smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCc1ccc2cc3ccccc3cc2c1	2005063	ZXAGXLDEMUNQSH-UHFFFAOYSA-N	206.288	4.555	5	50	BJBA	
Clc1cccc2cc3ccccc3cc12	1673062	SRIHSAFSOOUEGL-UHFFFAOYSA-N	212.679	4.646	5	50	BJBA	
CC1=Cc2ccc3c(ccc4ccccc43)c2C1	2518366	CTQXAKHIPNYJTH-UHFFFAOYSA-N	230.310	4.952	5	50	BJBA	
CSCc1c2ccccc2cc2ccccc12	2143267	RDAUVXVQAOJOSH-UHFFFAOYSA-N	238.355	4.856	5	50	BJBA	
CCc1c(C)c2ccccc2c2ccccc12	3124402	KEJXNUMQLIPTIV-UHFFFAOYSA-N	220.315	4.864	5	50	BJBA	
c1ccc2nc3c(cc2c1)sc1ccccc13	349581	XCXCAIVVLIUTPJ-UHFFFAOYSA-N	235.311	4.603	5	50	BJBA	
Cc1ccc2ccc3cccc4ccc1c2c34	1581009	KBSPJIWZDWBDGM-UHFFFAOYSA-N	216.283	4.892	5	50	BJBA	biogenic,in-vitro
c1ccc2c(c1)c1ccccc1c1ncccc21	2509922	RIYPENPUNLHEBK-UHFFFAOYSA-N	229.282	4.541	5	50	BJBA	
Nc1cc2c3ccccc3ccc2c2ccccc12	1482006	KIVUHCNVDWYUNP-UHFFFAOYSA-N	243.309	4.728	5	50	BJBA	
COc1ccc2ccc3cccc4ccc1c2c34	6019019	CPPFVJLHDNOVTN-UHFFFAOYSA-N	232.282	4.593	5	50	BJBA	in-man
CC(=O)c1ccc2ccc3cccc4ccc1c2c34	1691146	KCIJNJVCFPSUBQ-UHFFFAOYSA-N	244.293	4.787	5	50	BJBA	in-vitro
c1ccc2c(c1)ccc1c3ccccc3oc21	5935249	BCBSVZISIWCHFM-UHFFFAOYSA-N	218.255	4.739	5	50	BJBA	biogenic
C1=Cc2ccc3c(ccc4ccccc43)c2C1	2518353	LFVNLPNQKQNMJU-UHFFFAOYSA-N	216.283	4.562	5	50	BJBA	
Clc1c2ccccc2cc2ccccc12	1730086	KULLJOPUZUWTMF-UHFFFAOYSA-N	212.679	4.646	5	50	BJBA	
C=Cc1c2ccccc2cc2ccccc12	1592595	OGOYZCQQQFAGRI-UHFFFAOYSA-N	204.272	4.636	5	50	BJBA	
Cc1c2ccccc2c(C)c2ccccc12	1673064	JTGMTYWYUZDRBK-UHFFFAOYSA-N	206.288	4.610	5	50	BJBA	biogenic,in-vitro
CCCC(=O)c1cc2ccccc2c2ccccc12	3132313	NWYYYJSVKAUHMO-UHFFFAOYSA-N	248.325	4.976	5	50	BJBA	
c1ccc2nc3c(ccc4ccccc43)cc2c1	3876019	OAPPEBNXKAKQGS-UHFFFAOYSA-N	229.282	4.541	5	50	BJBA	biogenic,in-vitro
c1ccc2c(c1)ccc1oc3ccccc3c12	4991219	XVWNNQQHTXDOLJ-UHFFFAOYSA-N	218.255	4.739	5	50	BJBA	
CCc1cc2ccccc2c2ccccc12	1757222	ZWANHXINCHPSIK-UHFFFAOYSA-N	206.288	4.555	5	50	BJBA	
CC(C)c1cc(C(C)C)c([N+](=O)[O-])c(C(C)C)c1	42129	FGBSHFPGPYKJJD-UHFFFAOYSA-N	249.354	4.965	5	50	BJBA	
Clc1cc2ccccc2c2ccccc12	1644077	CJWHZQNUDAJJSB-UHFFFAOYSA-N	212.679	4.646	5	50	BJBA	in-vitro
c1ccc2cc3c(cc2c1)oc1ccccc13	4262222	FTMRMQALUDDFQO-UHFFFAOYSA-N	218.255	4.739	5	50	BJBA	biogenic
Clc1ccc2cc3ccccc3cc2c1	1600622	OWFINXQLBMJDJQ-UHFFFAOYSA-N	212.679	4.646	5	50	BJBA	
c1ccc2nc3ccc4ccccc4c3cc2c1	3876018	JEGZRTMZYUDVBF-UHFFFAOYSA-N	229.282	4.541	5	50	BJBA	biogenic,in-vitro
O=C1CCCc2ccc3cc4ccccc4cc3c21	4528605	LVBDYVLCOBUBNZ-UHFFFAOYSA-N	246.309	4.512	5	50	BJBA	
CCc1ccc2c(ccc3ccccc32)c1	49588605	UMAHMIHRNVICDZ-UHFFFAOYSA-N	206.288	4.555	5	50	BJBA	
c1cc2ccc3cccc4ccc(c1)c2c34	1758808	BBEAQIROQSPTKN-UHFFFAOYSA-N	202.256	4.584	5	50	BJBA	biogenic,in-man
Cc1ccc2cc3cc(C)ccc3cc2c1	2034428	AYRABHFHMLXKBT-UHFFFAOYSA-N	206.288	4.610	5	50	BJBA	biogenic,in-vitro
Cc1ccc2ccc3ccc(C)cc3c2c1	1000254	OMIBPZBOAJFEJS-UHFFFAOYSA-N	206.288	4.610	5	50	BJBA	biogenic,in-vitro
Cc1ccc2cc3ccc(C)cc3cc2c1	1845687	CFDDCSMNZFPVTH-UHFFFAOYSA-N	206.288	4.610	5	50	BJBA	biogenic