smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
ClCCC[C@@H](c1ccccc1)c1cccnc1	66054780	XDBOXGNFGCXUKC-HNNXBMFYSA-N	245.753	4.233	50	20	BIGD	
N#C/C(=C/c1ccccc1C1CC1)c1ccccn1	750818264	RVGYNKGPJMESBE-PTNGSMBKSA-N	246.313	4.023	50	20	BIGD	
CC[C@@H](C)[C@@H](CBr)C(C)(C)C	162544938	LCVHJZCYTGXSEL-RKDXNWHRSA-N	221.182	4.090	50	20	BIGD	
Cc1nc(-c2cccc(Cl)c2)oc1CCl	238534450	JWEJNJSKPDWCPN-UHFFFAOYSA-N	242.105	4.042	50	20	BIGD	
CC(C)c1ccc([C@H](O)CCl)c(C(C)C)c1	12506271	XRKKVEHJRHTTGS-CQSZACIVSA-N	240.774	4.206	50	20	BIGD	
BrCC1(C2CCCC2)CCCC1	130032478	BFUJEEBMAQLUBK-UHFFFAOYSA-N	231.177	4.132	50	20	BIGD	
CCC[C@@](C)(CCl)COCc1ccccc1	230090268	XCLNQRWVESYFKO-AWEZNQCLSA-N	240.774	4.248	50	20	BIGD	
CC(/C=C(\C#N)c1ccccn1)=C\c1ccccc1	7155248	FQKNNWWIBZYAGS-MHMBTURYSA-N	246.313	4.092	50	20	BIGD	
CC(C)(CBr)CC1CC(C)(C)C1	585143225	KXTLWSYXHFRBQP-UHFFFAOYSA-N	233.193	4.234	50	20	BIGD	
CC(C)Cc1[nH]nc(C2CCCC2)c1CCl	409439461	IAORWCZBTSYVGG-UHFFFAOYSA-N	240.778	4.005	50	20	BIGD	
N#C/C=C/CSc1ccc2ccccc2c1	763302029	RIYNVKZNKZYOHU-ONEGZZNKSA-N	225.316	4.012	50	20	BIGD	
BrCC1(CC2CCCC2)CCC1	85050819	DFVINRWTOPBPQY-UHFFFAOYSA-N	231.177	4.132	50	20	BIGD	
CCC[C@@H](C)C[C@@H](CBr)C(C)C	85052992	JEOJSVPJDIUYIR-MNOVXSKESA-N	235.209	4.480	50	20	BIGD	
CCC[C@@H](CBr)Cc1cccs1	85052563	FREQILYAHUGKQV-SECBINFHSA-N	247.201	4.102	50	20	BIGD	
ClCc1cccc(-c2ccsc2)c1	145595053	UZDBBVLQIRMEEN-UHFFFAOYSA-N	208.713	4.154	50	20	BIGD	
CC(C)[C@@H](CBr)CCC(C)(F)F	716265485	BEIDXAPGHQCJQT-MRVPVSSYSA-N	243.135	4.089	50	20	BIGD	
CC[C@@](C)(CBr)C[Si](C)(C)C	230929255	OGQMRUFAZPLACI-VIFPVBQESA-N	237.257	4.136	50	20	BIGD	
CC[C@@H](CBr)c1ccccc1Cl	86369882	SXZOWJKMKZWDGE-QMMMGPOBSA-N	247.563	4.229	50	20	BIGD	
CCC[C@H](C)C[C@@H](CBr)C(C)C	85052993	JEOJSVPJDIUYIR-QWRGUYRKSA-N	235.209	4.480	50	20	BIGD	
CC[C@@H](C)C1(CBr)CCCCC1	87177099	VJUBWVNQXGALIO-SNVBAGLBSA-N	233.193	4.378	50	20	BIGD	
Cc1ccc(C(C)(C)C)cc1CBr	259141563	CVGMSYQIBJOYPJ-UHFFFAOYSA-N	241.172	4.187	50	20	BIGD	
CC[C@H](CCl)c1cccc(Br)c1	86368034	YDKGIAYOUALFTB-MRVPVSSYSA-N	247.563	4.182	50	20	BIGD	
CC1(CC2(CBr)CC2)CCCC1	306415289	UZFIEEGWZWCNEN-UHFFFAOYSA-N	231.177	4.132	50	20	BIGD	
CCCCCCc1ccc([C@@H](O)CCl)cc1	12506215	YBWIUWOBYKTCGE-AWEZNQCLSA-N	240.774	4.082	50	20	BIGD	
CC(C)[C@](C)(CCl)COCc1ccccc1	230090903	HURSFUJTQWBCGE-CQSZACIVSA-N	240.774	4.104	50	20	BIGD	
CC(C)(CBr)CCc1ccccc1	585143244	NRVPSTHJXRGFNP-UHFFFAOYSA-N	241.172	4.040	50	20	BIGD	
BrCC1(CC2=CCCC2)CCC1	306801740	RRCUMCPKMASZKX-UHFFFAOYSA-N	229.161	4.052	50	20	BIGD	
C[C@@H](Br)CCC1CCCCC1	71116657	SJVOAEYMLPIOQQ-SECBINFHSA-N	219.166	4.130	50	20	BIGD	
CC[C@](C)(CBr)C1CCCCC1	130038884	HJKHOHDFIFNPHB-LLVKDONJSA-N	233.193	4.378	50	20	BIGD	
CC(C)(C)CCC(C)(C)CBr	85050221	IANMBJVUXPLBSI-UHFFFAOYSA-N	221.182	4.234	50	20	BIGD	
CC[C@H](CCl)c1ccccc1Br	86369986	JKGIXBQAGNIUHJ-MRVPVSSYSA-N	247.563	4.182	50	20	BIGD	
C[C@H](CBr)C[C@H]1CCC[C@H](C)C1	251894010	SADKPZDKCJDPQV-DCAQKATOSA-N	233.193	4.234	50	20	BIGD	
C[C@H](CBr)C[C@@H]1CCC[C@@H](C)C1	217407009	SADKPZDKCJDPQV-OUAUKWLOSA-N	233.193	4.234	50	20	BIGD	
CC[C@H](CCl)CCCOCc1ccccc1	307477047	CSJRQCXHEXDFQN-ZDUSSCGKSA-N	240.774	4.248	50	20	BIGD	
ClCCC[C@H](c1ccccc1)c1cccnc1	66054779	XDBOXGNFGCXUKC-OAHLLOKOSA-N	245.753	4.233	50	20	BIGD	
CC[C@H](CBr)CCC(C)(C)C	85053333	FOXZPWOXFUQFRS-VIFPVBQESA-N	221.182	4.234	50	20	BIGD	
CC[C@@H](CBr)CCC(C)(C)C	85053334	FOXZPWOXFUQFRS-SECBINFHSA-N	221.182	4.234	50	20	BIGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1ccccn1	206059673	FQKNNWWIBZYAGS-ILYHAJGMSA-N	246.313	4.092	50	20	BIGD	
CC[C@](C)(CBr)Cc1ccsc1	85052293	FCQMXZUHSXVSQY-JTQLQIEISA-N	247.201	4.102	50	20	BIGD	
N#C/C(=C\c1ccccc1C1CC1)c1ccccn1	750818278	RVGYNKGPJMESBE-RVDMUPIBSA-N	246.313	4.023	50	20	BIGD	
CCCCCCC[C@H](C)CBr	2392180	AKUPYXWXVMAYHE-JTQLQIEISA-N	221.182	4.378	50	20	BIGD	
CC[C@H](C)C[C@H](CBr)C(C)C	85053186	CRDMAWCMHYZCIQ-VHSXEESVSA-N	221.182	4.090	50	20	BIGD	
CCC[C@H](CBr)C1CCCCC1	130041430	USZZOSSRIVWGOV-LLVKDONJSA-N	233.193	4.378	50	20	BIGD	
CC(C)(C)[C@H](CBr)C1CCCC1	162556969	SVIRNMIBXSIUJP-SNVBAGLBSA-N	233.193	4.234	50	20	BIGD	
CC[C@@H](CCl)c1ccccc1Br	86369984	JKGIXBQAGNIUHJ-QMMMGPOBSA-N	247.563	4.182	50	20	BIGD	
CC[C@@H](C)C[C@H](CBr)CC(C)C	85052500	LWRBMPJTTKMNKO-GHMZBOCLSA-N	235.209	4.480	50	20	BIGD	
CCCCCCc1ccc([C@H](O)CCl)cc1	12506213	YBWIUWOBYKTCGE-CQSZACIVSA-N	240.774	4.082	50	20	BIGD	
CCC[C@H](CBr)Cc1cccs1	85052562	FREQILYAHUGKQV-VIFPVBQESA-N	247.201	4.102	50	20	BIGD	
BrCC1(C2CCC2)CCCCC1	161634222	BBQAKBSOGSMTKU-UHFFFAOYSA-N	231.177	4.132	50	20	BIGD	
C[C@H](CCl)c1ccc(C(F)(F)F)cc1	84192471	ZRZJNILQYKHKRZ-SSDOTTSWSA-N	222.637	4.048	50	20	BIGD	
CC[C@H](C)[C@@H](CBr)C(C)(C)C	162545065	LCVHJZCYTGXSEL-DTWKUNHWSA-N	221.182	4.090	50	20	BIGD	
CC(C)[C@@H](CBr)CC1CCCC1	85053007	AOEFYCSEBOPYRA-LLVKDONJSA-N	233.193	4.234	50	20	BIGD	
CCC(C)(C)C1CCC(Br)CC1	57368718	RNONCKYTEZWKKV-UHFFFAOYSA-N	233.193	4.376	50	20	BIGD	
CC[C@@H](C)CC1(CBr)CCCC1	85051441	SWXKBAFZVLXBOJ-SNVBAGLBSA-N	233.193	4.378	50	20	BIGD	
BrCC1(C2CCCCC2)CCC1	130030807	UVPPGIWDTBXLNI-UHFFFAOYSA-N	231.177	4.132	50	20	BIGD	
CCCC[C@@H](CBr)CC(C)C	85052341	DUDPZMNULBOHAV-SNVBAGLBSA-N	221.182	4.234	50	20	BIGD	
C[C@H](CBr)c1cccc2ccccc12	85663721	HIBKMMTUEQOODQ-SNVBAGLBSA-N	249.151	4.338	50	20	BIGD	
CC(C)(CCl)Cc1ccc(Cl)s1	85042846	NPMRQZJMJLYVRZ-UHFFFAOYSA-N	223.168	4.209	50	20	BIGD	
C[C@@H](Br)CC(C)(C)c1ccccc1	82817817	UGKAYVNZNDOQTN-SNVBAGLBSA-N	241.172	4.138	50	20	BIGD	
CC[C@H](C)[C@H](C)C(C)(C)CBr	307740352	NVIDCWFONSHXAL-IUCAKERBSA-N	221.182	4.090	50	20	BIGD	
CCC[C@H](CBr)CCC(C)C	85052642	BAYXLGXMTHIIDA-JTQLQIEISA-N	221.182	4.234	50	20	BIGD	
CC(C)(CCl)CO[Si](C)(C)C(C)(C)C	196289408	ZCLXIHCRUFCMIZ-UHFFFAOYSA-N	236.859	4.273	50	20	BIGD	
C[C@@H](CCl)c1ccc(C(F)(F)F)cc1	84192469	ZRZJNILQYKHKRZ-ZETCQYMHSA-N	222.637	4.048	50	20	BIGD	
CCC[C@@H](C)CC1(CBr)CCC1	85050808	BXFZZHFBRMQACB-SNVBAGLBSA-N	233.193	4.378	50	20	BIGD	
CC[C@H](CBr)c1ccccc1Cl	86369885	SXZOWJKMKZWDGE-MRVPVSSYSA-N	247.563	4.229	50	20	BIGD	
CC[C@@H](CBr)C1CCCCCC1	130043269	RTPSLKYARCRTNT-JTQLQIEISA-N	233.193	4.378	50	20	BIGD	
O=C(Cl)c1ccc(Cl)c(Cl)c1Cl	106126053	TVZDIFXOIOIPJG-UHFFFAOYSA-N	243.904	4.026	50	20	BIGD	
ClCC1(CCCOCc2ccccc2)CC1	307362921	HADQBOZAQXBQRW-UHFFFAOYSA-N	238.758	4.002	50	20	BIGD	
ClCC1(CCOCc2ccccc2)CCC1	306656111	ZHDZKDXPELDORT-UHFFFAOYSA-N	238.758	4.002	50	20	BIGD	
CC[C@@H](CCl)c1cccc(Br)c1	86368032	YDKGIAYOUALFTB-QMMMGPOBSA-N	247.563	4.182	50	20	BIGD	
CC[C@@H](CCl)c1ccc(Br)cc1	49783447	LTYLRBWFVZYBNC-QMMMGPOBSA-N	247.563	4.182	50	20	BIGD	
CC[C@@H](C)[C@@]1(CBr)CC=CCC1	307651748	MNKKFTHBLONJBB-MNOVXSKESA-N	231.177	4.154	50	20	BIGD	
CC(C)[C@H](CBr)CCC(C)(C)C	85053083	JLVOWUYCIQLOHE-JTQLQIEISA-N	235.209	4.480	50	20	BIGD	
C[C@H](Br)CC(C)(C)c1ccccc1	82817816	UGKAYVNZNDOQTN-JTQLQIEISA-N	241.172	4.138	50	20	BIGD	
Cc1ccc(S[C@@H](Cl)C(F)(F)F)cc1	4204978	GBVYVHXGHJYGKY-MRVPVSSYSA-N	240.677	4.214	50	20	BIGD	
C=CC[C@@H](CCl)CCOCc1ccccc1	306882484	NLJMWDAXPZUAEC-CYBMUJFWSA-N	238.758	4.024	50	20	BIGD	
CC1CCC(C[C@H](C)CBr)CC1	82856961	VZXLDRMFWVZSKQ-YVNMAJEFSA-N	233.193	4.234	50	20	BIGD	
C[C@@H](CBr)c1ccc2ccccc2c1	85663690	UYEMGPYAOBIIES-JTQLQIEISA-N	249.151	4.338	50	20	BIGD	
CC[C@](C)(CBr)C[Si](C)(C)C	230929259	OGQMRUFAZPLACI-SECBINFHSA-N	237.257	4.136	50	20	BIGD	
Cc1ccc(-c2cccc(C=C(C#N)C#N)c2)cc1	158189502	PYJSXPGSLDMMIQ-UHFFFAOYSA-N	244.297	4.093	50	20	BIGD	
CC(C)CC[C@H](CBr)CC(C)C	85052420	QCLDMIUBWIOCOJ-NSHDSACASA-N	235.209	4.480	50	20	BIGD	
ClCc1coc(-c2ccc3ccccc3c2)n1	34587001	SJAKXYWFTJZNHQ-UHFFFAOYSA-N	243.693	4.234	50	20	BIGD	
CC[C@@](C)(CBr)C1CCCCC1	130038699	HJKHOHDFIFNPHB-NSHDSACASA-N	233.193	4.378	50	20	BIGD	
FC(F)c1cc(CCl)cc(C2CC2)c1	1898225697	PGRIMIUUSNJATQ-UHFFFAOYSA-N	216.658	4.240	50	20	BIGD	
CC(C)[C@H](CBr)CC1CCCC1	85053006	AOEFYCSEBOPYRA-NSHDSACASA-N	233.193	4.234	50	20	BIGD	
BrC[C@@H]1CCCC12CCCCC2	306263020	ZWGGFMUNTAUNNB-JTQLQIEISA-N	231.177	4.132	50	20	BIGD	
Cc1cc(C)c(/C=C(/C#N)c2ccccn2)cc1C	69008269	ZYDSIGANGCWKPA-YBEGLDIGSA-N	248.329	4.071	50	20	BIGD	
CC(C)(CBr)CCc1cccs1	85050206	GHUOTIBUJOLRQS-UHFFFAOYSA-N	247.201	4.102	50	20	BIGD	
CCC[C@@H](CBr)Cc1ccsc1	85052731	DXMCNYZSAOIVSD-SECBINFHSA-N	247.201	4.102	50	20	BIGD	
CC[C@H](CBr)c1cccc(Cl)c1	85663688	PGCYHTHPGHSUTG-MRVPVSSYSA-N	247.563	4.229	50	20	BIGD	
CC[C@H](CCl)c1ccccc1Cl	86369785	DXOBHVLRSDIQNO-MRVPVSSYSA-N	203.112	4.072	50	20	BIGD	
CC[C@H](C)CC1(CBr)CCCC1	85051442	SWXKBAFZVLXBOJ-JTQLQIEISA-N	233.193	4.378	50	20	BIGD	
BrCCCCCCc1cccs1	34614933	FUAKBAOIYCACMG-UHFFFAOYSA-N	247.201	4.246	50	20	BIGD	
BrC[C@H]1CCCC12CCCCC2	306263021	ZWGGFMUNTAUNNB-SNVBAGLBSA-N	231.177	4.132	50	20	BIGD	
CC(C)[C@@H](CBr)CCC(C)(C)C	85053084	JLVOWUYCIQLOHE-SNVBAGLBSA-N	235.209	4.480	50	20	BIGD	
CC[C@@H](C)C[C@@H](CBr)C(C)C	85053183	CRDMAWCMHYZCIQ-ZJUUUORDSA-N	221.182	4.090	50	20	BIGD	
Cc1ccc2ccc(C)c(CCl)c2c1	148667368	KPYWNSLBZSNCAW-UHFFFAOYSA-N	204.700	4.195	50	20	BIGD	
CCC[C@](F)(CBr)c1ccccc1	409426820	GLGIYNPTHDWOLY-NSHDSACASA-N	245.135	4.046	50	20	BIGD	
CC(C)C[C@@H](C)C(C)(C)CBr	307606282	AWLCWPZXMOPCDS-SECBINFHSA-N	221.182	4.090	50	20	BIGD	
CCC[C@](C)(CCl)COCc1ccccc1	230090272	XCLNQRWVESYFKO-CQSZACIVSA-N	240.774	4.248	50	20	BIGD	
ClCc1cncc(-c2cccc(Cl)c2)c1	36034562	JXMNNTNXJXKYOE-UHFFFAOYSA-N	238.117	4.141	50	20	BIGD	
CC[C@H](C)[C@]1(CBr)CC=CCC1	307651750	MNKKFTHBLONJBB-WDEREUQCSA-N	231.177	4.154	50	20	BIGD	
ClCc1ncc(-c2ccc3ccccc3c2)o1	36903574	NXPZBQQJJQXRSD-UHFFFAOYSA-N	243.693	4.234	50	20	BIGD	
Clc1cccc2c1[C@@H](Br)CCC2	2332240646	LJDLVHFDLFVPGG-QMMMGPOBSA-N	245.547	4.112	50	20	BIGD	
CC(C)(CCl)Cc1sccc1Cl	306452339	UXIXWSJWCLFQHB-UHFFFAOYSA-N	223.168	4.209	50	20	BIGD	
CC[C@@H](CCl)CCCOCc1ccccc1	307477046	CSJRQCXHEXDFQN-CYBMUJFWSA-N	240.774	4.248	50	20	BIGD	
N#C/C=C/CSc1cc(Cl)ccc1Cl	763298001	KZXAABCLZIZHLC-OWOJBTEDSA-N	244.146	4.165	50	20	BIGD	
C=C[C@@](C)(CCl)CCOCc1ccccc1	306434701	CGNBJHSNYKDTSR-CQSZACIVSA-N	238.758	4.024	50	20	BIGD	
O[C@H](CCl)c1ccc(C2CCCCC2)cc1	12506242	WUEXWVTYDUMQPR-CQSZACIVSA-N	238.758	4.007	50	20	BIGD	
C[C@H](CBr)c1ccc2ccccc2c1	85663692	UYEMGPYAOBIIES-SNVBAGLBSA-N	249.151	4.338	50	20	BIGD	
CCCCCCC1(CBr)CC1	85051091	RWVZDWRKVGXFHV-UHFFFAOYSA-N	219.166	4.132	50	20	BIGD	
Cc1cc(CC(C)(C)CBr)cs1	306804760	YOUCJVBWNAIECE-UHFFFAOYSA-N	247.201	4.020	50	20	BIGD	
CC(C)c1ccc(CCCBr)cc1	49651096	XNJNISLEDIWTHS-UHFFFAOYSA-N	241.172	4.138	50	20	BIGD	
CC[C@H](CCl)c1ccc(Cl)cc1	49779921	ZPZVBZTYGDJVQS-MRVPVSSYSA-N	203.112	4.072	50	20	BIGD	
CC[C@@H](Cl)c1ccc(C(F)(F)F)cc1	300779619	RQZLYAGTUOUCHP-SECBINFHSA-N	222.637	4.395	50	20	BIGD	
CCCc1cccc(/C=C(/C#N)c2ccccn2)c1	588507201	XGXPTQCDQNEMCY-VBKFSLOCSA-N	248.329	4.098	50	20	BIGD	
CCCCC[C@H](CBr)CCC	85052644	UNURUMLOCADGAI-SNVBAGLBSA-N	221.182	4.378	50	20	BIGD	
Cc1cc(C)c([C@@H](C)CBr)c(C)c1	49783392	RNAJMBKMWVRUGK-NSHDSACASA-N	241.172	4.110	50	20	BIGD	
CCCC1(CBr)CCCCC1	85051333	YXUYPUSALAPVQB-UHFFFAOYSA-N	219.166	4.132	50	20	BIGD	
CCC[C@@H](CBr)CCC(C)C	85052643	BAYXLGXMTHIIDA-SNVBAGLBSA-N	221.182	4.234	50	20	BIGD	
CC[C@@H](CBr)c1ccc(Cl)cc1	49783443	KVFACKYQYTZHNU-QMMMGPOBSA-N	247.563	4.229	50	20	BIGD	
CC[C@H](CCl)Cc1ccc(Cl)s1	85045392	MTMKMTBQYKCYQB-ZETCQYMHSA-N	223.168	4.209	50	20	BIGD	
C[C@H](CBr)C[C@H]1CCC[C@@H](C)C1	217407090	SADKPZDKCJDPQV-VWYCJHECSA-N	233.193	4.234	50	20	BIGD	
CC(C)CCC1(CBr)CCCC1	85051399	HXJMFNZVDMXDKE-UHFFFAOYSA-N	233.193	4.378	50	20	BIGD	
CCC[C@H](CBr)Cc1ccsc1	85052730	DXMCNYZSAOIVSD-VIFPVBQESA-N	247.201	4.102	50	20	BIGD	
CC(C)(CBr)CC1CCCCC1	203635496	XMZIEQZCUQIIGU-UHFFFAOYSA-N	233.193	4.378	50	20	BIGD	
CCCCC[C@@H](CBr)CCC	85052645	UNURUMLOCADGAI-JTQLQIEISA-N	221.182	4.378	50	20	BIGD	
CCC[C@H](C)C[C@@H](CC)CBr	85053230	GYVAXXPRVNNWTA-VHSXEESVSA-N	221.182	4.234	50	20	BIGD	
CC(C)c1ccc(/C=C(/C#N)c2ccccn2)cc1	213894474	FGAOZBXJKYQMPT-WJDWOHSUSA-N	248.329	4.269	50	20	BIGD	
CC(C)Sc1cc(Cl)cc(C(=O)Cl)c1	1898227632	XIASVIDUCDPZGV-UHFFFAOYSA-N	249.162	4.220	50	20	BIGD	
CCC[C@H](C)C[C@H](CBr)C(C)C	85052995	JEOJSVPJDIUYIR-WDEREUQCSA-N	235.209	4.480	50	20	BIGD	
CC[C@H](CBr)c1ccc(Cl)cc1	49783444	KVFACKYQYTZHNU-MRVPVSSYSA-N	247.563	4.229	50	20	BIGD	
CCC[C@H](C)CC1(CBr)CCC1	85050809	BXFZZHFBRMQACB-JTQLQIEISA-N	233.193	4.378	50	20	BIGD	
CNc1ccc(S(F)(F)(F)(F)F)cc1	606289091	GDUJRYLMYHALPQ-UHFFFAOYSA-N	233.205	4.386	50	20	BIGD	
CCCCCC[C@@H](CC)CBr	85053287	JHYWIJGBHYDMLH-SNVBAGLBSA-N	221.182	4.378	50	20	BIGD	
CCCCC(CC)(CC)CBr	85051662	IZQZRCJUTCVKRA-UHFFFAOYSA-N	221.182	4.378	50	20	BIGD	
Cc1cc(C)c(-c2cnc(CCl)o2)cc1C	409426546	FJTVUXIWHKBMJH-UHFFFAOYSA-N	235.714	4.006	50	20	BIGD	
CC(C)(CCl)Cc1csc(Cl)c1	306223891	CHDMEXQWVBIOIO-UHFFFAOYSA-N	223.168	4.209	50	20	BIGD	
CCC[C@@H](Cl)c1cc(C)sc1C	40272389	AUESXLHIPIMSDI-SNVBAGLBSA-N	202.750	4.445	50	20	BIGD	
CCC[C@@H](C)C[C@H](CBr)C(C)C	85052994	JEOJSVPJDIUYIR-GHMZBOCLSA-N	235.209	4.480	50	20	BIGD	
CC(C)c1[nH]nc(-c2ccsc2)c1CCl	409441593	RWMOVMKAQCUVQY-UHFFFAOYSA-N	240.759	4.000	50	20	BIGD	
CCC[C@@H](C)C[C@H](CC)CBr	85053231	GYVAXXPRVNNWTA-ZJUUUORDSA-N	221.182	4.234	50	20	BIGD	
O[C@@H](CCl)c1ccc(C2CCCCC2)cc1	12506240	WUEXWVTYDUMQPR-AWEZNQCLSA-N	238.758	4.007	50	20	BIGD	
CC[C@@](C)(CBr)Cc1cccs1	85052120	ZFZDXQTXQQBPKY-SNVBAGLBSA-N	247.201	4.102	50	20	BIGD	
CC[C@H](C)C[C@@H](CBr)C(C)C	85053184	CRDMAWCMHYZCIQ-UWVGGRQHSA-N	221.182	4.090	50	20	BIGD	
CC[C@@H](C)[C@H](C)C(C)(C)CBr	307740350	NVIDCWFONSHXAL-BDAKNGLRSA-N	221.182	4.090	50	20	BIGD	
CC[C@H](C)C[C@H](CBr)CC(C)C	85052501	LWRBMPJTTKMNKO-WDEREUQCSA-N	235.209	4.480	50	20	BIGD	
CCCCCC(CCCCC)=NNC(=O)CC	743421635	DFRQVPJIGLIPPI-UHFFFAOYSA-N	240.391	4.029	50	20	BIGD	
CC[C@@H](C)C[C@@H](CBr)CC(C)C	85052502	LWRBMPJTTKMNKO-MNOVXSKESA-N	235.209	4.480	50	20	BIGD	
CC(C)C[C@H](CBr)C(C)(C)C	162530686	XFSMLKPOPNIQGW-SECBINFHSA-N	221.182	4.090	50	20	BIGD	
CCCc1cccc(/C=C(\C#N)c2ccccn2)c1	186853446	XGXPTQCDQNEMCY-FOWTUZBSSA-N	248.329	4.098	50	20	BIGD	
CC(C)C[C@](C)(CBr)C(C)C	124151912	GLPCPOVFLVEMPF-SNVBAGLBSA-N	221.182	4.090	50	20	BIGD	
CC[C@@](C)(CBr)[C@H](C)C(C)C	307740530	OKWUNCYYCXZARO-ZJUUUORDSA-N	221.182	4.090	50	20	BIGD	
ClCC1(COCc2ccccc2)CCCC1	230090261	XIHYQIJVWTVMNX-UHFFFAOYSA-N	238.758	4.002	50	20	BIGD	
N#C/C=C/CSc1c(Cl)cccc1Cl	763303264	YQIQGEVLPAXGGI-OWOJBTEDSA-N	244.146	4.165	50	20	BIGD	
N#C/C=C\CSc1c(Cl)cccc1Cl	763303567	YQIQGEVLPAXGGI-UPHRSURJSA-N	244.146	4.165	50	20	BIGD	
C[C@H](Br)Cc1ccc2ccccc2c1	62148120	DSZVHHSWRZEFKO-JTQLQIEISA-N	249.151	4.166	50	20	BIGD	
CCC[C@@H](CBr)C1CCCCC1	130041219	USZZOSSRIVWGOV-NSHDSACASA-N	233.193	4.378	50	20	BIGD	
CC(C)(C)[C@H](CCl)COCc1ccccc1	230090870	LHBXSUSOIFKQAN-CYBMUJFWSA-N	240.774	4.104	50	20	BIGD	
BrCC1(C2CCCCCC2)CC1	130031680	VKHJLKKUNSYPCT-UHFFFAOYSA-N	231.177	4.132	50	20	BIGD	
Cc1nc(-c2ccccc2Cl)oc1CCl	238535735	ZHAVUKGHLKSEPW-UHFFFAOYSA-N	242.105	4.042	50	20	BIGD	
CCC1CCC(CCCBr)CC1	82856904	ALOPLIQKXPZJPX-UHFFFAOYSA-N	233.193	4.378	50	20	BIGD	
CC(C)C[C@@H](CCl)COCc1ccccc1	230090315	FCOZTYHTYSMFHS-AWEZNQCLSA-N	240.774	4.104	50	20	BIGD	
CC1CCC(C[C@@H](C)CBr)CC1	82856960	VZXLDRMFWVZSKQ-HSOILSAZSA-N	233.193	4.234	50	20	BIGD	
CNc1cccc(S(F)(F)(F)(F)F)c1	186152960	DGNWMBDKZOQPHB-UHFFFAOYSA-N	233.205	4.386	50	20	BIGD	
C[C@H](O[Si](C)(C)C(C)(C)C)c1nccs1	170019080	NSAQBPPNYVJVON-VIFPVBQESA-N	243.448	4.226	50	20	BIGD	
CCCCCC1(CBr)CCC1	85050892	KNZPZBWMSVJXKI-UHFFFAOYSA-N	219.166	4.132	50	20	BIGD	
Cc1cccc2nc(CCl)c(Cl)c(C)c12	95942525	ZCRZRUBYZPOAJZ-UHFFFAOYSA-N	240.133	4.244	50	20	BIGD	
CC(C)(C)[C@@H](CCl)COCc1ccccc1	230090864	LHBXSUSOIFKQAN-ZDUSSCGKSA-N	240.774	4.104	50	20	BIGD	
CC[C@H](C)[C@@]1(CBr)CC=CCC1	307651749	MNKKFTHBLONJBB-QWRGUYRKSA-N	231.177	4.154	50	20	BIGD	
C[C@@H](Br)Cc1cccc2ccccc12	62165870	TZWKBQJNXQAKPC-SNVBAGLBSA-N	249.151	4.166	50	20	BIGD	
C=C[C@](C)(CCl)CCOCc1ccccc1	306434697	CGNBJHSNYKDTSR-AWEZNQCLSA-N	238.758	4.024	50	20	BIGD	
CC[C@](C)(CBr)[C@@H](C)C(C)C	307740529	OKWUNCYYCXZARO-VHSXEESVSA-N	221.182	4.090	50	20	BIGD	
ClCc1ccc2cc(CCl)ccc2c1	42988998	RGAMXQRIMZYOPM-UHFFFAOYSA-N	225.118	4.317	50	20	BIGD	
CC[C@H](CCl)c1ccc(Br)cc1	49783448	LTYLRBWFVZYBNC-MRVPVSSYSA-N	247.563	4.182	50	20	BIGD	
CC[C@@H](C)[C@@H](C)C(C)(C)CBr	307740353	NVIDCWFONSHXAL-RKDXNWHRSA-N	221.182	4.090	50	20	BIGD	
N#C/C=C\CSc1cc(Cl)ccc1Cl	763298018	KZXAABCLZIZHLC-UPHRSURJSA-N	244.146	4.165	50	20	BIGD	
CC[C@H](C)[C@H](CBr)C(C)(C)C	162545309	LCVHJZCYTGXSEL-IUCAKERBSA-N	221.182	4.090	50	20	BIGD	
ClCc1ccc(C2CC2)cc1Br	1585337401	GAZCJUVCFJUHSP-UHFFFAOYSA-N	245.547	4.065	50	20	BIGD	
Cc1cccc(CBr)c1C(C)C	261507270	GYWSFGMXQUCCSD-UHFFFAOYSA-N	227.145	4.013	50	20	BIGD	
BrCC1(CC2CCCCC2)CC1	203635602	XUGYPRNGYLIWKK-UHFFFAOYSA-N	231.177	4.132	50	20	BIGD	
ClCc1c(C2CCC2)n[nH]c1C1CCCC1	409439211	HNYOSQGPZMUERY-UHFFFAOYSA-N	238.762	4.074	50	20	BIGD	
CC(C)C[C@@](C)(CBr)C(C)C	124151720	GLPCPOVFLVEMPF-JTQLQIEISA-N	221.182	4.090	50	20	BIGD	
CC(C)(CCl)CCCOCc1ccccc1	307593357	IVCGBGCDOPYUBC-UHFFFAOYSA-N	240.774	4.248	50	20	BIGD	
ClCc1c(C2CCC2)n[nH]c1-c1ccccc1	409442005	WBAPJXNLRGOTOL-UHFFFAOYSA-N	246.741	4.083	50	20	BIGD	
CC(C)[C@@H](CCl)CCOCc1ccccc1	307444839	OTOGFRYALVOCLE-CQSZACIVSA-N	240.774	4.104	50	20	BIGD	
C[C@H](Br)Cc1cccc2ccccc12	1593344	TZWKBQJNXQAKPC-JTQLQIEISA-N	249.151	4.166	50	20	BIGD	
Cc1ccccc1-c1cccc(C=C(C#N)C#N)c1	105356804	ZCYIPBADGJYVGZ-UHFFFAOYSA-N	244.297	4.093	50	20	BIGD	
CC(C)(CBr)C1CCCCCC1	168490829	GBCOTOQYEJWFBX-UHFFFAOYSA-N	233.193	4.378	50	20	BIGD	
Cc1ccc(S[C@H](Cl)C(F)(F)F)cc1	4204977	GBVYVHXGHJYGKY-QMMMGPOBSA-N	240.677	4.214	50	20	BIGD	
CC[C@H](CCl)c1cccc(Cl)c1	85657535	UPJBROOPLUENHN-MRVPVSSYSA-N	203.112	4.072	50	20	BIGD	
CC(C)(C)[C@@H](CBr)C1CCCC1	162556856	SVIRNMIBXSIUJP-JTQLQIEISA-N	233.193	4.234	50	20	BIGD	
CC(C)(CBr)CCc1ccsc1	85050236	SXVXLSDEUCHAOA-UHFFFAOYSA-N	247.201	4.102	50	20	BIGD	
C#Cc1ccccc1O[Si](C)(C)C(C)(C)C	299890034	SQMLSVDDSDLEMQ-UHFFFAOYSA-N	232.399	4.052	50	20	BIGD	
CCC(CC)(CCl)COCc1ccccc1	230090287	OCTHAZCMGAVHLL-UHFFFAOYSA-N	240.774	4.248	50	20	BIGD	
ClCc1cccc2cccc(CCl)c12	100103278	RBOMVULADCTBLK-UHFFFAOYSA-N	225.118	4.317	50	20	BIGD	
CCC[C@H](Cl)c1cc(C)sc1C	40272388	AUESXLHIPIMSDI-JTQLQIEISA-N	202.750	4.445	50	20	BIGD	
CC[C@@H](CCl)Cc1ccc(Cl)s1	85045394	MTMKMTBQYKCYQB-SSDOTTSWSA-N	223.168	4.209	50	20	BIGD	
C[C@@H](Br)Cc1ccc2ccccc2c1	62148121	DSZVHHSWRZEFKO-SNVBAGLBSA-N	249.151	4.166	50	20	BIGD	
FC(F)c1cc(CCl)cc(C(F)F)c1	1898225506	HKZPBUSWPZENBI-UHFFFAOYSA-N	226.600	4.301	50	20	BIGD	
CC[C@@H](C)C[C@H](CBr)C(C)C	85053185	CRDMAWCMHYZCIQ-NXEZZACHSA-N	221.182	4.090	50	20	BIGD	
C#Cc1cccc(CO[Si](C)(C)C(C)(C)C)c1	195944071	PXSJIPZOEJQUBB-UHFFFAOYSA-N	246.426	4.190	50	20	BIGD	
C=CC[C@H](CCl)CCOCc1ccccc1	306882485	NLJMWDAXPZUAEC-ZDUSSCGKSA-N	238.758	4.024	50	20	BIGD	
CN(C)c1ccc(S(F)(F)(F)(F)F)cc1	1143462681	LPYIRLBXLHFEAX-UHFFFAOYSA-N	247.232	4.410	50	20	BIGD	
CC(C)c1ccc(/C=C(\C#N)c2ccccn2)cc1	5128534	FGAOZBXJKYQMPT-LFIBNONCSA-N	248.329	4.269	50	20	BIGD	
CC(C)[C@H](CBr)CCC(C)(F)F	716265486	BEIDXAPGHQCJQT-QMMMGPOBSA-N	243.135	4.089	50	20	BIGD	
CC(C)(CBr)C[C@H]1C[C@H]2CC[C@H]1C2	250374296	XUQFSOBDSHIENO-GARJFASQSA-N	245.204	4.234	50	20	BIGD	
CC[C@@H](CCl)c1ccccc1Cl	86369784	DXOBHVLRSDIQNO-QMMMGPOBSA-N	203.112	4.072	50	20	BIGD	
CC[C@@H](C)[C@]1(CBr)CC=CCC1	307651747	MNKKFTHBLONJBB-GHMZBOCLSA-N	231.177	4.154	50	20	BIGD	
N#C/C=C\CSc1ccc2ccccc2c1	763302021	RIYNVKZNKZYOHU-ARJAWSKDSA-N	225.316	4.012	50	20	BIGD	
CC(C)CC1(CBr)CCCCC1	85051271	WTHRPICCSXCUPK-UHFFFAOYSA-N	233.193	4.378	50	20	BIGD	
CCC[C@@](F)(CBr)c1ccccc1	409426809	GLGIYNPTHDWOLY-LLVKDONJSA-N	245.135	4.046	50	20	BIGD	
CC(C)CC(CBr)CC(C)C	85052339	PKXFZYIMHJSHSJ-UHFFFAOYSA-N	221.182	4.090	50	20	BIGD	
CC(C)C[C@H](C)C(C)(C)CBr	307606293	AWLCWPZXMOPCDS-VIFPVBQESA-N	221.182	4.090	50	20	BIGD	
ClCCCc1ccc(Cl)c(Cl)c1	58003846	QHZVCUUBIAASQE-UHFFFAOYSA-N	223.530	4.165	50	20	BIGD	
CC[C@@](C)(CBr)[C@@H](C)C(C)C	307740528	OKWUNCYYCXZARO-UWVGGRQHSA-N	221.182	4.090	50	20	BIGD	
C[C@@H](O[Si](C)(C)C(C)(C)C)c1nccs1	170019082	NSAQBPPNYVJVON-SECBINFHSA-N	243.448	4.226	50	20	BIGD	
Clc1cccc2c1[C@H](Br)CCC2	2332240645	LJDLVHFDLFVPGG-MRVPVSSYSA-N	245.547	4.112	50	20	BIGD	
Cc1cc(C)c(/C=C(/C#N)c2ccccn2)c(C)c1	33590405	XTQCNMONINRPRU-GDNBJRDFSA-N	248.329	4.071	50	20	BIGD	
O=C(Cl)OC1(C(F)(F)F)CCCCCC1	716355221	IAIXUYZHMWVEBU-UHFFFAOYSA-N	244.640	4.017	50	20	BIGD	
CC(C)C[C@@H](CBr)C(C)(C)C	162530592	XFSMLKPOPNIQGW-VIFPVBQESA-N	221.182	4.090	50	20	BIGD	
CC[C@](C)(CBr)Cc1cccs1	85052119	ZFZDXQTXQQBPKY-JTQLQIEISA-N	247.201	4.102	50	20	BIGD	
CCC[C@@H](C)C[C@@H](CC)CBr	85053229	GYVAXXPRVNNWTA-NXEZZACHSA-N	221.182	4.234	50	20	BIGD	
CC[C@@H](C)[C@H](CBr)C(C)(C)C	162545184	LCVHJZCYTGXSEL-BDAKNGLRSA-N	221.182	4.090	50	20	BIGD	
CC[C@@H](CCl)c1ccc(Cl)cc1	49779920	ZPZVBZTYGDJVQS-QMMMGPOBSA-N	203.112	4.072	50	20	BIGD	
CC[C@H](C)C1(CBr)CCCCC1	87177101	VJUBWVNQXGALIO-JTQLQIEISA-N	233.193	4.378	50	20	BIGD	
C[C@H](CBr)C[C@@H]1CCC[C@H](C)C1	251894012	SADKPZDKCJDPQV-GARJFASQSA-N	233.193	4.234	50	20	BIGD	
CC(C)C[C@]1(CBr)CC=CCC1	306196971	LXQIKHQYRFTJFU-NSHDSACASA-N	231.177	4.154	50	20	BIGD	
C[Si](C)(C)CC1(CBr)CCCC1	230929218	IMAQJUNJBLMNGT-UHFFFAOYSA-N	249.268	4.280	50	20	BIGD	
ClCC1(c2ccccc2)CCCCC1	49779930	CZXWMRBJLSTEJS-UHFFFAOYSA-N	208.732	4.127	50	20	BIGD	
CC(C)[C@H](C)C1(CBr)CCCC1	306259833	SWVZIKACDBPWNH-JTQLQIEISA-N	233.193	4.234	50	20	BIGD	
CC[C@H](C)C[C@@H](CBr)CC(C)C	85052503	LWRBMPJTTKMNKO-QWRGUYRKSA-N	235.209	4.480	50	20	BIGD	
CC(C)CCCCCCCBr	2392184	NVOKZLKGFWNMCD-UHFFFAOYSA-N	221.182	4.378	50	20	BIGD	
CC[C@](C)(CBr)[C@H](C)C(C)C	307740527	OKWUNCYYCXZARO-NXEZZACHSA-N	221.182	4.090	50	20	BIGD	
CCCCCC[C@H](CC)CBr	85053288	JHYWIJGBHYDMLH-JTQLQIEISA-N	221.182	4.378	50	20	BIGD	
CC1(C)CCC(CCCBr)CC1	306437234	JHHKIHQJWSIXKE-UHFFFAOYSA-N	233.193	4.378	50	20	BIGD	
CCCC[C@H](CBr)CC(C)C	85052340	DUDPZMNULBOHAV-JTQLQIEISA-N	221.182	4.234	50	20	BIGD	
CC(C)c1[nH]nc(-c2cccs2)c1CCl	409442165	XEGWFADWFXIGPK-UHFFFAOYSA-N	240.759	4.000	50	20	BIGD	
CC[C@H](C)[C@@H](C)C(C)(C)CBr	307740351	NVIDCWFONSHXAL-DTWKUNHWSA-N	221.182	4.090	50	20	BIGD	
Cc1cc(C)c([C@H](C)CBr)c(C)c1	49783393	RNAJMBKMWVRUGK-LLVKDONJSA-N	241.172	4.110	50	20	BIGD	
C[C@H](Br)CCC1CCCCC1	71116651	SJVOAEYMLPIOQQ-VIFPVBQESA-N	219.166	4.130	50	20	BIGD	
CC[C@@H](CBr)c1cccc(Cl)c1	85663687	PGCYHTHPGHSUTG-QMMMGPOBSA-N	247.563	4.229	50	20	BIGD	
CC(C)(CCC=O)CO[Si](C)(C)C(C)(C)C	196253893	OXIHGSYQSXJODD-UHFFFAOYSA-N	244.451	4.014	50	20	BIGD	
CC(=C\c1ccccc1)/C=C(/C#N)c1ccccn1	206059690	FQKNNWWIBZYAGS-YUTYINLDSA-N	246.313	4.092	50	20	BIGD	
CC(C)C[C@@]1(CBr)CC=CCC1	306196970	LXQIKHQYRFTJFU-LLVKDONJSA-N	231.177	4.154	50	20	BIGD	
CC(C)[C@H](CCl)CCOCc1ccccc1	307444836	OTOGFRYALVOCLE-AWEZNQCLSA-N	240.774	4.104	50	20	BIGD	
C[C@@H](CBr)c1cccc2ccccc12	85663718	HIBKMMTUEQOODQ-JTQLQIEISA-N	249.151	4.338	50	20	BIGD	
Cc1c(Cl)c(CCl)nc2cc(F)ccc12	783687902	PYGKZUZODGZBEV-UHFFFAOYSA-N	244.096	4.075	50	20	BIGD	
CC[C@H](Cl)c1ccc(C(F)(F)F)cc1	300779623	RQZLYAGTUOUCHP-VIFPVBQESA-N	222.637	4.395	50	20	BIGD	
CC(C)c1ccc([C@@H](O)CCl)c(C(C)C)c1	12506269	XRKKVEHJRHTTGS-AWEZNQCLSA-N	240.774	4.206	50	20	BIGD	
C[Si](C)(C)CC1(CCl)CCCC1	230928988	YNZCGYHQFYQFOR-UHFFFAOYSA-N	204.817	4.124	50	20	BIGD	
CCC[C@H](C)C[C@H](CC)CBr	85053232	GYVAXXPRVNNWTA-UWVGGRQHSA-N	221.182	4.234	50	20	BIGD	
CC(C)C[C@H](CCl)COCc1ccccc1	230090319	FCOZTYHTYSMFHS-CQSZACIVSA-N	240.774	4.104	50	20	BIGD	
CC(C)[C@@H](C)C1(CBr)CCCC1	306259834	SWVZIKACDBPWNH-SNVBAGLBSA-N	233.193	4.234	50	20	BIGD	
CC(C)(CBr)CC1(C)CCCC1	307103852	FDRORYGOWZZCDA-UHFFFAOYSA-N	233.193	4.378	50	20	BIGD	
CCCCCCC[C@@H](C)CBr	114930333	AKUPYXWXVMAYHE-SNVBAGLBSA-N	221.182	4.378	50	20	BIGD	
CC[C@H](CBr)C1CCCCCC1	130043502	RTPSLKYARCRTNT-SNVBAGLBSA-N	233.193	4.378	50	20	BIGD	
CCCCC1(CBr)CCCC1	85051358	JXBRBUOYWMRCMY-UHFFFAOYSA-N	219.166	4.132	50	20	BIGD	
CC[C@@](C)(CBr)Cc1ccsc1	85052294	FCQMXZUHSXVSQY-SNVBAGLBSA-N	247.201	4.102	50	20	BIGD	
CC(C)[C@@](C)(CCl)COCc1ccccc1	230090897	HURSFUJTQWBCGE-AWEZNQCLSA-N	240.774	4.104	50	20	BIGD	
CC(C)(CBr)C[C@@H]1C[C@H]2CC[C@H]1C2	250374289	XUQFSOBDSHIENO-DCAQKATOSA-N	245.204	4.234	50	20	BIGD	
CC(C)CC[C@@H](CBr)CC(C)C	85052421	QCLDMIUBWIOCOJ-LLVKDONJSA-N	235.209	4.480	50	20	BIGD	
CC[C@@H](CCl)c1cccc(Cl)c1	85657532	UPJBROOPLUENHN-QMMMGPOBSA-N	203.112	4.072	50	20	BIGD