smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCCC[C@H](Br)CCCC	2042307	IIUMAVGDCSJZGR-LLVKDONJSA-N	235.209	4.911	50	40	BJGB	
Cl[C@H]1CC/C=C/CC/C=C/CC[C@H]1Cl	104263868	CUBJWUJUVHZDSZ-SGGUXRSASA-N	233.182	4.668	50	40	BJGB	
CC1=C(/C=C/C(C)=C/C#N)C(C)(C)CCC1	22063897	YOYODHNOTKUUDY-ANKZSMJWSA-N	215.340	4.539	50	40	BJGB	in-vitro
CC1(C)CCC(c2ccc(Cl)cc2)=C(C=O)C1	116354038	ICUYKCFWVCNLNW-UHFFFAOYSA-N	248.753	4.503	50	40	BJGB	
CCCCCC1CCC(CBr)CC1	49772165	HXOWMHXGHNZDFT-UHFFFAOYSA-N	247.220	4.768	50	40	BJGB	
C[Si](C)(C)OC1=C[C@H](c2ccccc2)CCC1	195810353	DRHSTRHDSUWTRQ-CQSZACIVSA-N	246.426	4.690	50	40	BJGB	in-vitro
Clc1ccc(S[C@H]2CCC[C@H]2Cl)cc1	1700434	KEOPJROOSSQHRI-MNOVXSKESA-N	247.190	4.592	50	40	BJGB	
CC(C)=CCC/C(C)=C\CC/C(C)=C\C=O	13507227	YHRUHBBTQZKMEX-FBXUGWQNSA-N	220.356	4.605	50	40	BJGB	
CC(C)c1ccc(CCl)c(C(C)C)c1	57217499	XSHGGIWBIKGBBK-UHFFFAOYSA-N	210.748	4.672	50	40	BJGB	in-vitro
ClCCCCCCCCc1ccccc1	1560270	GVDYDOFBAKCSGC-UHFFFAOYSA-N	224.775	4.809	50	40	BJGB	
CCCCCCCC[P@](=O)(Cl)CC	104121887	RDEDVZRWCWQOQX-ZDUSSCGKSA-N	224.712	4.884	50	40	BJGB	
Clc1ccc(S[C@@H]2CCC[C@@H]2Cl)cc1	1700437	KEOPJROOSSQHRI-WDEREUQCSA-N	247.190	4.592	50	40	BJGB	
CCCCCCCCC[C@@H](Cl)CCl	2539158	QDCVCYXPLVCPKC-LLVKDONJSA-N	225.203	4.973	50	40	BJGB	
CCCC[C@H](Cl)CC(Cl)(Cl)Cl	1633958	IGQSAOBUXLPLOL-LURJTMIESA-N	237.985	4.544	50	40	BJGB	
CCC(CC)CC1(C(=O)Cl)CCCCC1	39150589	LAMMLENPKIOKSX-UHFFFAOYSA-N	230.779	4.529	50	40	BJGB	
CC(C)=CCC/C(C)=C/CC/C(C)=C\C=O	13507228	YHRUHBBTQZKMEX-PVMFERMNSA-N	220.356	4.605	50	40	BJGB	in-vitro
S=C=Nc1ccc2cc3ccccc3cc2c1	34202310	OFWDXQZDAURQSZ-UHFFFAOYSA-N	235.311	4.727	50	40	BJGB	
CCCC[C@@H](CC)CCCCBr	70791626	JYDYQEXQDWMSEO-LLVKDONJSA-N	235.209	4.768	50	40	BJGB	
ClCc1cccc(-c2ccc(Cl)cc2)c1	49782037	SNDZVAGNVVAMBG-UHFFFAOYSA-N	237.129	4.746	50	40	BJGB	
S=C=Nc1ccccc1/C=C\c1ccccc1	4983950	NVZXSCLSEHKSAX-KHPPLWFESA-N	237.327	4.591	50	40	BJGB	
CC(C)=CCC/C(C)=C\CC/C(C)=C/C=O	13507230	YHRUHBBTQZKMEX-GNESMGCMSA-N	220.356	4.605	50	40	BJGB	
CCCCCCCC[P@@](=O)(Cl)CC	104121893	RDEDVZRWCWQOQX-CYBMUJFWSA-N	224.712	4.884	50	40	BJGB	
CCCCCCCP(=O)(Cl)Cl	103618706	HGCRBNZRSCCMQM-UHFFFAOYSA-N	217.076	4.628	50	40	BJGB	
S=C=Nc1ccc(N=Nc2ccccc2)cc1	12359976	ZTXNMMXJFVCQPD-UHFFFAOYSA-N	239.303	4.836	50	40	BJGB	
CC/C=C\C=C\CO[Si](C)(C)C(C)(C)C	196063080	LDDJTKSCYSVMNS-QNRZBPGKSA-N	226.436	4.531	50	40	BJGB	
C=C(Cl)[C@](C)(Cl)CC[C@@H](Cl)C(C)C	1644125	CFMAZVBKHYYPCB-NXEZZACHSA-N	243.605	4.780	50	40	BJGB	
ClCc1ccc(/C=C\c2ccccc2)cc1	83309257	IWJQBYQAGGHNAB-SREVYHEPSA-N	228.722	4.596	50	40	BJGB	
Cl[C@H]1CC/C=C/CC/C=C\CC[C@H]1Cl	104263862	CUBJWUJUVHZDSZ-FJLUDILZSA-N	233.182	4.668	50	40	BJGB	
ClCc1cc2ccccc2c2ccccc12	1631234	SYNQYTBSQNSROF-UHFFFAOYSA-N	226.706	4.732	50	40	BJGB	in-vitro
CCCCCCCCCCC/C=C\C=O	85627249	WHOZNOZYMBRCBL-SEYXRHQNSA-N	210.361	4.662	50	40	BJGB	
CCCCC(=S)SSC(C)(C)C	1574742	HOHPMJJZDKCGJT-UHFFFAOYSA-N	222.444	4.684	50	40	BJGB	
ClCCCCCCOc1ccc(Cl)cc1	6322262	RIOKFDHMRBNFHC-UHFFFAOYSA-N	247.165	4.518	50	40	BJGB	in-vitro
CCCCCCc1ccc(CCl)cc1	116200603	YSDRLNRMJRFZDN-UHFFFAOYSA-N	210.748	4.548	50	40	BJGB	
ClP(Cl)C12CC3CC(CC(C3)C1)C2	102189491	KEWZJJPPCVDFGF-UHFFFAOYSA-N	237.110	4.745	50	40	BJGB	
C[Si](C)(C)OC1=C[C@@H](c2ccccc2)CCC1	195810354	DRHSTRHDSUWTRQ-AWEZNQCLSA-N	246.426	4.690	50	40	BJGB	in-vitro
Clc1ccccc1[C@@H](Cl)c1ccccc1	1690478	YMXAYMSJCVGYEM-ZDUSSCGKSA-N	237.129	4.668	50	40	BJGB	biogenic,in-vitro
Cc1oc(-c2ccc(C(C)C)cc2)nc1CCl	39321175	OAJKLGVKPDGGRF-UHFFFAOYSA-N	249.741	4.512	50	40	BJGB	
Clc1ccccc1[C@H](Cl)c1ccccc1	2002254	YMXAYMSJCVGYEM-CYBMUJFWSA-N	237.129	4.668	50	40	BJGB	biogenic,in-vitro
ClP(Cl)CCCP(Cl)Cl	100124487	KIUIKWRHWKNTBP-UHFFFAOYSA-N	245.841	4.956	50	40	BJGB	
C=CC[C@H]1CCCC/C1=C(/C#N)c1ccccc1	102858087	CIFPMTLZJZQPOT-VUAZUDAXSA-N	237.346	4.730	50	40	BJGB	
Clc1ccc(S[C@H]2CCC[C@@H]2Cl)cc1	1700436	KEOPJROOSSQHRI-QWRGUYRKSA-N	247.190	4.592	50	40	BJGB	
CC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	97949951	BKEQOPIQGDSWEQ-UHFFFAOYSA-N	246.200	4.547	50	40	BJGB	
S=C=Nc1ccc(/N=N\c2ccccc2)cc1	100469704	ZTXNMMXJFVCQPD-NXVVXOECSA-N	239.303	4.836	50	40	BJGB	
CCCCCCCC[C@@H](C)Br	1632750	HRDKIHSQGRCTMR-SNVBAGLBSA-N	221.182	4.520	50	40	BJGB	
CCCC[C@H](CCC)SC(=S)Cl	2572541	QALFJJFOBXUOKR-QMMMGPOBSA-N	224.822	4.602	50	40	BJGB	
CCCCCC[C@@H](Br)CCCC	1733611	IIUMAVGDCSJZGR-NSHDSACASA-N	235.209	4.911	50	40	BJGB	
ClCc1ccccc1-c1ccc(Cl)cc1	54008354	IGDJRLDUHXVANT-UHFFFAOYSA-N	237.129	4.746	50	40	BJGB	
Fc1cc(F)cc(S(F)(F)(F)(F)F)c1	1857779601	NFIPXEZPVFGYEJ-UHFFFAOYSA-N	240.143	4.622	50	40	BJGB	
CC[C@H](Br)c1ccc(C(C)C)cc1	71102283	VTBGALFFPMQPRB-LBPRGKRZSA-N	241.172	4.656	50	40	BJGB	
S=C=Nc1ccc(/N=N/c2ccccc2)cc1	4269753	ZTXNMMXJFVCQPD-FOCLMDBBSA-N	239.303	4.836	50	40	BJGB	
Clc1ccc(S[C@@H]2CCC[C@H]2Cl)cc1	1700435	KEOPJROOSSQHRI-GHMZBOCLSA-N	247.190	4.592	50	40	BJGB	
C=Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1	195862520	QVPBMCKCBQURHP-UHFFFAOYSA-N	234.415	4.714	50	40	BJGB	
CC(C)c1cccc(C(C)C)c1CCl	145229788	NFISQWLJWGXSJI-UHFFFAOYSA-N	210.748	4.672	50	40	BJGB	
C=C(Cl)[C@](C)(Cl)CC[C@H](Cl)C(C)C	1644126	CFMAZVBKHYYPCB-VHSXEESVSA-N	243.605	4.780	50	40	BJGB	
ClP(Cl)(Cl)=Nc1ccccc1	95719259	VFZIWOHWFWEWML-UHFFFAOYSA-N	228.446	4.981	50	40	BJGB	
CC1(C)CCC(C)(C)c2cc(CCl)ccc21	2510247	SSAGWEFEPFPFJC-UHFFFAOYSA-N	236.786	4.774	50	40	BJGB	
CC/C=C\C=C/CO[Si](C)(C)C(C)(C)C	196024973	LDDJTKSCYSVMNS-XESWYYRISA-N	226.436	4.531	50	40	BJGB	
CCCCCCCC[C@H](C)CBr	2392171	CFGVIMLEZTZTTI-NSHDSACASA-N	235.209	4.768	50	40	BJGB	
CCOc1ccc(S(F)(F)(F)(F)F)cc1	97950175	OCZFJHFFKWMEAX-UHFFFAOYSA-N	248.216	4.743	50	40	BJGB	
CC(/N=N/c1ccccc1)=C(/C#N)c1ccccc1	4265471	YAMVMQFVDOGACL-BBDGVTCJSA-N	247.301	4.725	50	40	BJGB	
Cl[C@H]1Cc2ccccc2Sc2ccccc21	6930372	NLQGARUWFXXYMD-LBPRGKRZSA-N	246.762	4.674	50	40	BJGB	
CC[C@H]1CCC(c2ccc(Cl)cc2)=C(C=O)C1	675082244	NDOMAYNNWDOAHT-NSHDSACASA-N	248.753	4.503	50	40	BJGB	
CCCC[C@H](CC)CCCCBr	70791628	JYDYQEXQDWMSEO-NSHDSACASA-N	235.209	4.768	50	40	BJGB	
N#[N+]c1ccc(S(F)(F)(F)(F)F)cc1	238700547	GEMDIHQWQGSKDZ-UHFFFAOYSA-N	231.169	4.829	50	40	BJGB	
ClCc1ccc(-c2ccc(Cl)cc2)cc1	49782036	NFCOSRCEYMBQCJ-UHFFFAOYSA-N	237.129	4.746	50	40	BJGB	
C[C@@H](Cl)c1ccccc1OCc1ccccc1	584593371	QGQPSEJUPBOIKK-GFCCVEGCSA-N	246.737	4.565	50	40	BJGB	
CCCCCCCCCCCN=C=S	2571873	CFGGVVRPLBWNDW-UHFFFAOYSA-N	213.390	4.620	50	40	BJGB	
ClC(Cl)c1ccccc1C(Cl)Cl	2242616	UFJYKWQUTDGGPV-UHFFFAOYSA-N	243.948	4.639	50	40	BJGB	
C=CC[C@@H]1CCCC/C1=C(/C#N)c1ccccc1	102858084	CIFPMTLZJZQPOT-UVTIVQHFSA-N	237.346	4.730	50	40	BJGB	
c1cc(SSc2ccsc2)cs1	251168	LDENBTJZJWGFJI-UHFFFAOYSA-N	230.404	4.609	50	40	BJGB	
Cl[C@H]1CC/C=C\CC/C=C\CC[C@H]1Cl	104263856	CUBJWUJUVHZDSZ-PRUKFHJKSA-N	233.182	4.668	50	40	BJGB	
C=C(Cl)[C@@](C)(Cl)CC[C@@H](Cl)C(C)C	1856195	CFMAZVBKHYYPCB-ZJUUUORDSA-N	243.605	4.780	50	40	BJGB	
CC[C@@H](Br)c1ccc(C(C)C)cc1	71102287	VTBGALFFPMQPRB-GFCCVEGCSA-N	241.172	4.656	50	40	BJGB	
Fc1ccc(S(F)(F)(F)(F)F)c(F)c1	1857780141	NWDAZTJMECAHDD-UHFFFAOYSA-N	240.143	4.622	50	40	BJGB	
Cc1ccc(C(CCl)c2ccc(C)cc2)cc1	1698363	HGQONKLBWYVIFZ-UHFFFAOYSA-N	244.765	4.674	50	40	BJGB	
Cl[C@H]1CC/C=C\CC/C=C/CC[C@H]1Cl	104263864	CUBJWUJUVHZDSZ-NGSWUUQJSA-N	233.182	4.668	50	40	BJGB	
CCCCCCCC[C@H](C)Br	100297832	HRDKIHSQGRCTMR-JTQLQIEISA-N	221.182	4.520	50	40	BJGB	
S=C=Nc1ccccc1/C=C/c1ccccc1	1723110	NVZXSCLSEHKSAX-ZHACJKMWSA-N	237.327	4.591	50	40	BJGB	
CC(C)[Si](O[Si](C(C)C)C(C)C)C(C)C	195815625	GSKVLVXXJRJNAN-UHFFFAOYSA-N	244.527	4.626	50	40	BJGB	
CCCC[C@@H](Cl)CC(Cl)(Cl)Cl	2041927	IGQSAOBUXLPLOL-ZCFIWIBFSA-N	237.985	4.544	50	40	BJGB	
C=CC[C@@H]1CCCC/C1=C(\C#N)c1ccccc1	31688711	CIFPMTLZJZQPOT-UPTRSRDDSA-N	237.346	4.730	50	40	BJGB	
ClCc1ccc(Cl)c(-c2ccccc2)c1	49828415	GLFPYYYMFAFTEU-UHFFFAOYSA-N	237.129	4.746	50	40	BJGB	
CCCCCCCC[C@@H](Cl)CCl	2539157	JLMYKEOBTHYMPL-SNVBAGLBSA-N	211.176	4.583	50	40	BJGB	
FS(F)(F)(F)(F)c1ccc2cc[nH]c2c1	103865833	MSRZWPKNTUYVGM-UHFFFAOYSA-N	243.200	4.825	50	40	BJGB	
CC[C@@H]1CCC(c2ccc(Cl)cc2)=C(C=O)C1	675082243	NDOMAYNNWDOAHT-LLVKDONJSA-N	248.753	4.503	50	40	BJGB	
CCCCCCCCCCC/C=C/C=O	2517153	WHOZNOZYMBRCBL-OUKQBFOZSA-N	210.361	4.662	50	40	BJGB	endogenous,in-man
CCCCCCCC[C@H](Cl)CCl	100075929	JLMYKEOBTHYMPL-JTQLQIEISA-N	211.176	4.583	50	40	BJGB	
CCCCCCCC[C@@H](C)CBr	100096101	CFGVIMLEZTZTTI-LLVKDONJSA-N	235.209	4.768	50	40	BJGB	
C[C@H](Cl)c1ccccc1OCc1ccccc1	584593372	QGQPSEJUPBOIKK-LBPRGKRZSA-N	246.737	4.565	50	40	BJGB	
C=C(Cl)[C@@](C)(Cl)CC[C@H](Cl)C(C)C	1644124	CFMAZVBKHYYPCB-UWVGGRQHSA-N	243.605	4.780	50	40	BJGB	
O=C(Cl)C(C1CCCCC1)C1CCCCC1	118152598	VHWLEXPKNLZVCM-UHFFFAOYSA-N	242.790	4.529	50	40	BJGB	
C=CC[C@H]1CCCC/C1=C(\C#N)c1ccccc1	16929846	CIFPMTLZJZQPOT-HYEKCJMVSA-N	237.346	4.730	50	40	BJGB	
CCCCCCCCC[C@H](Cl)CCl	81144681	QDCVCYXPLVCPKC-NSHDSACASA-N	225.203	4.973	50	40	BJGB	
CCCC[C@@H](CCC)SC(=S)Cl	95884397	QALFJJFOBXUOKR-MRVPVSSYSA-N	224.822	4.602	50	40	BJGB	
S=C=NC1CCC(CC2CCCCC2)CC1	1697837	QYMBCSXORARACB-UHFFFAOYSA-N	237.412	4.618	50	40	BJGB	
N#[N+]c1cccc(S(F)(F)(F)(F)F)c1	238700645	ZQXBFTOONQRRTE-UHFFFAOYSA-N	231.169	4.829	50	40	BJGB	
C=Cc1cccc(S(F)(F)(F)(F)F)c1	97949932	ABRNOZHPWOXJBI-UHFFFAOYSA-N	230.201	4.987	50	40	BJGB	
Fc1cccc(F)c1S(F)(F)(F)(F)F	100478686	RYKZGFBXDNZOCG-UHFFFAOYSA-N	240.143	4.622	50	40	BJGB	
CCCCNCCCCCCCCCCCl	4990845	HKLJOQJKNSSUBI-UHFFFAOYSA-N	247.854	4.736	50	40	BJGB	
Cl[C@@H]1Cc2ccccc2Sc2ccccc21	6930791	NLQGARUWFXXYMD-GFCCVEGCSA-N	246.762	4.674	50	40	BJGB