDSA-N	196.334	4.272	50	50	AIGA	in-vitro