smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCCCCCCn1ccc2ccccc21	100472669	ZUPSYUPZEVMBDK-UHFFFAOYSA-N	243.394	5.392	30	30	BKEC	in-vitro
CC/C=C/C=C/CCCCCCCCCC=O	5761858	ZTJGMVSDMQAJPE-VNKDHWASSA-N	236.399	5.219	30	30	BKEC	in-vitro
CCCCCCCCCC/C=C/Cl	2510304	TWZIVEXYNWAOMT-VAWYXSNFSA-N	202.769	5.270	30	30	BKEC	
CCCCCCCCCCCCCS	1587634	IPBROXKVGHZHJV-UHFFFAOYSA-N	216.434	5.227	30	30	BKEC	
C=CCC1=C[C@@H]2[C@H](CC1)C(C)(C)[C@@H](C)C2(C)C	256083193	IZJSQGHVYBMLTF-VHDGCEQUSA-N	232.411	5.217	30	30	BKEC	
CCCCCCCC(=S)O[C@H](C)CCCC	223543495	SOGISJHMSWSQBK-CYBMUJFWSA-N	244.444	5.270	30	30	BKEC	
C=C(CCCC)CCCCCCCCCC	100086666	ZNKXDVLPLNHVGQ-UHFFFAOYSA-N	224.432	6.264	30	30	BKEC	
CCCCCCCCCCCC(=O)CCC	1606030	QCJWNUNXTZOXCF-UHFFFAOYSA-N	226.404	5.277	30	30	BKEC	
C=CCCCCC/C=C/C/C=C/C/C=C/CC	85487736	JXRNMQDTJAQLAQ-LIFWOIOZSA-N	232.411	5.982	30	30	BKEC	biogenic,in-vitro
C=C(CCCCCC)c1cccc2ccccc12	100034565	IWMASCNMBSCMQB-UHFFFAOYSA-N	238.374	5.823	30	30	BKEC	
CCCCCCCCCc1cc(C)cc(C)c1O	140821198	BPZHOENCTZZEFP-UHFFFAOYSA-N	248.410	5.302	30	30	BKEC	
CCCCCCCSCCC1CCCCC1	141262206	VVIKGNXSVFNZNR-UHFFFAOYSA-N	242.472	5.660	30	30	BKEC	
CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C#N)CC2)CC1	267327691	OATWNKBEABCVRD-GARHLSDISA-N	247.426	5.313	30	30	BKEC	
CCCCCCC#CCCCCCCCC	140659207	WBJNXHBNDYASJD-UHFFFAOYSA-N	222.416	5.711	30	30	BKEC	
CCCCCCCCCCCCCCCF	118530441	DRKDLVHRJPXHJU-UHFFFAOYSA-N	230.411	6.047	30	30	BKEC	
CCCCCCCCCSc1cccs1	78008484	QOGKGJICDSOSNT-UHFFFAOYSA-N	242.453	5.591	30	30	BKEC	
CCCCCCCC/C=C\CCCCCCO	100117594	KKGMASVOOYPIGJ-KTKRTIGZSA-N	240.431	5.236	30	30	BKEC	
C=C(CCCC)c1cccc2ccccc12	79408781	AGTNAPDBBKCZRK-UHFFFAOYSA-N	210.320	5.043	30	30	BKEC	
CC(C)CCCCCCCCCCCCC=O	34064657	IKBYSGSLCRPWRO-UHFFFAOYSA-N	240.431	5.523	30	30	BKEC	
CCCCCCCCCCCCC(C)(C)S	100121425	WNWMCHBYMOTRGZ-UHFFFAOYSA-N	244.488	6.006	30	30	BKEC	
CC(C(=O)C(C)=C1CCCCC1)=C1CCCCC1	223705542	PZBQKUVZJAMKIR-UHFFFAOYSA-N	246.394	5.117	30	30	BKEC	
C=CCCC1CCC([C@H]2CC[C@H](CC)CC2)CC1	299803365	LLTCKIUWGLQXNS-HFFNAHSWSA-N	248.454	5.975	30	30	BKEC	
C=CCC1=C[C@@H]2[C@@H](CC1)C(C)(C)[C@@H](C)C2(C)C	256083191	IZJSQGHVYBMLTF-BPLDGKMQSA-N	232.411	5.217	30	30	BKEC	
CCCCCCCCCCCc1ccccn1	2572188	XECXIPYCNRARGM-UHFFFAOYSA-N	233.399	5.155	30	30	BKEC	
CCCCCCCC[C@@H](C)c1ccc(O)cc1	100298329	CIIDOZQHEPMZIR-CQSZACIVSA-N	234.383	5.246	30	30	BKEC	
C=C(CC)CCCCCCCCCCCC	60107621	QHSRAQJUNKPXRC-UHFFFAOYSA-N	224.432	6.264	30	30	BKEC	
CC(C)=CCC[C@H](C)C/C=N/c1ccccc1	111875063	YISAHFPSGNFFAI-XOAFGZPJSA-N	229.367	5.162	30	30	BKEC	
C=C1CCC(C(=C)CCC=C(C)C)CC1	85851457	XMGWPQCLCZIWPP-UHFFFAOYSA-N	204.357	5.035	30	30	BKEC	
CCCCCCCCCCc1ccc(C)cc1O	95818045	GAIKPEXWXLEOPD-UHFFFAOYSA-N	248.410	5.384	30	30	BKEC	
C=C(CCCCCC)CCCCCCCC	60107619	ALLHOOZJEFGTPW-UHFFFAOYSA-N	224.432	6.264	30	30	BKEC	
CCCCCC/C=C\CCCCCCCC=O	59725570	QFPVVMKZTVQDTL-FPLPWBNLSA-N	238.415	5.443	30	30	BKEC	in-vitro
C=CCC1=C[C@@H]2[C@H](CC1)C(C)(C)[C@H](C)C2(C)C	256083190	IZJSQGHVYBMLTF-AEGPPILISA-N	232.411	5.217	30	30	BKEC	
CCC/C=C\C=C\CCCCCCCCC=O	34564624	OSFASEAZCNYZBW-SCFJQAPRSA-N	236.399	5.219	30	30	BKEC	in-vitro
CCCCCCCc1c(O)ccc2ccccc12	100297084	ROOZGFKDNMRTJN-UHFFFAOYSA-N	242.362	5.058	30	30	BKEC	
CCC/C=C/C=C\CCCCCCCCC=O	15273954	OSFASEAZCNYZBW-DEQVHDEQSA-N	236.399	5.219	30	30	BKEC	
CCCCCCCC(=S)O[C@@H](C)CCCC	223543433	SOGISJHMSWSQBK-ZDUSSCGKSA-N	244.444	5.270	30	30	BKEC	
CCCCCCCC/C=C(\O)CCCC	114674677	FMYDPGOHVVAIGP-YPKPFQOOSA-N	212.377	5.369	30	30	BKEC	
C=CCC1=C[C@@H]2[C@@H](CC1)C(C)(C)[C@H](C)C2(C)C	256083192	IZJSQGHVYBMLTF-NWANDNLSSA-N	232.411	5.217	30	30	BKEC	
CCCCCCCCCCCc1ccc(N)cc1	100768957	XTXBIDIDXGQFQT-UHFFFAOYSA-N	247.426	5.342	30	30	BKEC	
C=CCCCCC/C=C\C/C=C\CCCCC	85599350	XFZBIINLEPBMDY-NERFDCTISA-N	234.427	6.206	30	30	BKEC	
CCCCCCCC[C@H](C)c1ccc(O)cc1	100298332	CIIDOZQHEPMZIR-AWEZNQCLSA-N	234.383	5.246	30	30	BKEC	
ON=C1CCCCCCCCCCCCCC1	5225592	MIMLVMHHSQXPAY-UHFFFAOYSA-N	239.403	5.292	30	30	BKEC	biogenic,in-vitro
CCC#CCCCCCCCCCCCC	140640625	HRFPRVYNMNOAQO-UHFFFAOYSA-N	222.416	5.711	30	30	BKEC	
CCCCCCCC/C=C\CCCCCC=O	59725567	BLJFSPZWKBTYHR-KTKRTIGZSA-N	238.415	5.443	30	30	BKEC	
CCCCCCCCCCCCC[C]=S	2265384481	JJZPMCLYJJMNOA-UHFFFAOYSA-N	227.437	5.564	30	30	BKEC	
CCCCC#CCCCCCCCCCC	82088693	QMIJSVFNLQOMAY-UHFFFAOYSA-N	222.416	5.711	30	30	BKEC	
C=CC1CCC([C@H]2CC[C@H](CC)CC2)CC1	299803253	DAWASSOYJAUGDK-DHAXNPMCSA-N	220.400	5.195	30	30	BKEC	
C=CCCCCCCCCCCCC(C)C	59432679	YKGRKSWSVPZYER-UHFFFAOYSA-N	224.432	6.120	30	30	BKEC	
CC(C)=CCC[C@@H](C)C/C=N/c1ccccc1	111875070	YISAHFPSGNFFAI-OVGFGYAMSA-N	229.367	5.162	30	30	BKEC	
C=C1/C=C\C(C)(C)CCC/C(C)=C\CC1	57988992	FNXUOGPQAOCFKU-NDFWULPDSA-N	204.357	5.035	30	30	BKEC	
CCCCCCCCCCCCc1ccncc1	117402824	FVZKYRYEWBZUTR-UHFFFAOYSA-N	247.426	5.545	30	30	BKEC	
CCCCCC/C=C\CCCCCCCCN	114110964	UATFHWVUSDADRL-FPLPWBNLSA-N	239.447	5.202	30	30	BKEC	
CCCCCCCCCCCc1ccncc1	143774665	PSJNDOPZBDLGPG-UHFFFAOYSA-N	233.399	5.155	30	30	BKEC	
CCCC/C=C/CCCCCCCCCC=O	5509932	AMTITFMUKRZZEE-AATRIKPKSA-N	238.415	5.443	30	30	BKEC