smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Nc1ccc2ccc3ccccc3c2c1	1577019	HUWRJSZODLRHMY-UHFFFAOYSA-N	193.249	3.575	5	50	AHBA	
Nc1ccc2c(ccc3ccccc32)c1	1594841	ZEAWSFHWVLOENK-UHFFFAOYSA-N	193.249	3.575	5	50	AHBA	
Oc1c2ccccc2cc2ccccc12	1671624	AUKRYONWZHRJRE-UHFFFAOYSA-N	194.233	3.699	5	50	AHBA	biogenic,in-vitro
Nc1cc2ccccc2c2ccccc12	1509324	KIHQWOBUUIPWAN-UHFFFAOYSA-N	193.249	3.575	5	50	AHBA	in-vivo
c1ccc2[s+]c3ccccc3nc2c1	6345376	LTOOVISGEYEBFR-UHFFFAOYSA-N	198.270	3.731	5	50	AHBA	
CCC[C@H]1CCC[C@H](CCC)[N+]1(C)C	1233464	NNTYPNKDOTXTAJ-STQMWFEESA-N	198.374	3.584	5	50	AHBA	
c1ccc2cc3ccccc3cc2c1	1586329	MWPLVEDNUUSJAV-UHFFFAOYSA-N	178.234	3.993	5	50	AHBA	biogenic,in-vitro
Nc1c2ccccc2cc2ccccc12	1714567	LHNICELDCMPPDE-UHFFFAOYSA-N	193.249	3.575	5	50	AHBA	in-vitro
CCC[C@@H]1CCC[C@@H](CCC)[N+]1(C)C	1233463	NNTYPNKDOTXTAJ-CHWSQXEVSA-N	198.374	3.584	5	50	AHBA	
Nc1cccc2cc3ccccc3cc12	1689948	YUENFNPLGJCNRB-UHFFFAOYSA-N	193.249	3.575	5	50	AHBA	in-vivo
c1ccc2cccc3cccc(c1)c23	71786300	LJMPQFUGXWHZLZ-UHFFFAOYSA-N	178.234	3.993	5	50	AHBA	
Oc1cc2ccccc2c2ccccc12	967824	DZKIUEHLEXLYKM-UHFFFAOYSA-N	194.233	3.699	5	50	AHBA	in-man
CCC[C@H]1CCC[C@@H](CCC)[N+]1(C)C	1233462	NNTYPNKDOTXTAJ-BETUJISGSA-N	198.374	3.584	5	50	AHBA	
Nc1ccc2cc3ccccc3cc2c1	1593346	YCSBALJAGZKWFF-UHFFFAOYSA-N	193.249	3.575	5	50	AHBA	in-vitro
Oc1cccc2c1ccc1ccccc12	967826	GTBXZWADMKOZQJ-UHFFFAOYSA-N	194.233	3.699	5	50	AHBA	in-man
Cc1c2ccccc2nc2ccccc12	4115667	FLDRLXJNISEWNZ-UHFFFAOYSA-N	193.249	3.696	5	50	AHBA	in-vitro
c1cc2c3c(c1)ccc1cccc(c13)C2	1569533	RKZDZWJDQTZDLD-UHFFFAOYSA-N	190.245	3.897	5	50	AHBA	
Cc1ccc2c(ccc3ccccc32)n1	1680651	SUHRSZJZYUCLOD-UHFFFAOYSA-N	193.249	3.696	5	50	AHBA	
c1cc2ccc3cccc4[nH]c(c1)c2c34	2040924	VQOUCGZKKPJLGH-UHFFFAOYSA-N	191.233	3.912	5	50	AHBA	in-vitro
c1ccc2c(c1)ccc1ccccc12	967819	YNPNZTXNASCQKK-UHFFFAOYSA-N	178.234	3.993	5	50	AHBA	biogenic,in-vitro
Oc1cccc2cc3ccccc3cc12	1661479	MUVQKFGNPGZBII-UHFFFAOYSA-N	194.233	3.699	5	50	AHBA	in-vitro