smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc2c3ccccc3ccc2c2ccccc12	2077483	ASVDRLYVNFOSCI-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
c1ccc2c(c1)ccc1ccc3ccccc3c12	2040927	TUAHORSUHVUKBD-UHFFFAOYSA-N	228.294	5.146	5	50	BKBA	biogenic,in-vitro
c1cccc2cc3ccccccc3cc2cc1	71785816	AKBGFTAKVFDTJN-UHFFFAOYSA-N	230.310	5.117	5	50	BKBA	
Cc1ccc2c(ccc3ccc4ccccc4c32)c1	1632866	HFBPJADWYSMWGU-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	biogenic,in-vitro
Cc1ccc2cc3c(ccc4ccccc43)cc2c1	1601912	KYJPMPXTXCFCRM-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
Cc1ccc(C)c2cc3c(C)ccc(C)c3cc12	3122136	OCFNRIXVFFNDKR-UHFFFAOYSA-N	234.342	5.227	5	50	BKBA	biogenic
c1ccc2c(c1)sc1c3ccccc3sc21	478664	NXCSDJOTXUWERI-UHFFFAOYSA-N	240.352	5.269	5	50	BKBA	
N#[N+]c1ccc2ccc3cccc4ccc1c2c34	4831566	BWHQWOHPLXSTGY-UHFFFAOYSA-N	229.262	5.069	5	50	BKBA	
CCCCCc1cc2ccccc2c2ccccc12	3132643	UQZRADYVCAKDRA-UHFFFAOYSA-N	248.369	5.726	5	50	BKBA	
Cc1cc2cc3ccccc3cc2c2ccccc12	2143276	NYTXDSVUTXAPTH-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
Fc1cc2c3ccccc3ccc2c2ccccc12	1724368	JBHMYABKQWIXDE-UHFFFAOYSA-N	246.284	5.285	5	50	BKBA	
Cc1ccc2cc3ccc4ccccc4c3cc2c1	1601909	WUMGYHICFXGLAB-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
c1ccc2c(c1)ccc1sc3ccccc3c12	2040922	XZUMOEVHCZXMTR-UHFFFAOYSA-N	234.323	5.208	5	50	BKBA	
C1=C[C@H]2C[C@H]1c1cc3cc4ccccc4cc3cc12	101051588	MBLHQXVJPQXIOT-GJZGRUSLSA-N	242.321	5.134	5	50	BKBA	
CCCC[N+](CCCC)(CCCC)CCCC	1706222	DZLFLBLQUQXARW-UHFFFAOYSA-N	242.471	5.004	5	50	BKBA	in-vivo
Cc1ccc2c(ccc3c4ccccc4ccc23)c1	2558814	PJVVBVYEMMJZCY-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
Cc1c2ccccc2cc2c1ccc1ccccc12	1661476	DIIFUCUPDHMNIV-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
Clc1cccc2cc3c(Cl)cccc3cc12	390868	SGUDFHYGRVFRTA-UHFFFAOYSA-N	247.124	5.300	5	50	BKBA	biogenic
Cc1cccc2ccc3ccc4ccccc4c3c12	1697510	MDYAQLRNUYAINB-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	
Cc1cc2ccccc2c2cc3ccccc3cc12	1601910	WOIBRJNTTODOPT-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
c1ccc2c(c1)ccc1c3ccccc3sc21	1570217	YEUHHUCOSQOCIX-UHFFFAOYSA-N	234.323	5.208	5	50	BKBA	biogenic,in-vitro
CC(C)CCc1c2ccccc2cc2ccccc12	3106186	JFGBXBLNBWLSLO-UHFFFAOYSA-N	248.369	5.582	5	50	BKBA	
Clc1c2ccccc2c(Cl)c2ccccc12	407116	FKDIWXZNKAZCBY-UHFFFAOYSA-N	247.124	5.300	5	50	BKBA	in-vitro
c1ccc2c(c1)c1ccccc1c1ccccc21	1688068	SLGBZMMZGDRARJ-UHFFFAOYSA-N	228.294	5.146	5	50	BKBA	biogenic,in-vitro
Cc1cccc2c1ccc1ccc3ccccc3c12	2530743	SBDIEAITSKXPKN-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	
c1cc2c3c(c1)ccc1ccc4cccc-2c4c13	1570229	YEIHPPOCKIHUQJ-UHFFFAOYSA-N	226.278	5.127	5	50	BKBA	biogenic,in-vitro
Cc1cc2ccc3ccccc3c2c2ccccc12	1722250	PSEUAMGCKSRKQL-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	
Clc1cc2cc3ccccc3cc2cc1Cl	71784963	NRMXAJPZWJTBKE-UHFFFAOYSA-N	247.124	5.300	5	50	BKBA	
Cc1ccc(C)c2c(C)c3c(C)ccc(C)c3cc12	3122137	HNVBPUSFQGBRBB-UHFFFAOYSA-N	248.369	5.535	5	50	BKBA	
Cc1ccc2ccc3c4ccccc4ccc3c2c1	1722248	JLIHUJWAXSZIHS-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
CC(C)c1c2ccccc2cc2ccccc12	3106199	LQRJPEHNMOASNZ-UHFFFAOYSA-N	220.315	5.116	5	50	BKBA	
Cc1cccc2c1ccc1c3ccccc3ccc21	2558813	LQKGSLMFGWWLIU-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	biogenic,in-vitro
Clc1ccc(Cl)c2cc3ccccc3cc12	391714	QGFHQIHSEPNVKV-UHFFFAOYSA-N	247.124	5.300	5	50	BKBA	
Cc1ccc2ccc3ccc4ccccc4c3c2c1	2530742	BJUXRTTZOOHUQP-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	
c1ccc2cc3cc4ccccc4cc3cc2c1	2041197	IFLREYGFSNHWGE-UHFFFAOYSA-N	228.294	5.146	5	50	BKBA	in-vitro
C/C=C/c1cc2ccccc2c2ccccc12	71787017	ISCZIAZISMKOJW-FARCUNLSSA-N	218.299	5.026	5	50	BKBA	
c1ccc2cc3c(cc2c1)sc1ccccc13	2040909	UWMISBRPSJFHIR-UHFFFAOYSA-N	234.323	5.208	5	50	BKBA	
c1cc2ccc3c(ccc4ccsc43)c2s1	86032106	MOZTVOICZIVCFC-UHFFFAOYSA-N	240.352	5.269	5	50	BKBA	
c1ccc2cc3cc4c(cc3cc2c1)[C@H]1CC[C@H]4C1	101051607	QAOZCLATAQFEQB-GJZGRUSLSA-N	244.337	5.358	5	50	BKBA	
Cc1cccc2cc3c(ccc4ccccc43)cc12	1601911	IJGWKTGQVIDRLA-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
c1ccc2c(c1)ccc1c3ccccc3ccc21	1693315	WDECIBYCCFPHNR-UHFFFAOYSA-N	228.294	5.146	5	50	BKBA	biogenic,in-vitro
Cc1cccc2c1ccc1cc3ccccc3cc12	2530746	VXYNNEYZRYFXBG-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
CCCCc1cc2ccccc2c2ccccc12	2565527	BBQLNZRCZBCVPI-UHFFFAOYSA-N	234.342	5.336	5	50	BKBA	
Cc1cccc2ccc3cc4ccccc4cc3c12	2530747	MWMBCXXTFFHALK-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
Cc1ccc2c(ccc3cc4ccccc4cc32)c1	1601915	VYZKVUIQCRWXJH-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
c1ccc2cc3c(ccc4ccccc43)cc2c1	1661474	DXBHBZVCASKNBY-UHFFFAOYSA-N	228.294	5.146	5	50	BKBA	biogenic,in-vitro
Cc1cc2ccccc2c2ccc3ccccc3c12	1599943	GOHBXWHNJHENRX-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
Cc1cccc2ccc3c4ccccc4ccc3c12	2558815	BLVHWJCLSMYFMT-UHFFFAOYSA-N	242.321	5.455	5	50	BKBA	in-vitro
CC(C)(C)c1ccc2cc3ccccc3cc2c1	2242726	WBPXZSIKOVBSAS-UHFFFAOYSA-N	234.342	5.291	5	50	BKBA	
C/C=C\c1cc2ccccc2c2ccccc12	71787016	ISCZIAZISMKOJW-UQCOIBPSSA-N	218.299	5.026	5	50	BKBA