smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#CC=C1CCCCC1	1657467	VLRQRRQHXZCEDL-UHFFFAOYSA-N	121.183	2.400	50	40	AEGB	
O=C(NCCCl)Oc1ccccc1	1615354	OQEWMPDHUJWKJA-UHFFFAOYSA-N	199.637	2.014	50	40	AEGB	
O/N=C1/[C@H]2C[C@H]([C@H]1Cl)[C@@H]1CC=C[C@H]21	104385311	XWOWVYPUZLZOMQ-RCZPAPLJSA-N	197.665	2.266	50	40	AEGB	
O=C(CCl)OCCc1ccccc1	1597240	MVUXHXZFGGRGNC-UHFFFAOYSA-N	198.649	2.011	50	40	AEGB	
O=[S@@](Cl)c1ccc(F)cc1	100875960	BJWMYGBNKQPQLX-JTQLQIEISA-N	178.615	2.087	50	40	AEGB	
CN(C)c1ccc(/C=C/C#N)cc1	1624973	CSCOHKCYDZVRMQ-ONEGZZNKSA-N	172.231	2.289	50	40	AEGB	in-vitro
ClC/C=C/CO[C@H]1CCCCO1	1613586	MEQZNJKQSDWFHR-LXOKAJLYSA-N	190.670	2.325	50	40	AEGB	
Cc1ccc(CNCCCl)cc1	1649046	OOPWLMSLQAVSBY-UHFFFAOYSA-N	183.682	2.323	50	40	AEGB	
CCC[C@@]1(C)OC[C@@H](CCl)O1	1676109	DMLQPRQFFQISDW-SFYZADRCSA-N	178.659	2.157	50	40	AEGB	
C[C@H](Cl)C[C@@H]1[C@H](CN)C1(C)C	4863187	SNLLQYROABBGMM-RNJXMRFFSA-N	175.703	2.235	50	40	AEGB	
Cc1cc(Cl)nc(CCl)n1	39218348	FSBKPAXOVUZZPV-UHFFFAOYSA-N	177.034	2.177	50	40	AEGB	in-vitro
CC1=CC[P@@](=O)(Cl)C1	95670939	SEELALQWTFWSMS-QMMMGPOBSA-N	150.545	2.463	50	40	AEGB	
O[C@H](CCCl)c1cccs1	21984503	YISRPYKYTBBHBK-ZCFIWIBFSA-N	176.668	2.410	50	40	AEGB	
CC(F)(F)COC(=O)Cl	703581694	JXPRXADAANPJFN-UHFFFAOYSA-N	158.531	2.017	50	40	AEGB	
CC(F)(F)OCCCCl	1083807937	FJOJBLUCKZGMHW-UHFFFAOYSA-N	158.575	2.245	50	40	AEGB	
COCc1nc(CCl)cs1	26511167	LVUAQOMXCHGZDW-UHFFFAOYSA-N	177.656	2.028	50	40	AEGB	in-vitro
CCCCCCCC/C=N/NC(N)=O	104261639	HFQJHSDJEDVMNP-FMIVXFBMSA-N	199.298	2.391	50	40	AEGB	
CCC/C=C(\C=O)CC	2031540	PYLMCYQHBRSDND-VURMDHGXSA-N	126.199	2.322	50	40	AEGB	
Oc1ccc(CCl)cc1	2034013	SSIMHHUMYMHNID-UHFFFAOYSA-N	142.585	2.131	50	40	AEGB	in-vitro
C[C@H](Cc1cccs1)N=C=O	19784180	JSCBCQPUPGCGAH-SSDOTTSWSA-N	167.233	2.015	50	40	AEGB	in-vitro
C[C@H]1CCC(Cl)=C(C=O)C1	36928097	BQZCWZXFUYRYOO-LURJTMIESA-N	158.628	2.498	50	40	AEGB	
S=C=N[C@H]1C[C@@H]2C=C[C@H]1C2	15022835	NQXLBONFJOFNHD-CSMHCCOUSA-N	151.234	2.054	50	40	AEGB	
CCc1cc(CBr)on1	38880895	YCZVNYPFSNGXGJ-UHFFFAOYSA-N	190.040	2.132	50	40	AEGB	
CCC(C#N)(CC)C(=O)Cl	257198219	WJTRIDNPHGIHRN-UHFFFAOYSA-N	159.616	2.082	50	40	AEGB	
N#CC(C#N)=Cc1ccsc1	101101	ZKWANBRFSVNZTG-UHFFFAOYSA-N	160.201	2.179	50	40	AEGB	
C=C(Cl)CBr	1668617	MAYPXMSOHAQNPB-UHFFFAOYSA-N	155.422	2.134	50	40	AEGB	
CC(C)n1ccc(CCl)n1	68589970	OOCAUYWXRMOUET-UHFFFAOYSA-N	158.632	2.203	50	40	AEGB	in-vitro
ClCc1ccc(NC2CC2)nc1	72225691	WAVDTGJZDWYGGD-UHFFFAOYSA-N	182.654	2.395	50	40	AEGB	
CC(C)CC/C(O)=C/C#N	100473622	BLMFWUGXZGJNDX-YVMONPNESA-N	139.198	2.388	50	40	AEGB	in-vitro
C[P@](=O)(Cl)c1ccccc1	95713604	BTMQENOUJJKBGT-SNVBAGLBSA-N	174.567	2.459	50	40	AEGB	
Cc1cccc(C(=O)F)c1	33836103	VBVAKEZGEQYPOQ-UHFFFAOYSA-N	138.141	2.105	50	40	AEGB	
C[C@H](Cl)CCN1CCCCC1	1691972	FLPDTRQIIPLGLX-VIFPVBQESA-N	175.703	2.490	50	40	AEGB	
N#CC/C(C#N)=C1\C=CCC1	1721563	WTRWLAGGIWBMFF-HJWRWDBZSA-N	144.177	2.070	50	40	AEGB	
ClCc1n[nH]c2c1CCCC2	72209770	VBUSJORKMODRCW-UHFFFAOYSA-N	170.643	2.027	50	40	AEGB	
CCCCCC(=O)OCCCl	16637828	JIUOWPDPFXJIAC-UHFFFAOYSA-N	178.659	2.349	50	40	AEGB	
C=CCN(CC=C)C[C@H](C)Cl	1700300	DTYDBNWBZMRKJU-VIFPVBQESA-N	173.687	2.288	50	40	AEGB	
N#Cc1ccc(CCl)c(F)c1	33975235	HBJIJFADGURZGI-UHFFFAOYSA-N	169.586	2.436	50	40	AEGB	in-vitro
O=C(Cl)[C@H]1C[C@H]2CC[C@H]1C2	100198717	GDBUZLAZTFSUEL-ACZMJKKPSA-N	158.628	2.188	50	40	AEGB	in-vitro
ClCCCNCc1ccccc1	1727826	MRBBWZVZGJDZBI-UHFFFAOYSA-N	183.682	2.405	50	40	AEGB	
ClC/C=C\c1cccnc1	38972998	BLXRWEPLTXHENJ-IWQZZHSRSA-N	153.612	2.334	50	40	AEGB	
CC(C)c1cccc2c1C(=O)OC2=O	100288945	AAPZMJNYFJUWHR-UHFFFAOYSA-N	190.198	2.121	50	40	AEGB	
CCOc1cc(CCl)sn1	22058580	VZELAVYQLWGPSV-UHFFFAOYSA-N	177.656	2.281	50	40	AEGB	in-vitro
C[Si](C)(C)OC1=CCCOC1	196039886	ZDLNVPWSYDEVOT-UHFFFAOYSA-N	172.300	2.142	50	40	AEGB	
O=C(N=C=S)C1CCCCC1	57211598	WSAOMDFBTKKMJA-UHFFFAOYSA-N	169.249	2.196	50	40	AEGB	in-vitro
ClC[C@H]1CCCN2CCCC[C@H]12	265567	IBXKSXHUBMYDFR-NXEZZACHSA-N	187.714	2.490	50	40	AEGB	in-vitro
O=[N+]([O-])c1cc(CCl)ccc1O	12409069	LCYZFNFGPVNDGS-UHFFFAOYSA-N	187.582	2.039	50	40	AEGB	in-vitro
CCC[C@H]1CCCC/C1=N/NC(N)=O	104255486	MEVUKWHWBFPUFV-ILETWAPCSA-N	197.282	2.001	50	40	AEGB	
[C-]#[N+][C@@H](C)CCCN(CC)CC	104512758	GIRRFOMQAVPLHL-JTQLQIEISA-N	168.284	2.416	50	40	AEGB	
[C-]#[N+]CCCCNC(=O)OC(C)(C)C	104461657	IQLSCBFFDOONPZ-UHFFFAOYSA-N	198.266	2.211	50	40	AEGB	
Clc1nnc(C(Cl)Cl)o1	1557346	RJBPSOVMNJXJBK-UHFFFAOYSA-N	187.413	2.199	50	40	AEGB	
C[C@@H](Cl)C(=O)OC1CCCCC1	6442722	OHRNNGVUQOZQNK-SSDOTTSWSA-N	190.670	2.490	50	40	AEGB	
O=C(Cl)c1ccc([N+](=O)[O-])s1	22065354	BYEANWQDRDXPPA-UHFFFAOYSA-N	191.595	2.035	50	40	AEGB	in-vitro
FC(F)(F)[C@H](Cl)CCl	2040782	QJMGASHUZRHZBT-UWTATZPHSA-N	166.957	2.395	50	40	AEGB	
CCCCN(C)C(=O)Cl	34343757	CHGVIQWWXDOWRN-UHFFFAOYSA-N	149.621	2.077	50	40	AEGB	
C[C@H]1CCCC(C=O)=C1Cl	96373447	BOVDDPPMDQZJGA-LURJTMIESA-N	158.628	2.498	50	40	AEGB	
[C-]#[N+][C@@H](C)CC(C)C	100521623	OXCNSVDIGOCZNL-ZETCQYMHSA-N	111.188	2.340	50	40	AEGB	
COc1ccc(F)cc1C#CCCl	37470760	RXGJQBVGECCKLU-UHFFFAOYSA-N	198.624	2.425	50	40	AEGB	
Cc1ccc(/C(C#N)=C\O)cc1	100026018	DOGUTBVQUQYPFC-YFHOEESVSA-N	159.188	2.418	50	40	AEGB	
N#C/C=C(/N)c1ccc(Cl)cc1	100921548	KJYOCBARUBWAHD-WEVVVXLNSA-N	178.622	2.163	50	40	AEGB	
Cc1cccc(C=C(C#N)C#N)c1	98148	VZUIMBZTZJCXIV-UHFFFAOYSA-N	168.199	2.426	50	40	AEGB	in-vitro
Cc1ccccc1N(C)C(=O)CCl	41209204	KOXBWXPIUCRXJY-UHFFFAOYSA-N	197.665	2.197	50	40	AEGB	
N#CC(C#N)=Cc1ccc(F)cc1	99963	XPUISCUAQHJPRK-UHFFFAOYSA-N	172.162	2.256	50	40	AEGB	in-vitro
Cl[C@H]1[C@H]2C=C[C@H](C2)[C@H]1Cl	104105480	ZFSMTYOLNXPHEU-UMRXKNAASA-N	163.047	2.407	50	40	AEGB	
ClCc1ccnc2[nH]ccc12	91296925	TYFNNVHCLAPKKE-UHFFFAOYSA-N	166.611	2.302	50	40	AEGB	
C[C@H](Cl)C(=O)C#Cc1ccccc1	238417080	DBPDNUOLPRSCLA-VIFPVBQESA-N	192.645	2.235	50	40	AEGB	
C/C(=N/NC(=O)c1ccco1)C(C)C	5383979	IBFPNUDNVUOZHV-FLIBITNWSA-N	194.234	2.041	50	40	AEGB	
N#CC1=C[C@H]2C=C[C@@H]3C[C@H](Cl)[C@@H]1[C@@H]23	43762145	XPGDJEIYEMRTGD-TYNFZLKGSA-N	191.661	2.496	50	40	AEGB	
[C-]#[N+]Cc1cc(F)ccc1F	95698191	RPTHQOZJWGPSOZ-UHFFFAOYSA-N	153.131	2.384	50	40	AEGB	
O=C=Nc1cccnc1C(F)(F)F	107461821	GOGKLJKWZKGFQU-UHFFFAOYSA-N	188.108	2.068	50	40	AEGB	
[C-]#[N+]CCOCc1ccccc1	108365622	ANCZKGBUKAMHMT-UHFFFAOYSA-N	161.204	2.122	50	40	AEGB	
ClCCC1CCOCC1	68958312	JYHQKKQUFZIKMD-UHFFFAOYSA-N	148.633	2.042	50	40	AEGB	in-vitro
C=C1CC(C#N)(CCl)C1	20358141	GOKATHKSBREYDB-UHFFFAOYSA-N	141.601	2.085	50	40	AEGB	
C=C[C@@H](Cl)C[C@@H]1CC[C@H]2O[C@H]12	104364921	NIPFFBCYRHNWCO-JQCXWYLXSA-N	172.655	2.347	50	40	AEGB	
O=C(O)[C@@H](CCl)c1ccccc1	1577298	PLXTXTKDRVJGNJ-QMMMGPOBSA-N	184.622	2.094	50	40	AEGB	
O=[N+]([O-])c1cc(CCl)cs1	36378539	NTWWIHRRMAEXMG-UHFFFAOYSA-N	177.612	2.395	50	40	AEGB	in-vitro
N#C[C@@H](Cl)c1cccc([N+](=O)[O-])c1	95094228	CTNXMASZWJWDPE-MRVPVSSYSA-N	196.593	2.398	50	40	AEGB	
CC(C)=CCC[C@@](C)(O)C#N	97949458	FROHVQGVFUDCRI-SECBINFHSA-N	153.225	2.007	50	40	AEGB	
CC(C)CC(=O)O[Si](C)(C)C	195767660	FEUVPJCEKKEDPZ-UHFFFAOYSA-N	174.316	2.411	50	40	AEGB	
N#C/C=C\c1ccccc1	13532158	ZWKNLRXFUTWSOY-DAXSKMNVSA-N	129.162	2.223	50	40	AEGB	
Cc1cc(CCl)ccn1	39263764	XDDLZDABUCJCMO-UHFFFAOYSA-N	141.601	2.129	50	40	AEGB	in-vitro
ClCc1nc(-c2ccoc2)no1	57218728	CKSLKNVKVLXKKG-UHFFFAOYSA-N	184.582	2.068	50	40	AEGB	in-vitro
S=C=N[C@H]1C[C@@H]2C=C[C@@H]1C2	100014914	NQXLBONFJOFNHD-PRJMDXOYSA-N	151.234	2.054	50	40	AEGB	
CC(=O)c1ccc(O)c(CCl)c1	3289291	LAMHAMBOLINJML-UHFFFAOYSA-N	184.622	2.334	50	40	AEGB	in-vitro
C[C@@H](Cc1cccs1)N=C=O	19784179	JSCBCQPUPGCGAH-ZETCQYMHSA-N	167.233	2.015	50	40	AEGB	in-vitro
COC(=O)c1oc(CCl)cc1C	20282700	ZWGFYPNKQGNYPI-UHFFFAOYSA-N	188.610	2.113	50	40	AEGB	in-vitro
O=C1C[C@H](Cl)C(=O)c2ccccc21	100354214	YFPSHVXMVUFALO-QMMMGPOBSA-N	194.617	2.063	50	40	AEGB	
[C-]#[N+][C@H](C)CC(C)C	100521619	OXCNSVDIGOCZNL-SSDOTTSWSA-N	111.188	2.340	50	40	AEGB	
N#CC(C#N)=Cc1cccc(F)c1	1625115	MLRZOABCXQDAOS-UHFFFAOYSA-N	172.162	2.256	50	40	AEGB	in-vitro
O=C(CCl)c1cccc([N+](=O)[O-])c1	2041163	LBHUVZXFCGZYDL-UHFFFAOYSA-N	199.593	2.016	50	40	AEGB	
CCOC(=O)/C(C#N)=C1/C=CCCC1	1716764	SBPSTCMTLCAFOM-KTKRTIGZSA-N	191.230	2.110	50	40	AEGB	
Fc1cccc2c1CCN=C2CCl	196845045	JBONHJROTKHSHA-UHFFFAOYSA-N	197.640	2.410	50	40	AEGB	
Cc1cc(CBr)ccn1	44185005	MVVGGQWHXOPXRQ-UHFFFAOYSA-N	186.052	2.285	50	40	AEGB	in-vitro
CO[C@H](C)c1noc([C@@H](C)Cl)n1	86573813	RYXYKMPXZZLHMT-RFZPGFLSSA-N	190.630	2.077	50	40	AEGB	
C[C@H]1CCCN(CCCl)CC1	4792432	BMIFAYYPASEWPK-VIFPVBQESA-N	175.703	2.347	50	40	AEGB	
CCn1c(CCl)nc2cnccc21	84148849	IGJXJKCBTVCZTO-UHFFFAOYSA-N	195.653	2.190	50	40	AEGB	
C[C@@H](Cl)C(=O)c1cccc(C#N)c1	39055196	UARINMNUBWFOHY-SSDOTTSWSA-N	193.633	2.368	50	40	AEGB	
N#CSc1ccsc1[N+](=O)[O-]	20676828	YNIHFJSDHNRWAL-UHFFFAOYSA-N	186.217	2.229	50	40	AEGB	
CCCCCCOC[C@@H](O)CCl	2569666	DNZUNVIOUMBUHF-VIFPVBQESA-N	194.702	2.183	50	40	AEGB	
C[C@@H](Br)C(=O)C1CCC1	238856898	XPFRRNUECDZICA-RXMQYKEDSA-N	191.068	2.139	50	40	AEGB	
O=C(Cl)[C@](F)(Cl)C(F)(F)F	16159142	UNATUTDSNCSLAP-UWTATZPHSA-N	198.930	2.219	50	40	AEGB	
COc1ncc(CCl)cc1C	72221931	LHLAVLWZZLITIM-UHFFFAOYSA-N	171.627	2.137	50	40	AEGB	
Cc1cc(C)n(CCCCl)n1	22209414	USEWLLRGTYJHJN-UHFFFAOYSA-N	172.659	2.129	50	40	AEGB	in-vitro
Cc1cc(N)cc(C)c1SC#N	34432981	XOSJWLNVZLKSSL-UHFFFAOYSA-N	178.260	2.459	50	40	AEGB	
CC(C)c1ccc([C@H](O)C#N)cc1	100050017	FLXIHTKCTUICKQ-LLVKDONJSA-N	175.231	2.367	50	40	AEGB	
S=C=Nc1cncc(Cl)c1	238512410	OSTLEJKIHWPSLV-UHFFFAOYSA-N	170.624	2.469	50	40	AEGB	
CC(C)(CN)CCCBr	1654069	LVWIMSNRESKHPW-UHFFFAOYSA-N	194.116	2.146	50	40	AEGB	
S=C=NC[C@@H]1C[C@H]2C=C[C@H]1C2	255190045	UOYVDGXAECHVGO-CIUDSAMLSA-N	165.261	2.301	50	40	AEGB	
Cc1ccc(NC(=O)N(C)N=O)cc1	4995586	LROYCOOKXXUFRY-UHFFFAOYSA-N	193.206	2.140	50	40	AEGB	
COc1cscc1C(=O)Cl	16124680	HUDMFKWYFJSOLR-UHFFFAOYSA-N	176.624	2.136	50	40	AEGB	
ClCc1cncn1CC1CC1	85216132	LKYYGMIBCBKFBD-UHFFFAOYSA-N	170.643	2.032	50	40	AEGB	
ClC1=C(Cl)SSN1	100313380	SACZOUDXHQCDRO-UHFFFAOYSA-N	174.077	2.490	50	40	AEGB	
CC[C@H](C)CN=C=S	2169697	MKWQGOSIKKPMLW-LURJTMIESA-N	129.228	2.135	50	40	AEGB	in-vitro
CC1=CCCC(C)=C1C=O	26892415	RJFOHUAFUDNCFL-UHFFFAOYSA-N	136.194	2.242	50	40	AEGB	
FC(F)(F)OCCCCl	115276789	VVCRLZPHSURKTI-UHFFFAOYSA-N	162.538	2.152	50	40	AEGB	
COc1ccc(F)c(C(=O)Cl)c1	75902525	SGRWKLWIQLXETK-UHFFFAOYSA-N	188.585	2.213	50	40	AEGB	
N#CSCc1ccccc1C#N	3844407	BSJFJTIHGQNAHQ-UHFFFAOYSA-N	174.228	2.273	50	40	AEGB	
ClCc1n[nH]c(-c2cccs2)n1	85385593	RNSVSCIJNVARJX-UHFFFAOYSA-N	199.666	2.272	50	40	AEGB	in-vitro
CCC#CCC#CCBr	96031265	MBUCOKBZJPDVNZ-UHFFFAOYSA-N	185.064	2.188	50	40	AEGB	in-vitro
CCc1nc(C)cc(N=C=S)n1	15418409	NVIAFLWXXBZDNL-UHFFFAOYSA-N	179.248	2.082	50	40	AEGB	
COC(F)(F)C(Cl)Cl	896988	RFKMCNOHBTXSMU-UHFFFAOYSA-N	164.966	2.029	50	40	AEGB	world
CC(C)(C)C[C@H]1O[C@@H]1CSC#N	1690632	FMKNLHJDTBHWOA-HTQZYQBOSA-N	185.292	2.404	50	40	AEGB	
CO[C@@H](C)c1noc([C@@H](C)Cl)n1	86573812	RYXYKMPXZZLHMT-UHNVWZDZSA-N	190.630	2.077	50	40	AEGB	
O/N=C1/[C@H]2C[C@H]([C@H]1Cl)[C@@H]1CC=C[C@@H]21	104385305	XWOWVYPUZLZOMQ-FADQPATMSA-N	197.665	2.266	50	40	AEGB	
CC[C@@H](C)CN=C=S	2169696	MKWQGOSIKKPMLW-ZCFIWIBFSA-N	129.228	2.135	50	40	AEGB	in-vitro
CC(C)c1noc([C@@H](C)Cl)n1	12760950	UPWCEHOTWIZDPS-RXMQYKEDSA-N	174.631	2.493	50	40	AEGB	in-vitro
COC(=O)c1ccc(CCCl)cc1	74942417	KOLIWBZDVYITNS-UHFFFAOYSA-N	198.649	2.255	50	40	AEGB	in-vitro
ClC[C@@H]1CC(c2ccccc2)=NO1	337337	WLLQJFBIUIVVSH-VIFPVBQESA-N	195.649	2.418	50	40	AEGB	
CC(C)(C)CN=C=S	2508122	RNMOLQDSODXHBY-UHFFFAOYSA-N	129.228	2.135	50	40	AEGB	
O[C@@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Cl	5049096	MMILRRKRQKGFRN-GWOFURMSSA-N	194.661	2.239	50	40	AEGB	
O=CC1=C(Cl)Cc2ccccc21	207144498	GCYDWEAUOHTNKY-UHFFFAOYSA-N	178.618	2.392	50	40	AEGB	
ClCc1ccco1	1587710	GANBJDIOIDQSGI-UHFFFAOYSA-N	116.547	2.018	50	40	AEGB	
N#CSC(=O)/C=C/c1ccccc1	4360924	CFWLZDJNFBPKRH-VOTSOKGWSA-N	189.239	2.441	50	40	AEGB	
CCn1nc(C)c(CCl)c1F	238854018	MCTWTEQKVDMTFL-UHFFFAOYSA-N	176.622	2.089	50	40	AEGB	
N#CC=Cc1ccccc1	1857775732	ZWKNLRXFUTWSOY-UHFFFAOYSA-N	129.162	2.223	50	40	AEGB	
CCCCC[C@H](O)CCl	39277439	PLOHTJPTRQIWDY-ZETCQYMHSA-N	150.649	2.166	50	40	AEGB	
CCCC1=NO[C@@H](CCl)C1	69969754	BPNOFBCDIXZPTH-SSDOTTSWSA-N	161.632	2.170	50	40	AEGB	
COc1cc(CCl)cc(Cl)n1	71289235	ZGVSEGYOCISGLQ-UHFFFAOYSA-N	192.045	2.482	50	40	AEGB	
CCCO[Si](C)(C)CCl	195761861	PKSAKMSWGKJVPG-UHFFFAOYSA-N	166.724	2.396	50	40	AEGB	
CC(C)CC(=O)NNc1ccccc1	1686732	AJYJCNNROHHFKR-UHFFFAOYSA-N	192.262	2.176	50	40	AEGB	
ClCc1ccc2cn[nH]c2c1	36533264	ODXPUHSZXVWKAT-UHFFFAOYSA-N	166.611	2.302	50	40	AEGB	
CC(C)(N)CCCCBr	1653895	JBBDNXNKBHNQCT-UHFFFAOYSA-N	194.116	2.289	50	40	AEGB	
C/C=C/C=C\COC(=O)[C@@H](C)Cl	5217995	ARYKFJXGHJRCRH-NVPNQYESSA-N	188.654	2.289	50	40	AEGB	
NCCCCCCCBr	44236376	RUAYXLGHNDOBIH-UHFFFAOYSA-N	194.116	2.291	50	40	AEGB	in-vitro
O=N[C@@H]1CCCC[C@@H]1Cl	5004383	IWTDSJVXBQXLLR-NTSWFWBYSA-N	147.605	2.303	50	40	AEGB	
CCOC(=O)/C(C#N)=C1\C=CCCC1	16929813	SBPSTCMTLCAFOM-MDZDMXLPSA-N	191.230	2.110	50	40	AEGB	
CCC/C=N/NC(=O)c1ccccc1	5257303	YPAQTLZWGSCWFM-FMIVXFBMSA-N	190.246	2.202	50	40	AEGB	
CC1(C)[C@@H]2CC[C@@](C)(C2)[C@]1(O)C#N	8385271	BTQHVUOBALCHNI-MIMYLULJSA-N	179.263	2.087	50	40	AEGB	
O=[N+]([O-])c1ccc(F)c(CCl)c1	82864442	JXEGJILGVKWEMR-UHFFFAOYSA-N	189.573	2.473	50	40	AEGB	
O=C(Cl)c1nc(C2CC2)cs1	98213506	PTCMPZCXGSCXLO-UHFFFAOYSA-N	187.651	2.400	50	40	AEGB	
CC(C)CCC(=O)OCCl	104685473	MKJZDYBPPCOKIQ-UHFFFAOYSA-N	164.632	2.162	50	40	AEGB	
C/C(Cl)=C/CCl	1648216	WLIADPFXSACYLS-RQOWECAXSA-N	124.998	2.368	50	40	AEGB	
N#CCc1ccccc1CN=C=S	4265404	YIOOZADMUHFTSV-UHFFFAOYSA-N	188.255	2.355	50	40	AEGB	
Cc1nn(C)c2ncc(CCl)cc12	38973991	JMIHUWXMTNSEJX-UHFFFAOYSA-N	195.653	2.016	50	40	AEGB	
C[C@@H](Cl)C(=O)c1ccc(C#N)cc1	306507690	YTGBDYIJOMOVNW-SSDOTTSWSA-N	193.633	2.368	50	40	AEGB	
Cc1ccc(CC(=O)CCl)cc1	19429621	FKYIKCMAJJDPQM-UHFFFAOYSA-N	182.650	2.345	50	40	AEGB	
Cc1ccsc1C(=O)CCl	13528249	HCEPFKMDXYBZCH-UHFFFAOYSA-N	174.652	2.478	50	40	AEGB	
CCCC(=O)OCCCCCl	5417411	GZWXVFLNGKLYTI-UHFFFAOYSA-N	178.659	2.349	50	40	AEGB	
O=C(Cl)c1ccc2c(c1)C(=O)CC2	199742768	MUENUFLBINXAKM-UHFFFAOYSA-N	194.617	2.195	50	40	AEGB	
N#Cc1ccc2nc(CCl)[nH]c2c1	43220545	XAMQWUSDVFFTGA-UHFFFAOYSA-N	191.621	2.173	50	40	AEGB	in-vitro
C[C@H]1O[C@H](CCl)OCC1(C)C	1667396	CPNYXLIWXPSHAB-RNFRBKRXSA-N	178.659	2.013	50	40	AEGB	
COc1ccc(CSC#N)cc1	39937525	QMVMMODZGPCSQF-UHFFFAOYSA-N	179.244	2.409	50	40	AEGB	
CCO/C=C(\C#N)c1nc(C)cs1	4218377	XJOBICKWCHNBSN-VMPITWQZSA-N	194.259	2.353	50	40	AEGB	
Cc1cccc(C(=O)CCl)c1O	39054985	FZEGRRITIJHDKE-UHFFFAOYSA-N	184.622	2.122	50	40	AEGB	
CCOC(=O)NCCCCCCl	1668631	WDOFQCLANBZIBJ-UHFFFAOYSA-N	193.674	2.142	50	40	AEGB	
Cc1ccnc(Cl)c1N=C=O	95097347	VWNNZNWHSPVSKT-UHFFFAOYSA-N	168.583	2.011	50	40	AEGB	
O=C(CCCCl)N1CCCCC1	1733471	NLURCGOBHUYBNK-UHFFFAOYSA-N	189.686	2.018	50	40	AEGB	in-vitro
BrCc1ccoc1	38234085	HOEQXFUBJFGJKA-UHFFFAOYSA-N	160.998	2.175	50	40	AEGB	
C[C@@H](CCl)N1CCCCC1	6487176	NOCHJUCFKGEGQP-QMMMGPOBSA-N	161.676	2.100	50	40	AEGB	in-vitro
BrCCc1ccncc1	40435023	HEYPEPZGVKJBFH-UHFFFAOYSA-N	186.052	2.019	50	40	AEGB	in-vitro
O[C@@H]1C[C@H]2c3ccccc3[C@H]1[C@@H]2Cl	104105561	MMILRRKRQKGFRN-LNFKQOIKSA-N	194.661	2.239	50	40	AEGB	
S=C1CCC[C@H]1Cl	228950429	WEBSCQWLXSBDBM-SCSAIBSYSA-N	134.631	2.148	50	40	AEGB	
FC(F)(F)c1nc(CCl)co1	96509810	KBUVYVDRAPJEKM-UHFFFAOYSA-N	185.532	2.432	50	40	AEGB	
C/C=C/C=C/C=C\C=C\C=O	1548337560	ADCGETJXLJQTBY-NYLDSGBMSA-N	148.205	2.430	50	40	AEGB	
C=C(Br)CSC#N	1674057	OJJNOLPRJFBIHN-UHFFFAOYSA-N	178.054	2.109	50	40	AEGB	
Cc1ccc([N+](=O)[O-])cc1C(=O)Cl	2509791	IZBCECJKBKJUIM-UHFFFAOYSA-N	199.593	2.282	50	40	AEGB	in-vitro
C[C@@]1(C2CCCCC2)CC(=O)OC1=O	100615637	OVNZJADZDSZWRT-NSHDSACASA-N	196.246	2.047	50	40	AEGB	in-vitro
O=C/C=C/c1cc(Cl)ccc1O	1702970	TWBSLXPPYNMYNJ-OWOJBTEDSA-N	182.606	2.258	50	40	AEGB	
C/C=C/[C@@H](C#N)O[Si](C)(C)C	195471275	WWNMTKNCFACRKM-GJIOHYHPSA-N	169.300	2.306	50	40	AEGB	
COC(=O)c1ccc(/C=C/C#N)cc1	1569222	QEXRDLACHBWICR-NSCUHMNNSA-N	187.198	2.010	50	40	AEGB	
O=C(Cl)[C@@](F)(Cl)C(F)(F)F	16159144	UNATUTDSNCSLAP-REOHCLBHSA-N	198.930	2.219	50	40	AEGB	
O=C(/C=C/c1ccco1)CCl	238537421	SKANMFMBHCOFEL-ONEGZZNKSA-N	170.595	2.101	50	40	AEGB	
N#CSc1cccc([N+](=O)[O-])c1F	604221696	WLZWCPNLBUVXBT-UHFFFAOYSA-N	198.178	2.307	50	40	AEGB	
Cc1cccc2nc(CCl)cn12	564764	JDCPXRGFZRCZBD-UHFFFAOYSA-N	180.638	2.382	50	40	AEGB	in-vitro
O=C(CCCl)OC1CCCC1	1566600	QNRAOHYANRENQI-UHFFFAOYSA-N	176.643	2.101	50	40	AEGB	
CCCCC[C@@H](O)CCl	35803388	PLOHTJPTRQIWDY-SSDOTTSWSA-N	150.649	2.166	50	40	AEGB	
ClCCN1C[C@H]2CCCC[C@H]2C1	1682055	PNSLIXYBEOQZMG-AOOOYVTPSA-N	187.714	2.347	50	40	AEGB	
Fc1cccc(C#CCCl)c1	57840758	ZMKACOITOHDBCW-UHFFFAOYSA-N	168.598	2.416	50	40	AEGB	
CC(C)(CCC(C)(C)OO)OO	59900587	JGBAASVQPMTVHO-UHFFFAOYSA-N	178.228	2.303	50	40	AEGB	
Cc1nn(C)c(Cl)c1CCl	12505283	XOTLGNMHWAMHQF-UHFFFAOYSA-N	179.050	2.121	50	40	AEGB	in-vitro
S=C=Nc1cc(Cl)ccn1	141238297	QZONQNWPWIGKHD-UHFFFAOYSA-N	170.624	2.469	50	40	AEGB	
O=C=Nc1ccc(F)cc1Cl	19509523	ABZXFFSLKUIGHE-UHFFFAOYSA-N	171.558	2.446	50	40	AEGB	in-vitro
CO[C@@H](C)c1noc([C@H](C)Cl)n1	86573814	RYXYKMPXZZLHMT-WHFBIAKZSA-N	190.630	2.077	50	40	AEGB	
Cc1cccc(C(=O)N=C=S)c1	2528092	DXKOLJYVHYILGA-UHFFFAOYSA-N	177.228	2.238	50	40	AEGB	in-vitro
C[Si](C)(C)OC1=CCCCO1	195787045	FTXCTXYJXIABGR-UHFFFAOYSA-N	172.300	2.490	50	40	AEGB	
CCC[C@]1(C)OC[C@H](CCl)O1	1676112	DMLQPRQFFQISDW-JGVFFNPUSA-N	178.659	2.157	50	40	AEGB	
C[C@H](Cl)C(=O)c1ccco1	32005843	SECAUKYYYLEWRY-YFKPBYRVSA-N	158.584	2.090	50	40	AEGB	
[C-]#[N+]CCC(C)(C)C	95698171	JNJMTWMPRJYHSG-UHFFFAOYSA-N	111.188	2.342	50	40	AEGB	
CC(C)C12CCC(CC1)OO2	68571811	XELDEOFSBQXBPG-UHFFFAOYSA-N	156.225	2.286	50	40	AEGB	
C[C@@H](Cl)C(=O)NC1CCCCC1	11538223	XEZUQDMCORIBFZ-SSDOTTSWSA-N	189.686	2.063	50	40	AEGB	in-vitro
CC(=O)c1ccc(C(=O)Cl)cc1	39056649	UZPDKLGPANSZTM-UHFFFAOYSA-N	182.606	2.268	50	40	AEGB	
O/N=C1\[C@H]2C[C@H]([C@H]1Cl)[C@@H]1CC=C[C@@H]21	104385303	XWOWVYPUZLZOMQ-JHSDLLIRSA-N	197.665	2.266	50	40	AEGB	
N#Cc1cc(CCl)ccc1F	66325716	CSPDAAJCKMRPJS-UHFFFAOYSA-N	169.586	2.436	50	40	AEGB	
ClCc1cccc(C2OCCO2)c1	77054738	APVBNRSRTUJSFU-UHFFFAOYSA-N	198.649	2.471	50	40	AEGB	
O=C(Cl)C(F)(F)C(F)(F)Cl	14611410	UTCWESKNHLBRDD-UHFFFAOYSA-N	198.930	2.219	50	40	AEGB	in-vitro
Cc1nc2ccccn2c1C(=O)Cl	4262685	QJAGTQMIHLHZFS-UHFFFAOYSA-N	194.621	2.022	50	40	AEGB	
Cn1nc(CCl)cc1C(F)(F)F	72209582	YDRDGRBFCXHCCG-UHFFFAOYSA-N	198.575	2.178	50	40	AEGB	
CO/N=C/C(C#N)=C/c1cccs1	3046982	YOJREVNOTVRLTJ-FBSVACHXSA-N	192.243	2.287	50	40	AEGB	
CCCC[C@H](CC)/C(C)=N\NC(N)=O	16927806	CSNRQKYOXIHLFE-RILYUOAZSA-N	199.298	2.247	50	40	AEGB	
COOc1c(C)sc(C)c1C=O	334304	PUMPEPLMDFNFPP-UHFFFAOYSA-N	186.232	2.118	50	40	AEGB	
N#CCc1ccc(C(=O)Cl)cc1	39056563	IDJPSZGJLOCLLB-UHFFFAOYSA-N	179.606	2.132	50	40	AEGB	
C[C@@H]1CC(Cl)=C(C=O)C1	75529756	WACVZOREUMOLJI-YFKPBYRVSA-N	144.601	2.108	50	40	AEGB	
ClCc1n[nH]c2c1CCCCC2	230982323	IMLTYYAFVXFAMA-UHFFFAOYSA-N	184.670	2.417	50	40	AEGB	
Cc1ccccc1OC(=O)CCl	4411357	AKJVNNRACRFLQG-UHFFFAOYSA-N	184.622	2.139	50	40	AEGB	
C[C@H]1C[C@@H](Br)C[C@@H](C)O1	238853323	JARBCNALBGKFFF-ZMONIFLSSA-N	193.084	2.337	50	40	AEGB	
COC(=O)c1ccc(CCl)cc1	2009882	SATDLKYRVXFXRE-UHFFFAOYSA-N	184.622	2.212	50	40	AEGB	in-vitro
FC(F)(F)c1cnc(CCl)cn1	95642430	FDDCRYZDGUBGAZ-UHFFFAOYSA-N	196.559	2.234	50	40	AEGB	
COc1ccccc1/C=C/C#N	6424792	YEVWUIYSLYVPHB-GQCTYLIASA-N	159.188	2.232	50	40	AEGB	
C[C@@H]1CCC(=O)[C@H](Br)C1	39236603	ZGKHYOAPWMMURT-PHDIDXHHSA-N	191.068	2.139	50	40	AEGB	in-vitro
O=C(O)[C@@H](Cl)[C@H]1C[C@@H]2CC[C@@H]1C2	104221116	ZPMDCMFQFOOYLS-NGJRWZKOSA-N	188.654	2.115	50	40	AEGB	
O=C(Cl)c1cccc(O)c1Cl	199754145	AWUUKTZCSSDCFT-UHFFFAOYSA-N	191.013	2.425	50	40	AEGB	
O=C(O)CCCCCCCl	2040682	IGNBKLCFKTYIRI-UHFFFAOYSA-N	164.632	2.260	50	40	AEGB	
CNc1ncc(CCl)cc1C	72222008	UMPRLVYWEZHPIX-UHFFFAOYSA-N	170.643	2.171	50	40	AEGB	
Fc1cc2[nH]ncc2cc1CCl	89197046	UGMYFPKYFXJRSR-UHFFFAOYSA-N	184.601	2.441	50	40	AEGB	
O=C(CCl)[C@H]1C[C@H]2CC[C@H]1C2	100545418	UIDZIMRNPFTDKL-FXQIFTODSA-N	172.655	2.231	50	40	AEGB	in-vitro
CC(CCl)(CCl)C(=O)Cl	2162096	GTJUHRDCMURWFN-UHFFFAOYSA-N	189.469	2.236	50	40	AEGB	
O=C/C1=C\CCCCCC1	100235350	TZBOAAPYTXFCMK-TWGQIWQCSA-N	138.210	2.466	50	40	AEGB	
C[C@H]1C[C@H](Br)C[C@@H](C)O1	238853322	JARBCNALBGKFFF-KVSKUHBBSA-N	193.084	2.337	50	40	AEGB	
N#CC1=C[C@H]2C=C[C@@H]3C[C@H](Cl)[C@@H]1[C@H]23	104295561	XPGDJEIYEMRTGD-BTEFKNAISA-N	191.661	2.496	50	40	AEGB	
C=CCCCOCCl	2244264	JZTPLKRKISEKTC-UHFFFAOYSA-N	134.606	2.166	50	40	AEGB	
Clc1nc(CBr)co1	38312797	LSGZUOHCHISPLI-UHFFFAOYSA-N	196.431	2.223	50	40	AEGB	
S=C=N[C@@H]1C[C@@H]2C=C[C@@H]1C2	100014917	NQXLBONFJOFNHD-BWZBUEFSSA-N	151.234	2.054	50	40	AEGB	
O=[N+]([O-])c1ccc(CCCl)cc1	1727275	KYJGYIQRMAGKBT-UHFFFAOYSA-N	185.610	2.376	50	40	AEGB	
CC[C@H](C)OCCCl	44342219	LHOJSNIASAHOFE-LURJTMIESA-N	136.622	2.040	50	40	AEGB	
Nc1cccc(CCl)c1	58003991	BWDPPMPQZZILAG-UHFFFAOYSA-N	141.601	2.008	50	40	AEGB	in-vitro
O=C1[C@H]2C[C@@H]3C[C@@H]1[C@@H](Cl)[C@H](C3)C2	104265756	VWRCUEUBWJRNRQ-ZEBDFXRSSA-N	184.666	2.229	50	40	AEGB	
CC(C)NCC[C@H](C)Cl	1598622	SCCJPBKKDCRDFZ-ZETCQYMHSA-N	149.665	2.002	50	40	AEGB	
CC(=O)[C@H](Br)CC(C)C	1707782	AKXQIHQVZDCBJY-SSDOTTSWSA-N	193.084	2.385	50	40	AEGB	
ClC(Cl)c1ncco1	2540638	KZABMPDUXAWBCN-UHFFFAOYSA-N	151.980	2.151	50	40	AEGB	
CCCCCC(=O)N/N=C/C(C)C	9871540	FSFQFIIMPXHVFF-DHZHZOJOSA-N	184.283	2.325	50	40	AEGB	
CN(C=C(C#N)C#N)c1ccccc1	1559150	PSCBIEVLEFKPTH-UHFFFAOYSA-N	183.214	2.054	50	40	AEGB	
CC[C@H](C)c1nnc(CCl)o1	37510699	UBVAHPYTCFMQEY-YFKPBYRVSA-N	174.631	2.322	50	40	AEGB	
Cl[C@@H]1CCN[C@@H]2CCCC[C@@H]12	4127257	ZWRZSBDOSLQQRX-DJLDLDEBSA-N	173.687	2.146	50	40	AEGB	
ClCc1cc(C2CC2)no1	34335544	OWPNVMHFYHRWOK-UHFFFAOYSA-N	157.600	2.291	50	40	AEGB	
CCN(CC)CCCBr	1695087	UPASYJUQYLIDMN-UHFFFAOYSA-N	194.116	2.113	50	40	AEGB	
Cc1ccc(N(C)C(=O)CCl)cc1	34437062	UIOTXBHLAMFPSS-UHFFFAOYSA-N	197.665	2.197	50	40	AEGB	
Cc1ccc(C(=O)Cl)c(Cl)n1	12359099	ZDWXDEDBIUIQMY-UHFFFAOYSA-N	190.029	2.422	50	40	AEGB	
Cc1nc(Cl)ccc1C(=O)Cl	39056938	GOEBQWNZXWEQIK-UHFFFAOYSA-N	190.029	2.422	50	40	AEGB	
Cc1ccnc(CBr)c1	95093220	CZTCOXQVCBNPKF-UHFFFAOYSA-N	186.052	2.285	50	40	AEGB	in-vitro
O=P(F)(F)F	256056007	FFUQCRZBKUBHQT-UHFFFAOYSA-N	103.967	2.003	50	40	AEGB	
CN(C)c1ccccc1CCl	20435753	FLGAEXHFBVIJHH-UHFFFAOYSA-N	169.655	2.491	50	40	AEGB	in-vitro
O=C(Cl)[C@@H]1OCCc2ccccc21	39284920	TTXLXDJZJJGALT-SECBINFHSA-N	196.633	2.066	50	40	AEGB	
CC1=CC2=N[C@H](Cl)C=CN2N=C1C	95863268	DWBPXRCWSQUCKU-QMMMGPOBSA-N	195.653	2.115	50	40	AEGB	
O=[N+]([O-])c1ccccc1CCCl	70236054	TWVULDZVRRLVSF-UHFFFAOYSA-N	185.610	2.376	50	40	AEGB	
CCCCCCC1=C(C)C(=O)OC1=O	77293341	SAYHBWSPMUSNEJ-UHFFFAOYSA-N	196.246	2.357	50	40	AEGB	in-vitro
N#C/C(=C/O)c1cccc(F)c1	100026015	FQWVCVBVBQEKNW-VURMDHGXSA-N	163.151	2.248	50	40	AEGB	
CC(C)(CC(F)F)C(=O)Cl	1537963296	JULZGAUCXVOFEX-UHFFFAOYSA-N	170.586	2.433	50	40	AEGB	
N#CC1=C(C#N)SCCCS1	1560501	GGMGBCSRAUSFMU-UHFFFAOYSA-N	182.273	2.115	50	40	AEGB	
O=C=Nc1cnccc1C(F)(F)F	107461823	UZBJDZKTBCSNSG-UHFFFAOYSA-N	188.108	2.068	50	40	AEGB	
ClCc1cnn(-c2ccccc2)n1	842469	JQGWNYWXIBQGCL-UHFFFAOYSA-N	193.637	2.006	50	40	AEGB	
CCC(Cl)CC	2034410	CXQSCYIVCSCSES-UHFFFAOYSA-N	106.596	2.414	50	40	AEGB	
O=C(N=C=S)c1ccc(F)cc1F	21964249	JTFDJASHPGESKU-UHFFFAOYSA-N	199.181	2.208	50	40	AEGB	
CC[C@@H](CCl)OCCCl	5468022	NKQDANWNIOOXHC-LURJTMIESA-N	171.067	2.259	50	40	AEGB	
O=C(CCl)c1cccnc1Cl	199753695	XAZSFSBECSEIFN-UHFFFAOYSA-N	190.029	2.157	50	40	AEGB	
ClCCN1CCCC[C@@H]1CCl	1665947	FSVDTNBPMLPMBN-MRVPVSSYSA-N	196.121	2.319	50	40	AEGB	
C=C(C)[C@H]1CC=C(C=O)CC1	1529473	RUMOYJJNUMEFDD-JTQLQIEISA-N	150.221	2.488	50	40	AEGB	in-man,metabolite
ClCc1cnoc1C1CC1	82164560	JDCYMHYHBMNBAO-UHFFFAOYSA-N	157.600	2.291	50	40	AEGB	in-vitro
N#CC(C#N)=CNc1ccc(F)cc1	2168630	GGDDRIKHWMGNAO-UHFFFAOYSA-N	187.177	2.169	50	40	AEGB	
CN(C)C(=O)[C@@H](Cl)c1ccccc1	4207056	SQBWHYPWUXGGKX-VIFPVBQESA-N	197.665	2.055	50	40	AEGB	
N#C/C(=C\O)c1cccc(F)c1	101388809	FQWVCVBVBQEKNW-SOFGYWHQSA-N	163.151	2.248	50	40	AEGB	
CC(C)(O)/C=C\O[Si](C)(C)C	205084960	FZLVGRFAVVVRGW-SREVYHEPSA-N	174.316	2.123	50	40	AEGB	
ClCc1nnc(C2CC2)s1	2511420	VDUGMUQOYNINHU-UHFFFAOYSA-N	174.656	2.154	50	40	AEGB	
N#CC1=C2CCCCC[C@@H]2SC1=O	6021939	WHGOXICWZFVGBB-VIFPVBQESA-N	193.271	2.413	50	40	AEGB	
ClC[C@@H]1CO[C@H](c2ccccc2)O1	530290	NPLBOQRGKONXBX-ZJUUUORDSA-N	198.649	2.339	50	40	AEGB	
C[C@@H](Cl)C(=O)N(C)c1ccccc1	1564171	XDJABDKFGVGBAZ-MRVPVSSYSA-N	197.665	2.277	50	40	AEGB	
CC(=O)Nc1cccc(C(=O)Cl)c1	33432910	WPFGNWOTVRTHLR-UHFFFAOYSA-N	197.621	2.024	50	40	AEGB	
COCOCCCCCCCl	98174976	SIDIWXFDZWRPFB-UHFFFAOYSA-N	180.675	2.406	50	40	AEGB	
COC(=O)c1ccc([C@@H](C)Cl)o1	12480448	DDJKSSJENIXXPV-RXMQYKEDSA-N	188.610	2.366	50	40	AEGB	
Fc1ccn2cc(CCl)nc2c1	228982469	AWDMKKYJRXTBPD-UHFFFAOYSA-N	184.601	2.212	50	40	AEGB	
O=C1c2ccccc2C[C@H]1Cl	1995625	BZGQPEGJOZKLFK-MRVPVSSYSA-N	166.607	2.033	50	40	AEGB	in-vitro
Cc1ccnc(N=C=S)c1	11535835	RHIXRRXYFRTOFX-UHFFFAOYSA-N	150.206	2.124	50	40	AEGB	
CC1(C)C[C@H](Br)CCO1	69893881	NIUKLEOPCNIFFU-ZCFIWIBFSA-N	193.084	2.339	50	40	AEGB	in-vitro
ClCn1ncc2ccccc21	82189666	OPHWLMJLUJGBIG-UHFFFAOYSA-N	166.611	2.233	50	40	AEGB	
Cc1cc(C=C(C#N)C#N)cc(C)c1O	6069978	OEDSJMUPYHBZAL-UHFFFAOYSA-N	198.225	2.440	50	40	AEGB	
S=C=N[C@@H]1C[C@H]2C=C[C@H]1C2	100433397	NQXLBONFJOFNHD-BIIVOSGPSA-N	151.234	2.054	50	40	AEGB	
CC(C)=NNC(=O)Nc1ccccc1	485358	MUBXNIUEXMLKDP-UHFFFAOYSA-N	191.234	2.204	50	40	AEGB	
ClCc1ncn2ccccc12	225744929	MIJZQUQCTTWVRT-UHFFFAOYSA-N	166.611	2.073	50	40	AEGB	
CN(CCCl)c1ccccc1	1685309	KYTLVUBCXILIQO-UHFFFAOYSA-N	169.655	2.362	50	40	AEGB	
O=C(O)[C@@H](Cl)[C@H]1C[C@H]2CC[C@@H]1C2	4787654	ZPMDCMFQFOOYLS-YWIQKCBGSA-N	188.654	2.115	50	40	AEGB	
O=C(CCl)c1ccc(Cl)nc1	34480182	PALWQAXUGVUEIR-UHFFFAOYSA-N	190.029	2.157	50	40	AEGB	
COc1cc(CCl)c(Cl)cn1	161375137	IXPLDNHDSXMVBA-UHFFFAOYSA-N	192.045	2.482	50	40	AEGB	
C/C(CC1CCCCC1)=N/NC(N)=O	17289843	RTIHFFSPFZDYFA-WQLSENKSSA-N	197.282	2.001	50	40	AEGB	
Cc1cc(CCl)cc(C)n1	34099741	HHJGMXMMZDNOOO-UHFFFAOYSA-N	155.628	2.437	50	40	AEGB	in-vitro
N#CC1=Cc2ccccc21	39434814	HZTDUTYUVZYCSB-UHFFFAOYSA-N	127.146	2.064	50	40	AEGB	
OC[C@H](CCl)c1ccccc1	2043371	CBJCOUAIXAWRQN-VIFPVBQESA-N	170.639	2.001	50	40	AEGB	
N#C/C(=C\C=C\c1ccccc1)C(=O)O	16980006	UBDXZYYYWGIRGN-VCABWLAWSA-N	199.209	2.234	50	40	AEGB	
CCCCOCCBr	2584458	WOLUYEFMPZAHNN-UHFFFAOYSA-N	181.073	2.198	50	40	AEGB	in-vitro
Cl[C@H]1CCN[C@@H]2CCCC[C@@H]12	13424559	ZWRZSBDOSLQQRX-XHNCKOQMSA-N	173.687	2.146	50	40	AEGB	
CN(C)c1cccc(C(=O)CCl)c1	39055217	YQJLVWBAPWTMOU-UHFFFAOYSA-N	197.665	2.174	50	40	AEGB	
O=C=NCc1ccc(Cl)s1	70600885	ODROEJYBUKKTJU-UHFFFAOYSA-N	173.624	2.237	50	40	AEGB	in-vitro
C/C(C=O)=C\c1cccc(C)c1O	218716868	KRTKFTQGZBGYLL-SOFGYWHQSA-N	176.215	2.303	50	40	AEGB	
O=C1[C@@H]2C[C@H]3C[C@@H]1C[C@@H](C3)[C@@H]2Cl	104265746	VWRCUEUBWJRNRQ-OKNNCHMLSA-N	184.666	2.229	50	40	AEGB	
ClCc1noc2c1CCCC2	60279963	QRQOSUJXGZTPKV-UHFFFAOYSA-N	171.627	2.292	50	40	AEGB	in-vitro
C[C@@H](CCl)CC(=O)Cl	96024963	WPJSMHMSPFVCED-SCSAIBSYSA-N	155.024	2.017	50	40	AEGB	
CCCn1ccc(CCl)n1	96509691	NUWVUPMTMSOMQG-UHFFFAOYSA-N	158.632	2.032	50	40	AEGB	
C/C(C=O)=C\[C@H]1CC=CCC1	8614685	ODNDASWPVKXVPJ-PCYYEKQGSA-N	150.221	2.488	50	40	AEGB	
CC(C)C1=NO[C@@H](CCl)C1	68592372	JUEOUVWZYGDSDP-ZCFIWIBFSA-N	161.632	2.026	50	40	AEGB	in-vitro
O=N[C@@H]1CCC[C@@H](Cl)C1	5085184	KLHZIAQFHXOEOB-PHDIDXHHSA-N	147.605	2.303	50	40	AEGB	
ClC1[C@H]2C=CC3C=C[C@@H]1[C@@H]32	102263295	FWAUCCPFOJNTNU-ROSHRQPXSA-N	152.624	2.212	50	40	AEGB	
CC(C)C[C@@H](C)NC(=O)CCCl	2045063	PSTIZTYLQORTTK-MRVPVSSYSA-N	191.702	2.166	50	40	AEGB	
COc1ccccc1CSC#N	36533334	QIOOULAGUWBDJV-UHFFFAOYSA-N	179.244	2.409	50	40	AEGB	
O=[N+]([O-])CCCCCCCl	38218595	RDAHECSLWGOXFW-UHFFFAOYSA-N	165.620	2.062	50	40	AEGB	
CC[C@@]1(c2ccccc2)CC(=O)OO1	68571839	GBTDDJODXILPCM-NSHDSACASA-N	192.214	2.170	50	40	AEGB	
Cl[C@H]1CCC[C@H]1Cl	1591984	QPIRTTQWLDPXBN-SYDPRGILSA-N	139.025	2.385	50	40	AEGB	
C[C@H](Cl)C[C@@H]1[C@@H](CN)C1(C)C	13778253	SNLLQYROABBGMM-XLPZGREQSA-N	175.703	2.235	50	40	AEGB	
BrCCc1ccoc1	32302468	ORNSEMITWVIZSU-UHFFFAOYSA-N	175.025	2.217	50	40	AEGB	
S=C=Nc1ccc(Cl)nc1	57218454	APGZUQNKMJHXSH-UHFFFAOYSA-N	170.624	2.469	50	40	AEGB	in-vitro
CC1(C)[C@@H]2CC[C@](C)(C2)[C@]1(O)C#N	102901126	BTQHVUOBALCHNI-IEBDPFPHSA-N	179.263	2.087	50	40	AEGB	
CCOC(=O)N(N=O)c1ccccc1	4429442	SOCICUCJTHKVFE-UHFFFAOYSA-N	194.190	2.331	50	40	AEGB	
O=C(Cl)c1c(O)cc(F)cc1F	199743040	GKTHGLSPQJIBQO-UHFFFAOYSA-N	192.548	2.049	50	40	AEGB	
CCOC(=O)/C(C#N)=C\C(CC)CC	1713993	YWRCYDDWFBHUGD-YFHOEESVSA-N	195.262	2.436	50	40	AEGB	
O=C(Cl)c1ncoc1-c1ccco1	16124698	SZCDTFDPOACHRV-UHFFFAOYSA-N	197.577	2.314	50	40	AEGB	
C=C(C)CN(CC)C(=O)[C@@H](C)Cl	19488820	MXCLKCZZDWCTNJ-MRVPVSSYSA-N	189.686	2.038	50	40	AEGB	in-vitro
FC(F)(F)c1cc(CCl)n[nH]1	72226085	VIHATCLLOKCEJB-UHFFFAOYSA-N	184.548	2.167	50	40	AEGB	in-vitro
O=C(Cl)N1CCc2ccccc2C1	39057038	ICQJONGSPSQPOH-UHFFFAOYSA-N	195.649	2.404	50	40	AEGB	
[C-]#[N+]CCc1cccc(OC)c1	95697958	RDJGHRDVQBMGKW-UHFFFAOYSA-N	161.204	2.157	50	40	AEGB	
C[C@@H]1CC(CC(=O)Cl)C[C@@H](C)O1	98213511	JITCFJUSEZFLTL-RNFRBKRXSA-N	190.670	2.346	50	40	AEGB	
CCCc1noc([C@H](C)Cl)n1	12760976	KZHHANWXUVKDMY-YFKPBYRVSA-N	174.631	2.322	50	40	AEGB	in-vitro
BrC1[C@@H]2C=C[C@@H]1CC2	100083565	XFPAUZYYSFLZRD-PHDIDXHHSA-N	173.053	2.346	50	40	AEGB	
N#C[C@H](O)c1ccc(Cl)c(F)c1	100912152	MNTXDZOBHRGASJ-QMMMGPOBSA-N	185.585	2.036	50	40	AEGB	
COc1ccc(NC=C(C#N)C#N)cc1	493039	YLVIDHJDOIMZAC-UHFFFAOYSA-N	199.213	2.038	50	40	AEGB	
COc1cc(C)ccc1C(=O)Cl	20154478	ZXHHHBPLVWGPPX-UHFFFAOYSA-N	184.622	2.383	50	40	AEGB	
COc1ccc(/C=C(/C)C=O)cc1	1589933	BNBBFUJNMYQYLA-CLFYSBASSA-N	176.215	2.297	50	40	AEGB	
CCOC1=C(C#N)C(=O)CC(C)(C)C1	72417170	UMNUIBXYAXXXGG-UHFFFAOYSA-N	193.246	2.190	50	40	AEGB	
C/C(O)=C(\C#N)c1nc2ccccc2[nH]1	100174468	SZBFQHSARXPZMF-FPLPWBNLSA-N	199.213	2.375	50	40	AEGB	
C[C@@H](Cl)C[C@@H]1[C@@H](CN)C1(C)C	5721052	SNLLQYROABBGMM-BWZBUEFSSA-N	175.703	2.235	50	40	AEGB	
OC12CCC(CC1)C[C@@H]2CCl	162279	PLBLHPHPJFKRDL-QJAFJHJLSA-N	174.671	2.166	50	40	AEGB	
Cc1cccc(C(=O)OCCCl)c1	1768442	AQYGUKUFDLTLIX-UHFFFAOYSA-N	198.649	2.391	50	40	AEGB	
N#CC1=CCCCCC1	4530421	HUPRCTTYIILOTI-UHFFFAOYSA-N	121.183	2.400	50	40	AEGB	
CN(C)C(=O)[C@H](Cl)c1ccccc1	4207054	SQBWHYPWUXGGKX-SECBINFHSA-N	197.665	2.055	50	40	AEGB	
C[C@@](O)(CCl)c1ccccc1	16982973	VXCZNXLMLBRERI-SECBINFHSA-N	170.639	2.133	50	40	AEGB	
Cc1ccccc1CC(=O)CCl	19510711	WLVGLKYQYWYFDX-UHFFFAOYSA-N	182.650	2.345	50	40	AEGB	
[C-]#[N+]CCc1ccccc1F	95698089	SUKNCHUYYFFYEV-UHFFFAOYSA-N	149.168	2.287	50	40	AEGB	
ClC[C@@H]1CO[C@@H](c2ccccc2)O1	530291	NPLBOQRGKONXBX-NXEZZACHSA-N	198.649	2.339	50	40	AEGB	
COC(=O)/C(C#N)=C(/C)CC(C)C	17162140	JHXKUBARLVSKTG-HJWRWDBZSA-N	181.235	2.046	50	40	AEGB	
S=c1ccc(CCl)c[nH]1	72225845	ZRSNTFJWGZCOPW-UHFFFAOYSA-N	159.641	2.483	50	40	AEGB	
BrCCc1ccco1	34589239	GHXHSSXMCLDXLI-UHFFFAOYSA-N	175.025	2.217	50	40	AEGB	
ClCc1cnnn1-c1ccccc1	70460879	FUKRXVPJMZOXTL-UHFFFAOYSA-N	193.637	2.006	50	40	AEGB	
Cc1ccc(OC(=O)CCl)cc1	1586473	WRHZVNFCHZZJNU-UHFFFAOYSA-N	184.622	2.139	50	40	AEGB	
N#C/C=C\c1ccc(C#N)cc1	12417650	GUYNBGVJDVSEGA-UPHRSURJSA-N	154.172	2.095	50	40	AEGB	
COC(=O)CCCCCCCl	32175550	YKSFGXAJDCLJKE-UHFFFAOYSA-N	178.659	2.349	50	40	AEGB	
Oc1ccc(OCCCl)cc1	34092230	YMIYHUNATGXCNV-UHFFFAOYSA-N	172.611	2.010	50	40	AEGB	
CCCC(=S)Cl	66348381	NSXKVMCVAPWBAV-UHFFFAOYSA-N	122.620	2.353	50	40	AEGB	
CC1(C)C[C@@H](Br)CCO1	69893883	NIUKLEOPCNIFFU-LURJTMIESA-N	193.084	2.339	50	40	AEGB	in-vitro
FC(F)(F)c1cnc(CCl)nc1	95757117	AJJWNDAFOZNMMS-UHFFFAOYSA-N	196.559	2.234	50	40	AEGB	
N#CC1=CCN(Cc2ccccc2)CC1	83282741	WXEFCWCPTMOIAH-UHFFFAOYSA-N	198.269	2.342	50	40	AEGB	
CC(C)(C)C[C@H]1O[C@H]1CSC#N	1690634	FMKNLHJDTBHWOA-SFYZADRCSA-N	185.292	2.404	50	40	AEGB	
CCSSC	2581442	XLTBPTGNNLIKRW-UHFFFAOYSA-N	108.231	2.018	50	40	AEGB	endogenous,in-man
FC(F)(F)CCN=C=S	63100472	GCNSOMAONIEONU-UHFFFAOYSA-N	155.144	2.042	50	40	AEGB	
COC(=O)c1ccc([C@H](C)Cl)o1	12480453	DDJKSSJENIXXPV-YFKPBYRVSA-N	188.610	2.366	50	40	AEGB	
O=C=NC1(c2ccc(F)cc2)CC1	41199697	CHZKONJHSGAYCN-UHFFFAOYSA-N	177.178	2.151	50	40	AEGB	
ClCc1ccc2ncccc2n1	40434503	IUMKRHMYXLCSFG-UHFFFAOYSA-N	178.622	2.369	50	40	AEGB	
N#CC1=C[C@H]2C=C[C@@H]3C[C@H](Cl)[C@H]1[C@H]23	43762147	XPGDJEIYEMRTGD-YAOIVLIJSA-N	191.661	2.496	50	40	AEGB	
FC(F)(F)Cn1cc(CCl)cn1	54740370	MUMSZXKOXYYEGV-UHFFFAOYSA-N	198.575	2.184	50	40	AEGB	
CCC(CC)C(=O)OCCCl	1570866	WXKXCGZWOGICGW-UHFFFAOYSA-N	178.659	2.205	50	40	AEGB	
CC(C)c1cc(CCl)n(C)n1	72209564	BTIGIXCYBYQCAS-UHFFFAOYSA-N	172.659	2.282	50	40	AEGB	
Cc1ccc(/C=C(/C#N)[N+](=O)[O-])cc1	5539519	NNMNWFIHNFHLIG-POHAHGRESA-N	188.186	2.136	50	40	AEGB	
Oc1ccccc1CBr	34102106	BRKGKBKFUATGIX-UHFFFAOYSA-N	187.036	2.287	50	40	AEGB	
C[C@](O)(CCl)c1ccccc1	1656329	VXCZNXLMLBRERI-VIFPVBQESA-N	170.639	2.133	50	40	AEGB	
C[C@@H]1CCCCCN1CCCl	4783495	GOORBEFYBOBUCZ-SECBINFHSA-N	175.703	2.490	50	40	AEGB	
C/C(C=O)=C\[C@@H]1CC=CCC1	8614686	ODNDASWPVKXVPJ-TTZKWOQHSA-N	150.221	2.488	50	40	AEGB	
CCCCO[C@H](C)OCCCl	37633649	ITHTZSYCTIYGMN-QMMMGPOBSA-N	180.675	2.405	50	40	AEGB	
S=C=Nc1cccnc1Cl	39319751	JEFYJJWYKOFTHN-UHFFFAOYSA-N	170.624	2.469	50	40	AEGB	in-vitro
CCOC(=O)/C(C#N)=C(/C)CC(C)C	17423993	NHEROOPJNHZIMY-KTKRTIGZSA-N	195.262	2.436	50	40	AEGB	
CCOc1cc(CCl)ccn1	40886182	QUJYPHHMLPJQFU-UHFFFAOYSA-N	171.627	2.219	50	40	AEGB	
ClCCc1ccc2nc[nH]c2c1	88189297	ATTDEPYMMZSIKD-UHFFFAOYSA-N	180.638	2.344	50	40	AEGB	
C[P@@](=O)(Cl)CCl	100013400	ZDXUZZVQABKQKW-LURJTMIESA-N	146.941	2.329	50	40	AEGB	
CC(C)=NNC(=O)c1ccc(C)cc1	5543596	RIKCKVYRYVFUIP-UHFFFAOYSA-N	190.246	2.121	50	40	AEGB	
O=C(Cl)[C@H]1CCc2ccccc2O1	33378656	UXOHRZNOVPCNMD-SECBINFHSA-N	196.633	2.146	50	40	AEGB	
O=C(CCl)c1ccccc1F	34542178	XIRBMNOJVJCHTR-UHFFFAOYSA-N	172.586	2.247	50	40	AEGB	in-vitro
ClCc1nncn1C1CCCC1	96517068	LUCBHHCBMKBGQP-UHFFFAOYSA-N	185.658	2.132	50	40	AEGB	
O[C@H]1C[C@H]2c3ccccc3[C@H]1[C@@H]2Cl	104105556	MMILRRKRQKGFRN-UKKRHICBSA-N	194.661	2.239	50	40	AEGB	
ClCCN1C[C@@H]2[C@@H]3CC[C@H](C3)[C@H]2C1	104372606	YIOQLFHUWMVYAB-GWOFURMSSA-N	199.725	2.203	50	40	AEGB	
CC1(C)C[C@@H](N=C=S)CCO1	4833203	WQUAVNROUQFNAD-ZETCQYMHSA-N	171.265	2.047	50	40	AEGB	
Cc1nnc(Cl)c(CCl)c1C	98177901	LTZVGQKKMUJHKY-UHFFFAOYSA-N	191.061	2.486	50	40	AEGB	in-vitro
Cl[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1Cl	104105481	ZFSMTYOLNXPHEU-RNGGSSJXSA-N	163.047	2.407	50	40	AEGB	
ClCc1cnccc1Cl	2523014	RBIUZMSYTBBHEJ-UHFFFAOYSA-N	162.019	2.474	50	40	AEGB	in-vitro
CCC/C(C)=C(/C#N)C(=O)OCC	17162143	WSQKZATUBMGUQX-HJWRWDBZSA-N	181.235	2.190	50	40	AEGB	
Cc1noc(CCl)c1Cl	39113247	GMEOGOUWHWPXRF-UHFFFAOYSA-N	166.007	2.375	50	40	AEGB	
ClCCCCCn1cccn1	34440593	ZYERGRHOKRPUJQ-UHFFFAOYSA-N	172.659	2.292	50	40	AEGB	in-vitro
N#CC1=CC2CCC1CC2	1603943	ZTMRDYCYTDGUEY-UHFFFAOYSA-N	133.194	2.256	50	40	AEGB	
O=C1[C@H]2C[C@H]3C[C@@H]1[C@@H](Cl)[C@@H](C2)C3	4831725	VWRCUEUBWJRNRQ-ULHDWMFZSA-N	184.666	2.229	50	40	AEGB	
CCCCNCCCCCl	5951813	OJSIOQAGNZHDCS-UHFFFAOYSA-N	163.692	2.395	50	40	AEGB	
O=CC=Cc1c(F)cccc1F	1857775745	ABQCTYYKKNJKPK-UHFFFAOYSA-N	168.142	2.177	50	40	AEGB	
N#CC(C#N)=C1CCc2ccccc2N1	4321458	MHMXMVHNNBHANO-UHFFFAOYSA-N	195.225	2.346	50	40	AEGB	
ClCc1cccn2ccnc12	80441439	QKWWHWXIZVRRNK-UHFFFAOYSA-N	166.611	2.073	50	40	AEGB	
O=[S@@](CCCl)c1ccccc1	4771433	XNUCQTSEDXYZCQ-LLVKDONJSA-N	188.679	2.033	50	40	AEGB	in-vitro
F[C@@H]1[C@@H](Cl)C(F)(F)C1(F)F	80440260	TUQAWSUXFUXTIQ-JCYAYHJZSA-N	180.503	2.216	50	40	AEGB	in-vitro
CCCc1noc([C@@H](C)Cl)n1	12760971	KZHHANWXUVKDMY-RXMQYKEDSA-N	174.631	2.322	50	40	AEGB	in-vitro
CC1(CBr)CCOCC1	83137902	CHVXBTYXHHPSCW-UHFFFAOYSA-N	193.084	2.198	50	40	AEGB	in-vitro
Cn1ccc2cc(CCl)cnc21	238551498	YHYDBRAPCBVNQR-UHFFFAOYSA-N	180.638	2.312	50	40	AEGB	
C[C@H](Cl)C[C@H]1[C@H](CN)C1(C)C	4863189	SNLLQYROABBGMM-FXQIFTODSA-N	175.703	2.235	50	40	AEGB	
ClC/C=C\CO[C@H]1CCCCO1	8655254	MEQZNJKQSDWFHR-MDHMXLOGSA-N	190.670	2.325	50	40	AEGB	
ClCC1CCC2(CC1)OCCO2	113001506	ZKOYGIDFPUKALU-UHFFFAOYSA-N	190.670	2.159	50	40	AEGB	
C=C(C#N)c1ccccc1	32153666	RLFXJQPKMZNLMP-UHFFFAOYSA-N	129.162	2.223	50	40	AEGB	
ClCc1cccc(-c2ncon2)c1	1582935363	VTBJYWJYVWCADA-UHFFFAOYSA-N	194.621	2.475	50	40	AEGB	
ClCC[n+]1ccc2ccccc2c1	1718819	GSQYXOWUCIAQCR-UHFFFAOYSA-N	192.669	2.366	50	40	AEGB	
COc1cccc(CCC(=O)Cl)c1	39250167	YIBRVNQKMYAOIL-UHFFFAOYSA-N	198.649	2.393	50	40	AEGB	in-vitro
O=C1c2ccccc2C[C@@H]1Cl	1995626	BZGQPEGJOZKLFK-QMMMGPOBSA-N	166.607	2.033	50	40	AEGB	in-vitro
N#C/C=C\c1ccc(F)cc1	5722940	WVWTVBZOOBKCKI-UPHRSURJSA-N	147.152	2.362	50	40	AEGB	
Cc1nc(CCl)ccc1F	95768611	DCFWMXRLELAHFC-UHFFFAOYSA-N	159.591	2.268	50	40	AEGB	
COc1ccc(/C=C\C#N)cc1	5662792	CNBCNHHPIBKYBO-IHWYPQMZSA-N	159.188	2.232	50	40	AEGB	
Cc1nc(CCl)nc(Cl)c1C	62701734	PNFBKTJAUJIGDZ-UHFFFAOYSA-N	191.061	2.486	50	40	AEGB	
C/C=C/C=C/COC(=O)[C@@H](C)Cl	5566326	ARYKFJXGHJRCRH-IUNRWVRJSA-N	188.654	2.289	50	40	AEGB	
C[C@@H](C#N)SCCCCl	85221572	KDICWRIDCSAFHG-LURJTMIESA-N	163.673	2.261	50	40	AEGB	
C[C@H]1CCC/C(=C(\C#N)C(N)=S)C1	3269597	LWGDQDIUKYCWCL-RDONPILCSA-N	194.303	2.303	50	40	AEGB	
C#CCOc1ccc(/C=C/C#N)cc1	33692482	XBUBXYCBWQWTPV-ONEGZZNKSA-N	183.210	2.235	50	40	AEGB	
O=C(CCl)c1c[nH]c(C(F)F)c1	575629440	XCNSRTLBOWPJJU-UHFFFAOYSA-N	193.580	2.374	50	40	AEGB	
O=C1O[C@H](Cl)C=C1c1ccccc1	1565427	LVNAJBMTQXZMGT-VIFPVBQESA-N	194.617	2.192	50	40	AEGB	
C[C@@H]1CCC(Cl)=C(C=O)C1	36928096	BQZCWZXFUYRYOO-ZCFIWIBFSA-N	158.628	2.498	50	40	AEGB	
N#CC(C#N)=C1Cc2ccccc2C1	1614838	DNONJLXXOZWTCK-UHFFFAOYSA-N	180.210	2.129	50	40	AEGB	
O[C@@H](CCl)C1CCCCC1	96373338	AGWIKTWYCHQYTC-QMMMGPOBSA-N	162.660	2.166	50	40	AEGB	
C[C@@H](SC#N)C(=O)c1ccccc1	139086723	MMLHCZBXGMTTPP-MRVPVSSYSA-N	191.255	2.472	50	40	AEGB	
C[C@@H]1CCC/C(=C(\C#N)C(N)=S)C1	3269600	LWGDQDIUKYCWCL-HPWUZBQLSA-N	194.303	2.303	50	40	AEGB	
CCCCCCC[C@@H]1CC(=O)OC1=O	104257342	HKWPWGJLSWDDEC-SECBINFHSA-N	198.262	2.437	50	40	AEGB	
FC(F)(F)CCBr	2584273	SAUGMJLWYLQPEM-UHFFFAOYSA-N	176.963	2.334	50	40	AEGB	
Cc1ccsc1/C=C(/C#N)C(=O)O	16363131	PWDTTYGFHUKQHP-DAXSKMNVSA-N	193.227	2.048	50	40	AEGB	
O=C(CCl)Cc1ccccc1	1670907	NIOHSOXYJMSVOA-UHFFFAOYSA-N	168.623	2.037	50	40	AEGB	in-vitro
CC(C)NCC[C@@H](C)Cl	5732680	SCCJPBKKDCRDFZ-SSDOTTSWSA-N	149.665	2.002	50	40	AEGB	
COc1ccc(C(=O)Cl)cc1C	39056719	RTKSHBXMWCKUDQ-UHFFFAOYSA-N	184.622	2.383	50	40	AEGB	
CC(Br)Br	59697701	APQIUTYORBAGEZ-UHFFFAOYSA-N	187.862	2.122	50	40	AEGB	in-vitro
CC(C)C1=NO[C@H](CCl)C1	68592368	JUEOUVWZYGDSDP-LURJTMIESA-N	161.632	2.026	50	40	AEGB	in-vitro
Cc1ccc2ncc(CCl)n2c1	12546267	ZIDGMPUJFFOTDJ-UHFFFAOYSA-N	180.638	2.382	50	40	AEGB	
CCCCc1nc(CCl)no1	26515920	QMJCZRZSENJKDN-UHFFFAOYSA-N	174.631	2.151	50	40	AEGB	in-vitro
C/C=C(\F)CBr	95611791	FTESGJXMIITOFP-RQOWECAXSA-N	152.994	2.255	50	40	AEGB	
CC(C)CCOCCCl	34959720	XIRZIFKLTQCIEC-UHFFFAOYSA-N	150.649	2.288	50	40	AEGB	in-vitro
CC(C)(C)CC(=O)CBr	1648394	BHNFDOWGCDXOOK-UHFFFAOYSA-N	193.084	2.387	50	40	AEGB	
O=C(Cl)c1cc(Cl)ccc1O	20248548	NANJQJRZYOVMLF-UHFFFAOYSA-N	191.013	2.425	50	40	AEGB	
CCCN(CCC)C(=O)Cl	33506076	OWRABTHGOKNUDV-UHFFFAOYSA-N	163.648	2.467	50	40	AEGB	
COc1cccc(CSC#N)c1	36533336	BAWQGDICORFTBO-UHFFFAOYSA-N	179.244	2.409	50	40	AEGB	
S=C=Nc1ccc2[nH]ncc2c1	202455790	QNRJLFQALMFFLP-UHFFFAOYSA-N	175.216	2.297	50	40	AEGB	
O=C(/C=C\c1ccccc1)N=C=S	33378876	MIQIHUSOWHSPPO-SREVYHEPSA-N	189.239	2.329	50	40	AEGB	
CC/C(C)=N/NC(=O)c1ccoc1C	79744	ZHABUXCFNMXTQO-YRNVUSSQSA-N	194.234	2.104	50	40	AEGB	
ClCc1cc(C2CC2)n[nH]1	84122175	VKRFDEHSDRZZAZ-UHFFFAOYSA-N	156.616	2.026	50	40	AEGB	
COc1cc(C(=O)Cl)ccc1F	16159642	HUDODYDNQSSLJM-UHFFFAOYSA-N	188.585	2.213	50	40	AEGB	
C[C@@H]1CCCCN1C(=O)Cl	39056183	QMIKDOBDKNYLGB-ZCFIWIBFSA-N	161.632	2.220	50	40	AEGB	in-vitro
O=C(Cl)c1ccc(Cl)cn1	39056546	JRIASDXJZYOBCA-UHFFFAOYSA-N	176.002	2.114	50	40	AEGB	in-vitro
F[C@@H](Cl)C(F)(F)OCCCl	2530678	AJZSRFYSFRHFDZ-GSVOUGTGSA-N	196.983	2.369	50	40	AEGB	
COC1(CBr)CCCC1	50479701	YDKLSRNFHLKIAA-UHFFFAOYSA-N	193.084	2.341	50	40	AEGB	in-vitro
N#C[C@H](Cl)c1ccc([N+](=O)[O-])cc1	95094231	FTHIKQGOLDFEOM-QMMMGPOBSA-N	196.593	2.398	50	40	AEGB	
FC(F)(F)c1ccn(CCl)n1	2536490	UFHFXOMRNRLMRR-UHFFFAOYSA-N	184.548	2.098	50	40	AEGB	
O=C(Cl)c1cccc2nsnc12	2548357	AZKMNSWHLNANDM-UHFFFAOYSA-N	198.634	2.070	50	40	AEGB	
C[C@H](C#N)SCCCCl	85221574	KDICWRIDCSAFHG-ZCFIWIBFSA-N	163.673	2.261	50	40	AEGB	
N#C/C=C\C1CCCC1	77027049	VMELXYJYSXXORF-UTCJRWHESA-N	121.183	2.256	50	40	AEGB	
S=C=N[C@H]1C[C@@H]2CC[C@@H]1C2	100014902	RBGDFYZLQKZUCO-PRJMDXOYSA-N	153.250	2.278	50	40	AEGB	
CC(C)=NNC(=O)c1ccccc1C	5620211	DRPOFYXOXHRCQN-UHFFFAOYSA-N	190.246	2.121	50	40	AEGB	
CC(C)C[C@H](Br)C#N	116317979	GPNVFADTULBZGG-LURJTMIESA-N	176.057	2.320	50	40	AEGB	
BrCCOC1CCCC1	19420801	QRVITJYOUROISY-UHFFFAOYSA-N	193.084	2.341	50	40	AEGB	in-vitro
CNc1cc(C)c(CCl)cn1	72223047	XASSDYWWZUINPF-UHFFFAOYSA-N	170.643	2.171	50	40	AEGB	
CCCCCCCC/C=N\NC(N)=O	104261636	HFQJHSDJEDVMNP-XFXZXTDPSA-N	199.298	2.391	50	40	AEGB	
Cl/C=C/CBr	2038448	AHUWMUAVZFJTOC-HNQUOIGGSA-N	155.422	2.134	50	40	AEGB	in-vitro
CC[C@H](CCl)[n+]1ccccc1	5468891	PQTUCEWIMJFTDH-SECBINFHSA-N	170.663	2.164	50	40	AEGB	
ClCCN1CCCC[C@H]1CCl	4777532	FSVDTNBPMLPMBN-QMMMGPOBSA-N	196.121	2.319	50	40	AEGB	
Oc1ccc(NCCCCl)cc1	58840704	UBSJCKZAMHOYCX-UHFFFAOYSA-N	185.654	2.433	50	40	AEGB	
CCCC/C=C\C(=O)Cl	33369422	REDBNPUNYZYECN-WAYWQWQTSA-N	146.617	2.498	50	40	AEGB	
Cl[C@@H]1OCCC1(Cl)Cl	4262190	OPMAAFQNIDDDAS-GSVOUGTGSA-N	175.442	2.146	50	40	AEGB	
CC(C)CCOC(=O)CCCl	5759074	ZFNWFRKLGAIOME-UHFFFAOYSA-N	178.659	2.205	50	40	AEGB	
CCO/N=C(\C)[C@H](C)SC#N	8637765	MICHMMBWUVHBDP-QCCBYXMRSA-N	172.253	2.002	50	40	AEGB	
CCc1nc(Cl)cc(CCl)n1	26510538	IFPNQTDNYGOIAK-UHFFFAOYSA-N	191.061	2.431	50	40	AEGB	
N#C/C(=C\O)c1nc2ccccc2o1	100930398	ZEANXDGLDCVALV-VOTSOKGWSA-N	186.170	2.250	50	40	AEGB	
CN(C)c1ccc(C(=O)CCl)cc1	5140550	ONHGPIBFTKDBHT-UHFFFAOYSA-N	197.665	2.174	50	40	AEGB	
CCC(CC)C(=O)NCCCCl	6309429	ANOCSBSJIRPSCQ-UHFFFAOYSA-N	191.702	2.168	50	40	AEGB	
O/N=C1\[C@H]2C[C@H]([C@H]1Cl)[C@@H]1CC=C[C@H]21	104385308	XWOWVYPUZLZOMQ-AQTSDMRPSA-N	197.665	2.266	50	40	AEGB	
Cc1nc([C@@H](Cl)C#N)cs1	126778684	VEZWLWFVQHHLSS-YFKPBYRVSA-N	172.640	2.255	50	40	AEGB	
C/C(=C(\C#N)C(=O)O)c1ccccc1	1670909	LEHQQGAGTSMDKO-NTMALXAHSA-N	187.198	2.068	50	40	AEGB	
O=C(Cl)C1=Cc2ccccc2OC1	2506145	RTKZPVOAMHWVCN-UHFFFAOYSA-N	194.617	2.228	50	40	AEGB	
O=C(Cl)c1ccccc1S	59977743	MPBBURGBZGXNAF-UHFFFAOYSA-N	172.636	2.354	50	40	AEGB	
Cc1csc(C(=O)CCl)c1	13528252	DTVJTKCODIMAPK-UHFFFAOYSA-N	174.652	2.478	50	40	AEGB	
ClCCN1C[C@H]2CCCC[C@@H]2C1	1682057	PNSLIXYBEOQZMG-NXEZZACHSA-N	187.714	2.347	50	40	AEGB	
O=C(Cl)c1ccc2c(c1)CCCO2	34936255	DKSNWGZAMLPCLZ-UHFFFAOYSA-N	196.633	2.391	50	40	AEGB	in-vitro
C/C(CC1CCCCC1)=N\NC(N)=O	4777526	RTIHFFSPFZDYFA-XYOKQWHBSA-N	197.282	2.001	50	40	AEGB	
C[C@H](Cl)C[C@H]1[C@@H](CN)C1(C)C	13778256	SNLLQYROABBGMM-BIIVOSGPSA-N	175.703	2.235	50	40	AEGB	
N#CC1=CC[C@@H]2CC[C@@H]1C2	100436939	VYGLDVIPEABEQL-JGVFFNPUSA-N	133.194	2.256	50	40	AEGB	
Cc1ccc(N=C=O)c(Cl)n1	242688160	VHODCSOIINRXHN-UHFFFAOYSA-N	168.583	2.011	50	40	AEGB	
CN(C)c1ccc(CCl)cc1	20077976	CITRPMHCVVMQDU-UHFFFAOYSA-N	169.655	2.491	50	40	AEGB	in-vitro
C[C@@H]1CC[C@@H](Br)C(=O)C1	26507298	ZPYHMKMSTCGYAQ-PHDIDXHHSA-N	191.068	2.139	50	40	AEGB	
O=C/C=C/c1c[nH]c2ccccc12	39202760	XRNSYINJYVOSGG-ONEGZZNKSA-N	171.199	2.380	50	40	AEGB	
CC(C)(C)[Si](C)(C)OC[O]	1857778735	VPMQJZSPMLRSDC-UHFFFAOYSA-N	161.297	2.396	50	40	AEGB	
CC(C)(C)C[C@@H]1O[C@@H]1CSC#N	1690631	FMKNLHJDTBHWOA-JGVFFNPUSA-N	185.292	2.404	50	40	AEGB	
N#CC1=C2CCCC[C@H]2SC1=O	6317341	JODIJSTTYTWQMZ-MRVPVSSYSA-N	179.244	2.023	50	40	AEGB	
N#CC1=Cc2c(F)cccc2OC1	75882144	JXNYUJRJDNCUQH-UHFFFAOYSA-N	175.162	2.125	50	40	AEGB	
ClCCN1CCCCCCC1	1682051	ZZEPPWLXZLMJOL-UHFFFAOYSA-N	175.703	2.491	50	40	AEGB	
COc1ccccc1C(=O)CCl	2644005	PFYXYWNUQMKTEO-UHFFFAOYSA-N	184.622	2.117	50	40	AEGB	
COc1ccc(/C=C\C#N)cc1OC	5959832	WGPTVEZJYRFEGT-ARJAWSKDSA-N	189.214	2.241	50	40	AEGB	
C[C@H](Br)C(F)(F)F	71606374	WJFIVNWCJZUQMI-REOHCLBHSA-N	176.963	2.332	50	40	AEGB	
FC(F)(F)c1cncc(CCl)n1	95761462	WAKVRKDWMHMRAE-UHFFFAOYSA-N	196.559	2.234	50	40	AEGB	
N#C/C(=C(/O)CCl)c1ccccn1	102968403	SFEDZDUNWGRYOS-CLFYSBASSA-N	194.621	2.113	50	40	AEGB	
COc1ccc(CCl)c(OC)c1	20077978	BQBRGOQCWAXXLR-UHFFFAOYSA-N	186.638	2.443	50	40	AEGB	
CC(C)(C)C(C)(C)NC(=O)CCl	225298141	IYMDSIIDDMEVOB-UHFFFAOYSA-N	191.702	2.166	50	40	AEGB	
O=C(Cl)c1ccc(O)cc1Cl	39056842	MIHHOHQSCFCNOJ-UHFFFAOYSA-N	191.013	2.425	50	40	AEGB	
COC(=O)[C@H](Cl)CC(C)(C)C	61839124	VAJZLHNGDFOSGE-ZCFIWIBFSA-N	178.659	2.203	50	40	AEGB	in-vitro
CC(C)C[C@@]1(C)OC[C@@H](CCl)O1	525117	QNIIELOLZIKGNW-BDAKNGLRSA-N	192.686	2.403	50	40	AEGB	in-vitro
O=C=Nc1nc(C2CC2)n2ccccc12	107465345	ZKJKCKWXJNDVKB-UHFFFAOYSA-N	199.213	2.179	50	40	AEGB	
O=P1(Cl)CCCC1	115250809	HSTMXYOTKHYYBO-UHFFFAOYSA-N	138.534	2.297	50	40	AEGB	
CC1=CC2=N[C@@H](Cl)C=CN2N=C1C	95863269	DWBPXRCWSQUCKU-MRVPVSSYSA-N	195.653	2.115	50	40	AEGB	
N#C/C(=C\O)c1ccccc1F	101375301	BQLUJKMPTGFUML-VOTSOKGWSA-N	163.151	2.248	50	40	AEGB	
C[C@H](Cl)C(=O)OC(C)(C)Cl	1597338	VVJJXXGBSRBMNL-BYPYZUCNSA-N	185.050	2.132	50	40	AEGB	
COc1ccccc1[C@H](Cl)C#N	44298529	OLDUYWOZQPNVEK-MRVPVSSYSA-N	181.622	2.499	50	40	AEGB	
Oc1ccc(NCCCl)cc1	58856653	DATJHFMEARFPDT-UHFFFAOYSA-N	171.627	2.043	50	40	AEGB	
CC[C@@H](C)c1nnc(CCl)o1	37510697	UBVAHPYTCFMQEY-RXMQYKEDSA-N	174.631	2.322	50	40	AEGB	
Cl[C@H]1CCC[C@@H]1Cl	1591986	QPIRTTQWLDPXBN-WHFBIAKZSA-N	139.025	2.385	50	40	AEGB	
O=C=N/C=C/c1ccc(F)c(F)c1	36377882	ZPHVQGIQJOEWJR-ONEGZZNKSA-N	181.141	2.271	50	40	AEGB	
Fc1ccc(C#CCCl)cc1	57840691	IBSVDPJVBSNJLT-UHFFFAOYSA-N	168.598	2.416	50	40	AEGB	
O[C@@H]1c2ccccc2CC[C@@H]1Cl	22002817	FDPHJPOUBLOBJZ-VHSXEESVSA-N	182.650	2.274	50	40	AEGB	
O=C(Cl)c1n[nH]c2ccc(F)cc12	89195898	NVRKZHGLCKIRHO-UHFFFAOYSA-N	198.584	2.081	50	40	AEGB	
COc1cccc2[nH]c(CCl)nc12	45238433	GIDJQLYMQRJVPA-UHFFFAOYSA-N	196.637	2.310	50	40	AEGB	
Cc1ncncc1[C@@H](C)Cl	54963488	ZMJJWLBRIWRDQJ-RXMQYKEDSA-N	156.616	2.085	50	40	AEGB	in-vitro
CC1CC(CN=C=S)C1	85392706	RCQJQEKEOBOPEH-UHFFFAOYSA-N	141.239	2.135	50	40	AEGB	
CCO[C@H](O[Si](C)(C)C)C(F)F	627281310	LXBNCRNAECNTAQ-SSDOTTSWSA-N	198.285	2.466	50	40	AEGB	
FC[C@H](Cl)C(F)(F)F	96342004	CNNJBYUJTYGLGG-REOHCLBHSA-N	150.502	2.126	50	40	AEGB	
Fc1ccnc(CBr)c1	95631027	QTIPYEPTPRTVBC-UHFFFAOYSA-N	190.015	2.116	50	40	AEGB	
CCCCCCC1CC(=O)OC(=O)C1	97951475	QGKQYMWNQKGRRO-UHFFFAOYSA-N	198.262	2.437	50	40	AEGB	
FC(F)(F)C(Cl)Cl	60040243	OHMHBGPWCHTMQE-UHFFFAOYSA-N	152.930	2.352	50	40	AEGB	
[C-]#[N+][C@@H]1CCCC[C@H]1C	60247616	PVTKDRMRAYXRAD-HTQZYQBOSA-N	123.199	2.484	50	40	AEGB	
S=C=Nc1cccc2cn[nH]c12	89200485	YODQDUPLMSZMRO-UHFFFAOYSA-N	175.216	2.297	50	40	AEGB	
FC(F)(F)[C@@H](Cl)CCl	2040781	QJMGASHUZRHZBT-REOHCLBHSA-N	166.957	2.395	50	40	AEGB	
[C-]#[N+][C@H]1CCCC[C@@H]1C	60247613	PVTKDRMRAYXRAD-YUMQZZPRSA-N	123.199	2.484	50	40	AEGB	
C[C@H](CCl)N1CCCCC1	6491764	NOCHJUCFKGEGQP-MRVPVSSYSA-N	161.676	2.100	50	40	AEGB	in-vitro
N#CSC1CCCC1	30714930	ZTZNTHBAUFZQGQ-UHFFFAOYSA-N	127.212	2.143	50	40	AEGB	in-vitro
C[C@H](CC(F)(F)F)C(=O)Cl	34467297	KJGTUKSHPIVAPB-GSVOUGTGSA-N	174.549	2.340	50	40	AEGB	in-vitro
C[C@H](CCl)CCC(=O)Cl	96033038	OFOCHMIQWVHCGE-YFKPBYRVSA-N	169.051	2.407	50	40	AEGB	
CNc1ccc(CCl)c(C)n1	72224089	DEKWVVWPFBLTKW-UHFFFAOYSA-N	170.643	2.171	50	40	AEGB	
O=C[C@H](Br)c1ccccc1	75601037	LOUZEJGRHQDABV-QMMMGPOBSA-N	199.047	2.322	50	40	AEGB	
F[C@@H](Cl)[C@]1(F)C=CC(F)(F)O1	68591022	WDJDFSMLOAZKIN-DMTCNVIQSA-N	190.523	2.366	50	40	AEGB	
O=C/C(=C\O)c1ccc(Cl)cc1	100071785	BPCQPZCKKNFWCF-VMPITWQZSA-N	182.606	2.438	50	40	AEGB	
CC(C)(CCl)OCCCl	5380162	WWLWXPXUHIZTCN-UHFFFAOYSA-N	171.067	2.259	50	40	AEGB	
CC(C)n1cncc1CCl	19090595	GLZSPWKWFJQNEW-UHFFFAOYSA-N	158.632	2.203	50	40	AEGB	in-vitro
CC1CC(CBr)C1	85393854	CQGSAQQXRNAGKV-UHFFFAOYSA-N	163.058	2.427	50	40	AEGB	
FC1(F)C[C@H](Cl)C1(F)F	2584283	JZTOHBFNNYFPIP-REOHCLBHSA-N	162.513	2.268	50	40	AEGB	
C[C@H](CCl)N1CCCCCC1	6491765	LJTIJCGVMMYVBR-SECBINFHSA-N	175.703	2.490	50	40	AEGB	
O=C(Cl)c1csc([N+](=O)[O-])c1	38803635	KXGBCXFSXKOCKE-UHFFFAOYSA-N	191.595	2.035	50	40	AEGB	
C[C@@H](Cl)C[C@H]1[C@H](CN)C1(C)C	4863190	SNLLQYROABBGMM-CSMHCCOUSA-N	175.703	2.235	50	40	AEGB	
CC(C)N(C=C(C#N)C#N)C(C)C	1674025	GZNBLQWWPVVOGL-UHFFFAOYSA-N	177.251	2.036	50	40	AEGB	
Fc1ccc(CNCCCl)cc1	1621653	UDZBETFZMZQPTP-UHFFFAOYSA-N	187.645	2.154	50	40	AEGB	
ClCCCCOCCl	1760993	VKRJVJZWDJDJBX-UHFFFAOYSA-N	157.040	2.218	50	40	AEGB	
COc1cccc(/C(C#N)=C/O)c1	100247513	CZLSAZFDZVXOHW-VQHVLOKHSA-N	175.187	2.118	50	40	AEGB	
S=C=N[C@@H]1C[C@H]2C=C[C@@H]1C2	160175	NQXLBONFJOFNHD-XLPZGREQSA-N	151.234	2.054	50	40	AEGB	
Cc1ccc(C)c(OCC(=O)Cl)c1	26470552	LMLBNAKYIAIQFT-UHFFFAOYSA-N	198.649	2.448	50	40	AEGB	in-vitro
O=C(CCl)CC1CCCC1	87224215	QJJUOIGZCUOOCE-UHFFFAOYSA-N	160.644	2.375	50	40	AEGB	
Cc1ccc(N=C=O)c(F)c1F	238515515	KJHUVCNIFSXRBH-UHFFFAOYSA-N	169.130	2.241	50	40	AEGB	
O=C(/C=C/c1ccccc1)N=C=S	164227	MIQIHUSOWHSPPO-VOTSOKGWSA-N	189.239	2.329	50	40	AEGB	in-vitro
C[C@H]1CCC(Cl)=C1C=O	75529760	UAMHQKRCORGDJJ-YFKPBYRVSA-N	144.601	2.108	50	40	AEGB	
CC1(C)C(C(=O)CCl)C1(C)C	87224419	XIGVVKNJOVSTBD-UHFFFAOYSA-N	174.671	2.477	50	40	AEGB	
O=C(Cl)c1ccc(Cl)c(O)c1	95804008	JGUAXWJWCRHVFX-UHFFFAOYSA-N	191.013	2.425	50	40	AEGB	
O=C(Cl)c1n[nH]c2c(F)cccc12	89196126	DFUFFXKEZUKNJF-UHFFFAOYSA-N	198.584	2.081	50	40	AEGB	
CCCCO[C@@H](C)OCCCl	37633647	ITHTZSYCTIYGMN-MRVPVSSYSA-N	180.675	2.405	50	40	AEGB	
C/C(O)=C(/C#N)c1ccccc1	100366889	QVEDJMVJNAFNEQ-CSKARUKUSA-N	159.188	2.499	50	40	AEGB	
N#CC(C#N)=C1SCCCS1	1558398	BUZGQJMXYBXGMF-UHFFFAOYSA-N	182.273	2.115	50	40	AEGB	
CC(C)(C)SSCCN	1579495	PZBCIVCCSHJBCT-UHFFFAOYSA-N	165.327	2.125	50	40	AEGB	
[C-]#[N+]Cc1ccc(C)o1	95686697	QNDRBEVVBOKQPX-UHFFFAOYSA-N	121.139	2.007	50	40	AEGB	
BrCc1ccsn1	39376436	FVJGRFFQOBEQSX-UHFFFAOYSA-N	178.054	2.038	50	40	AEGB	
COc1ccccc1/C=C\C(=O)Cl	45009308	FVKDKLWEAIAPHW-SREVYHEPSA-N	196.633	2.474	50	40	AEGB	
OC[C@@H](CCl)c1ccccc1	1670056	CBJCOUAIXAWRQN-SECBINFHSA-N	170.639	2.001	50	40	AEGB	
O=C(Cl)CCc1cccs1	2523075	CLTZBQKBUWLCHK-UHFFFAOYSA-N	174.652	2.446	50	40	AEGB	
CN(C)/C=C(\C#N)c1ccsc1	3209968	DQHNVBOGFFQQJQ-RMKNXTFCSA-N	178.260	2.174	50	40	AEGB	in-vitro
N#Cc1cccc(OCCCl)c1	34091338	IYWYLHUQGUIKHO-UHFFFAOYSA-N	181.622	2.176	50	40	AEGB	
CCOC(=N)CCCBr	71976819	ZXFCAMUNFWGPTR-UHFFFAOYSA-N	194.072	2.175	50	40	AEGB	
S=C=N[C@H]1C[C@H]2C=C[C@@H]1C2	2577795	NQXLBONFJOFNHD-RNJXMRFFSA-N	151.234	2.054	50	40	AEGB	
O=C/C=C/c1ccc(/C=C/C=O)cc1	39240900	QUHMSZGYDGEQFX-ZPUQHVIOSA-N	186.210	2.111	50	40	AEGB	
COc1ccnc(CCl)c1C	21982258	UIRCDHHEYPUZGA-UHFFFAOYSA-N	171.627	2.137	50	40	AEGB	in-vitro
O=C(Cl)Cc1cccc(F)c1F	75902422	PMRKUTYWOCHYCH-UHFFFAOYSA-N	190.576	2.273	50	40	AEGB	
CCN(CC)CC[C@@H](C)Cl	1646248	NNUHGJSXHBGPNM-MRVPVSSYSA-N	163.692	2.346	50	40	AEGB	
Cc1cccc(C(=O)Cl)c1[N+](=O)[O-]	1691988	YVHZCFAUJFDIJY-UHFFFAOYSA-N	199.593	2.282	50	40	AEGB	
FC(F)C(F)(F)COCCCl	36883191	VCYBXLXMUOYCIX-UHFFFAOYSA-N	194.555	2.142	50	40	AEGB	in-vitro
[C-]#[N+][C@@H]1CCCC[C@@H]1C	60247618	PVTKDRMRAYXRAD-JGVFFNPUSA-N	123.199	2.484	50	40	AEGB	
C[C@H](Cl)CN1CCCCC1	1700298	KFWCHHIRLGAWOS-QMMMGPOBSA-N	161.676	2.100	50	40	AEGB	
CN(C)c1ccc(CC(=O)Cl)cc1	34351625	WYAPRZSUIVGCAJ-UHFFFAOYSA-N	197.665	2.061	50	40	AEGB	
ClC/C=C/CO[C@@H]1CCCCO1	1613588	MEQZNJKQSDWFHR-HDMKULJXSA-N	190.670	2.325	50	40	AEGB	
Cc1cc(C(=O)Cl)n(C(C)C)n1	39056762	SEMQKJMNZZCDSJ-UHFFFAOYSA-N	186.642	2.151	50	40	AEGB	in-vitro
NCCCCCCCCl	44250274	SFVKPSZEWIOOPE-UHFFFAOYSA-N	149.665	2.134	50	40	AEGB	
N#C/C(=C\O)c1ccc(F)cc1	100163202	HPJZNGIZDUBVPH-SOFGYWHQSA-N	163.151	2.248	50	40	AEGB	
Cc1ccc(C(=O)Cl)cc1O	20248499	PKVFNDKRJSCKOW-UHFFFAOYSA-N	170.595	2.080	50	40	AEGB	
C[C@@H](Cl)C(=O)c1ccccc1C#N	307474879	SXGAJVFODTWZHQ-SSDOTTSWSA-N	193.633	2.368	50	40	AEGB	
O=C1c2ccccc2[C@H]1Cl	3848334	HHAIFLAITVAIKP-SSDOTTSWSA-N	152.580	2.163	50	40	AEGB	
Cn1ncc2c(CCl)cccc21	149903074	IAIQLRMHQSVYFM-UHFFFAOYSA-N	180.638	2.312	50	40	AEGB	
O=C(CCl)Cc1ccc(F)cc1	19436014	JFXDUAWJIMUJQN-UHFFFAOYSA-N	186.613	2.176	50	40	AEGB	in-vitro
O=C(NCCl)Nc1ccccc1	1732162	MRJHXSAMWJRRBL-UHFFFAOYSA-N	184.626	2.004	50	40	AEGB	
CC1(C(=O)Cl)CCCC1	39056005	NECUSOPHCDZPGU-UHFFFAOYSA-N	146.617	2.332	50	40	AEGB	
[C-]#[N+]Cc1cc(F)cc(F)c1	104403734	QHXJCHCLOUDIAE-UHFFFAOYSA-N	153.131	2.384	50	40	AEGB	
Cl[C@@H]1C[C@H]2CC[C@H]1C2	105126099	PJWBUKHIZPKRJF-LYFYHCNISA-N	130.618	2.414	50	40	AEGB	
C[C@H](SC#N)C(=O)c1ccccc1	139086602	MMLHCZBXGMTTPP-QMMMGPOBSA-N	191.255	2.472	50	40	AEGB	
CC1(C)C[C@H](N=C=S)CCO1	12341455	WQUAVNROUQFNAD-SSDOTTSWSA-N	171.265	2.047	50	40	AEGB	
[C-]#[N+]Cc1ccc(C)cc1	95697943	HGHYFKUMLWEAMR-UHFFFAOYSA-N	131.178	2.414	50	40	AEGB	
S=C=NC(C1CC1)C1CC1	49235726	IYBYGPRXCBJXDA-UHFFFAOYSA-N	153.250	2.278	50	40	AEGB	in-vitro
COc1ccc2nc(CCl)cn2c1	147502868	CFAKMYWQARVTML-UHFFFAOYSA-N	196.637	2.082	50	40	AEGB	
CCC[C@@H](Cl)CCC(=O)O	59690909	LGXBAGPNICJSOY-ZCFIWIBFSA-N	164.632	2.259	50	40	AEGB	
ClCCN1C[C@@H]2CCCC[C@H]2C1	1682056	PNSLIXYBEOQZMG-UWVGGRQHSA-N	187.714	2.347	50	40	AEGB	
Cc1ccc2c(c1)OCC(C#N)=C2	20390052	WPYUARFCSMBOHX-UHFFFAOYSA-N	171.199	2.294	50	40	AEGB	
O=c1cc(CCl)c2ccccc2[nH]1	39225419	CRRYOQCJJMTGER-UHFFFAOYSA-N	193.633	2.267	50	40	AEGB	
CCO/C(C=O)=C\c1ccccc1	95611861	GZVJKVKVGKKJBG-FLIBITNWSA-N	176.215	2.263	50	40	AEGB	
CCCOC(=O)OCCCCl	307919889	HSKPGBIJYNGNGU-UHFFFAOYSA-N	180.631	2.179	50	40	AEGB	
C[C@@H]1O[C@H](CCl)OCC1(C)C	1667395	CPNYXLIWXPSHAB-NKWVEPMBSA-N	178.659	2.013	50	40	AEGB	
FC(F)(F)C(F)(F)CCl	1847434	XTRPJEPJFXGYCI-UHFFFAOYSA-N	168.492	2.423	50	40	AEGB	
CC(C)CC[C@H](C)NC(=O)CCl	4219098	QXDSXHGCALZLQN-QMMMGPOBSA-N	191.702	2.166	50	40	AEGB	in-vitro
C/C(C=O)=C\c1csc(C)n1	39038429	WYCFAQGMIOYSTN-ZZXKWVIFSA-N	167.233	2.054	50	40	AEGB	
CC1CCC(OC(=O)CCl)CC1	1597249	SFUWJPJHSQCOQI-UHFFFAOYSA-N	190.670	2.347	50	40	AEGB	
N#C/C(=C/O)c1ccc(F)cc1	100026012	HPJZNGIZDUBVPH-VURMDHGXSA-N	163.151	2.248	50	40	AEGB	
C[C@@H](Cl)CN1CCCCC1	1700299	KFWCHHIRLGAWOS-MRVPVSSYSA-N	161.676	2.100	50	40	AEGB	
COc1ccccc1CC(=O)CCl	32009687	FXYZVHRRAMJHFM-UHFFFAOYSA-N	198.649	2.046	50	40	AEGB	
F[C@H](Cl)[C@]1(F)C=CC(F)(F)O1	68591031	WDJDFSMLOAZKIN-IMJSIDKUSA-N	190.523	2.366	50	40	AEGB	
ClCC1CCC1	57385890	QTVRMTUUKBEVAO-UHFFFAOYSA-N	104.580	2.025	50	40	AEGB	
CC1=C(C)C[C@@H](CCl)OC1	4205229	FTWQHRQBNMWCOL-QMMMGPOBSA-N	160.644	2.351	50	40	AEGB	
C/C=C\[C@@H](C#N)O[Si](C)(C)C	195760047	WWNMTKNCFACRKM-SLGIHZDVSA-N	169.300	2.306	50	40	AEGB	
ClCc1cnc2ccccc2n1	34140440	AAUVNJJBLOZTAO-UHFFFAOYSA-N	178.622	2.369	50	40	AEGB	
Cc1ccc2[nH]nc(C(=O)Cl)c2c1	89195887	ABIMJZVKZBBRLW-UHFFFAOYSA-N	194.621	2.250	50	40	AEGB	
S=C=NC/C(Cl)=C/Cl	1639485	BIBDBPVXUDWPHA-RJRFIUFISA-N	168.048	2.408	50	40	AEGB	
CC(CC(C)C)=C(C#N)C#N	1701113	JZIRXADCEWFWTH-UHFFFAOYSA-N	148.209	2.396	50	40	AEGB	
Cc1ccoc1C(=O)CCl	87224263	TZPGCGVDIXPEFR-UHFFFAOYSA-N	158.584	2.010	50	40	AEGB	
CC(C)CC(CC(C)C)=NNC(N)=O	5715529	SLYOAPBNQGTTBT-UHFFFAOYSA-N	199.298	2.103	50	40	AEGB	
C=CCC[C@@]1(C)OC[C@H](CCl)O1	1689311	LNSPIMKRHPCVGN-IUCAKERBSA-N	190.670	2.323	50	40	AEGB	
COc1ccc(C(=O)Cl)c(C)c1	20154681	OPLXJLGRDDNPOW-UHFFFAOYSA-N	184.622	2.383	50	40	AEGB	
COc1cc(C)c(CCl)cn1	72222969	LQOSCJVJSJJGLA-UHFFFAOYSA-N	171.627	2.137	50	40	AEGB	
Cl[C@H]1C[C@@H]2CC[C@@H]1C2	100127455	PJWBUKHIZPKRJF-QYNIQEEDSA-N	130.618	2.414	50	40	AEGB	
C[C@H]1CCCCN1C(=O)CCCl	5529145	GHRXNNMNSBQTGP-QMMMGPOBSA-N	189.686	2.016	50	40	AEGB	
Cc1cc(C)c(C(=O)CCl)[nH]1	37624350	SNCHNJOPTXAHSC-UHFFFAOYSA-N	171.627	2.053	50	40	AEGB	
C[C@@H](Cl)c1nccc(Cl)n1	72207424	ZDLFIGHFYFVFTM-SCSAIBSYSA-N	177.034	2.430	50	40	AEGB	
N#CC(C#N)=CNc1ccccc1F	2168628	XKTKTMVINGNMAB-UHFFFAOYSA-N	187.177	2.169	50	40	AEGB	
Oc1cccc(CBr)c1	34140153	JHQONOCFAYZOEQ-UHFFFAOYSA-N	187.036	2.287	50	40	AEGB	in-vitro
O=N[C@@H]1CCC[C@H](Cl)C1	5085186	KLHZIAQFHXOEOB-NTSWFWBYSA-N	147.605	2.303	50	40	AEGB	
Cn1ccc2c(CCl)ccnc21	141541706	KBLVFRCMTBGHTL-UHFFFAOYSA-N	180.638	2.312	50	40	AEGB	
OC12CC3C[C@@H](C1)C(Cl)[C@H](C3)C2	12410571	SQFWORKEUYQZGS-ALPUWHEMSA-N	186.682	2.165	50	40	AEGB	
COc1cccc(/C(C#N)=C\O)c1	100026007	CZLSAZFDZVXOHW-CLFYSBASSA-N	175.187	2.118	50	40	AEGB	
Cc1ccc(CCl)nc1	32180603	MXOPKPMEGUYUCV-UHFFFAOYSA-N	141.601	2.129	50	40	AEGB	in-vitro
C[C@@H](Cl)c1nc(C2CC2)no1	20368630	CPBXBALGEBUGLL-SCSAIBSYSA-N	172.615	2.247	50	40	AEGB	in-vitro
C=C[C@H](Cl)C[C@@H]1CC[C@H]2O[C@H]12	104364917	NIPFFBCYRHNWCO-RBXMUDONSA-N	172.655	2.347	50	40	AEGB	
C/C=C/[C@H](C#N)O[Si](C)(C)C	195471269	WWNMTKNCFACRKM-HQZHTGGTSA-N	169.300	2.306	50	40	AEGB	
CCC[Si](C)(C)OC	195751529	NCHMPORHGFKNSI-UHFFFAOYSA-N	132.279	2.248	50	40	AEGB	
Cn1ccc2ccc(CCl)nc21	238551904	QBUFDLVOUMTNSK-UHFFFAOYSA-N	180.638	2.312	50	40	AEGB	
Cc1cccc(/C=C/C=O)c1	21304294	SJLLZWMNPJCLBC-ZZXKWVIFSA-N	146.189	2.207	50	40	AEGB	
Br[C@H]1CC=CCC1	86860163	IDYIRPALXVSDCK-LURJTMIESA-N	161.042	2.490	50	40	AEGB	
CCC/C=C/C=C\C=O	31290658	DVVATNQISMINCX-DEQVHDEQSA-N	124.183	2.098	50	40	AEGB	
COCc1cccc(C(=O)Cl)c1	9237309	FDGKURKKEZGXPU-UHFFFAOYSA-N	184.622	2.212	50	40	AEGB	
CC(C)(C)OC(=O)OCCCl	149194465	IRSCRZZNGLYXFJ-UHFFFAOYSA-N	180.631	2.177	50	40	AEGB	
COc1ccc(/C(C#N)=C/O)cc1	101388812	MDNQHMUKHUIUGZ-VQHVLOKHSA-N	175.187	2.118	50	40	AEGB	
C=C[Si](C)(C)O[Si](C)C	195815556	FCCRGBVYSYHQRQ-UHFFFAOYSA-N	159.357	2.184	50	40	AEGB	
CCCCSC[C@H](O)CCl	1604099	OUMUXJOBEAQFSA-SSDOTTSWSA-N	182.716	2.119	50	40	AEGB	
CN(CCCl)C1CCCCC1	3073660	MCVHNCIHXMQWGY-UHFFFAOYSA-N	175.703	2.490	50	40	AEGB	
CCC[C@@H](Br)C(=O)Cl	38338990	PMUTYIACIXXOGC-SCSAIBSYSA-N	199.475	2.315	50	40	AEGB	
Cc1ccc(/C=C/N=C=O)cc1	72220824	ZFCZBWNRIBVYIW-VOTSOKGWSA-N	159.188	2.302	50	40	AEGB	
C[C@H](Cl)C(=O)N(C)c1ccccc1	2028152	XDJABDKFGVGBAZ-QMMMGPOBSA-N	197.665	2.277	50	40	AEGB	
N#C/C(=C\O)c1cccs1	100469125	FQMRUXPSESSECC-AATRIKPKSA-N	151.190	2.171	50	40	AEGB	
CC1=C(C#N)C(C)(C)CC[C@H]1O	34448855	SHXGHJVCCYQKMQ-SECBINFHSA-N	165.236	2.007	50	40	AEGB	in-vitro
C=C[C@@H](Cl)C[C@H]1CC[C@H]2O[C@H]12	104364927	NIPFFBCYRHNWCO-FNCVBFRFSA-N	172.655	2.347	50	40	AEGB	
N#CCC(=C(C#N)C#N)c1ccccc1	6927241	OKGPOSFUSLYERN-UHFFFAOYSA-N	193.209	2.401	50	40	AEGB	
C[C@H]1CCCCN1C(=O)Cl	39056184	QMIKDOBDKNYLGB-LURJTMIESA-N	161.632	2.220	50	40	AEGB	in-vitro
CC1(C)[C@@H]2CC=C(C=O)[C@H]1C2	968030	KMRMUZKLFIEVAO-RKDXNWHRSA-N	150.221	2.178	50	40	AEGB	endogenous,in-man
Cl[C@@H]1CCN(Cc2ccccc2)C1	39647161	AFTQVONOXWGZPJ-LLVKDONJSA-N	195.693	2.500	50	40	AEGB	
COC(=O)c1cc(CCl)c(C)o1	500132	XSQLZOXWRIQRDI-UHFFFAOYSA-N	188.610	2.113	50	40	AEGB	in-vitro
N#CC1=CC[C@H]2CC[C@@H]1C2	4775326	VYGLDVIPEABEQL-HTQZYQBOSA-N	133.194	2.256	50	40	AEGB	
CCCC[C@H](CC)/C(C)=N/NC(N)=O	5081199	CSNRQKYOXIHLFE-KWINOFQJSA-N	199.298	2.247	50	40	AEGB	
O=C(Cl)CCOc1ccccc1	6115971	SBSYFELXUYBRND-UHFFFAOYSA-N	184.622	2.221	50	40	AEGB	in-vitro
C=C(OCC)O[Si](C)(C)C	195924013	KWKPPZVLRABURT-UHFFFAOYSA-N	160.289	2.346	50	40	AEGB	
FC(F)(F)c1ccn(CCCl)n1	43298384	HPDANJRMGZEATI-UHFFFAOYSA-N	198.575	2.141	50	40	AEGB	
Cc1cc2c(c(C(=O)Cl)c1)OCC2	96125902	UCYPVAJBWDLTHA-UHFFFAOYSA-N	196.633	2.309	50	40	AEGB	
ClCc1cnc(-c2ccncc2)[nH]1	91696213	WPUZJSQVOZWBKK-UHFFFAOYSA-N	193.637	2.211	50	40	AEGB	
CP(C)(F)(F)F	100072006	KNASZCLKUVTJSF-UHFFFAOYSA-N	118.038	2.453	50	40	AEGB	
COCc1ccc(C(=O)Cl)cc1	9237319	FHLONZHNJKJMND-UHFFFAOYSA-N	184.622	2.212	50	40	AEGB	
S=C=Nc1cccc2[nH]ncc12	145523550	BUWPWKGSQHYWAA-UHFFFAOYSA-N	175.216	2.297	50	40	AEGB	
O=C/C(=C/O)c1ccc(Cl)cc1	153791	BPCQPZCKKNFWCF-YVMONPNESA-N	182.606	2.438	50	40	AEGB	
CC1CC(CCl)C1	85391720	KPPMYBDVIXWIME-UHFFFAOYSA-N	118.607	2.271	50	40	AEGB	
COc1ccc(COCCl)cc1	34562455	DNZXMWKFPMIKRG-UHFFFAOYSA-N	186.638	2.408	50	40	AEGB	
Cc1cc([N+](=O)[O-])ccc1C(=O)Cl	39311218	LMDIDOFTXQERLH-UHFFFAOYSA-N	199.593	2.282	50	40	AEGB	
CC(=O)c1ccc(O)c(CCCl)c1	71790784	HNOCBJJXTMURPB-UHFFFAOYSA-N	198.649	2.376	50	40	AEGB	in-vitro
CCCn1nccc1CCl	77863125	IOLIWXADKAKPJC-UHFFFAOYSA-N	158.632	2.032	50	40	AEGB	
CC[C@H](CCl)OCCCl	5468853	NKQDANWNIOOXHC-ZCFIWIBFSA-N	171.067	2.259	50	40	AEGB	
O=C=N/C=C/c1ccc(F)cc1	39089013	KVFPFQAVYRJEKB-AATRIKPKSA-N	163.151	2.132	50	40	AEGB	
CC(C)NCCCCCCl	1646689	SBIYZEYEAYGBKH-UHFFFAOYSA-N	163.692	2.394	50	40	AEGB	
N#C[C@@H](Cl)Cc1ccccc1	2036329	ZUPBNBYEVVGQKK-VIFPVBQESA-N	165.623	2.360	50	40	AEGB	in-vitro
C[C@@H](N=C=O)C1CCCCC1	2548053	IGSKYRAPJLTXSO-MRVPVSSYSA-N	153.225	2.291	50	40	AEGB	
CC(C)n1nccc1CCl	72209565	QEDPJNDEFANEPJ-UHFFFAOYSA-N	158.632	2.203	50	40	AEGB	
CC(C)(C)OC(=O)CCCCl	8699940	CRSVVUBCNZULGK-UHFFFAOYSA-N	178.659	2.347	50	40	AEGB	in-vitro
CC(=O)c1ccccc1C(=O)Cl	39056605	LFAHDEVKBSAKEX-UHFFFAOYSA-N	182.606	2.268	50	40	AEGB	
S=C=NCc1cccs1	2582030	OKJOHEAQGOKDDQ-UHFFFAOYSA-N	155.247	2.351	50	40	AEGB	in-vitro
O=CC1=CCCCCCC1	66323358	TZBOAAPYTXFCMK-UHFFFAOYSA-N	138.210	2.466	50	40	AEGB	in-vitro
Cc1cc(CCl)ncc1C#N	261508661	VOXROQPKKVISOO-UHFFFAOYSA-N	166.611	2.001	50	40	AEGB	
COc1ccc(/C=N\CCl)cc1	104145733	IVXGHPSTNHOQIR-WDZFZDKYSA-N	183.638	2.310	50	40	AEGB	
O=N[C@H]1CCC[C@H](Cl)C1	5085185	KLHZIAQFHXOEOB-WDSKDSINSA-N	147.605	2.303	50	40	AEGB	
O=C(Cl)c1cncc(Cl)c1	39056562	BMKOWBGBYPYXET-UHFFFAOYSA-N	176.002	2.114	50	40	AEGB	
C[C@H](CCl)CC(=O)Cl	96024961	WPJSMHMSPFVCED-BYPYZUCNSA-N	155.024	2.017	50	40	AEGB	
O=C(Cl)Cc1c[nH]c2ccccc12	14516998	LTHMRIBEZUPRKD-UHFFFAOYSA-N	193.633	2.476	50	40	AEGB	
C[C@H](Cl)C(=O)Cc1ccccc1	36379499	KZYJDRDACPTHPU-QMMMGPOBSA-N	182.650	2.426	50	40	AEGB	
C[C@H](CCCC(=O)Cl)C(=O)Cl	100445948	UYAZSFMGCJMZOY-RXMQYKEDSA-N	197.061	2.324	50	40	AEGB	
Cc1ccc(CCl)c(O)c1	1595511	PJGQFSPUUDQIJM-UHFFFAOYSA-N	156.612	2.439	50	40	AEGB	
CC(=O)[C@@H](Br)CC(C)C	5454152	AKXQIHQVZDCBJY-ZETCQYMHSA-N	193.084	2.385	50	40	AEGB	
N#C[C@H](Cl)c1ccc2c(c1)OCO2	38220915	ISJYCMNPIDRHSH-ZETCQYMHSA-N	195.605	2.219	50	40	AEGB	
S=C=N[C@@H]1C[C@@H]2CC[C@@H]1C2	100400192	RBGDFYZLQKZUCO-BWZBUEFSSA-N	153.250	2.278	50	40	AEGB	
N#CSc1ccccc1F	47843945	OKRQLNHVJHGNOQ-UHFFFAOYSA-N	153.181	2.399	50	40	AEGB	in-vitro
O=C=Nc1cc(Cl)ccc1F	19511315	IAVUGNQDGAZJAZ-UHFFFAOYSA-N	171.558	2.446	50	40	AEGB	in-vitro
C[C@@H](CCl)CCC(=O)Cl	96033039	OFOCHMIQWVHCGE-RXMQYKEDSA-N	169.051	2.407	50	40	AEGB	
ClC[C@H]1CC(c2ccccc2)=NO1	337335	WLLQJFBIUIVVSH-SECBINFHSA-N	195.649	2.418	50	40	AEGB	
O=C(F)Nc1ccccc1	2575690	DZXAINSCQJRLEG-UHFFFAOYSA-N	139.129	2.188	50	40	AEGB	
CC(=O)SCCCBr	36437186	HEVOPKKCJMPBGL-UHFFFAOYSA-N	197.097	2.051	50	40	AEGB	in-vitro
COC(=O)/C(C#N)=C(\C)CC(C)C	1600381	JHXKUBARLVSKTG-CMDGGOBGSA-N	181.235	2.046	50	40	AEGB	
CN1CCC(CCCCl)CC1	60313582	DMDYBPVLUVMYKR-UHFFFAOYSA-N	175.703	2.347	50	40	AEGB	
CCC[C@@]1(C)OC[C@H](CCl)O1	1676111	DMLQPRQFFQISDW-YUMQZZPRSA-N	178.659	2.157	50	40	AEGB	
COc1ccc(/C=N/CCl)cc1	18037890	IVXGHPSTNHOQIR-IZZDOVSWSA-N	183.638	2.310	50	40	AEGB	
O=C(Cl)CCc1ccc(O)cc1	98213492	ZOYMZIFAQODIKU-UHFFFAOYSA-N	184.622	2.090	50	40	AEGB	
CCO[C@@H](Cl)[C@H](C)Cl	104515472	PALWJZXXCVMGKH-CRCLSJGQSA-N	157.040	2.215	50	40	AEGB	
C[C@@H](Cl)C[C@@H]1[C@H](CN)C1(C)C	4863188	SNLLQYROABBGMM-PRJMDXOYSA-N	175.703	2.235	50	40	AEGB	
COc1ccc(C)cc1C(=O)Cl	34252893	XKZYRMVAZDBSOA-UHFFFAOYSA-N	184.622	2.383	50	40	AEGB	
F[C@H]1C[C@H](CBr)C1	606303231	QMBXRHISFBCMGJ-URHBZAFASA-N	167.021	2.129	50	40	AEGB	
Oc1cccc(OCCCl)c1	43465046	JWKIIVFDXJRYDP-UHFFFAOYSA-N	172.611	2.010	50	40	AEGB	
COC(=O)c1ccccc1SC#N	339019	HSBMXOOZAJUDPX-UHFFFAOYSA-N	193.227	2.046	50	40	AEGB	
CC[C@@H](C)OCCCl	44342215	LHOJSNIASAHOFE-ZCFIWIBFSA-N	136.622	2.040	50	40	AEGB	
O=C[C@@H]1CCCCC[C@H]1Cl	1857793588	WDGHUSQGPBRTTJ-JGVFFNPUSA-N	160.644	2.373	50	40	AEGB	
N#CSc1cnc2ccccc2n1	15081045	MFASOEMSBODVAV-UHFFFAOYSA-N	187.227	2.203	50	40	AEGB	
ClCc1noc(-c2ccoc2)n1	34955967	XIMAUSTTXYGYOZ-UHFFFAOYSA-N	184.582	2.068	50	40	AEGB	in-vitro
COc1ccc(CCl)c(C)n1	38363149	SCIGCCNSUGXEIG-UHFFFAOYSA-N	171.627	2.137	50	40	AEGB	
N#CC1=C[C@H]2C=C[C@H]3C=C[C@H]1[C@H]32	45074613	FGPAZYJAFJEYOV-SCVMZPAESA-N	155.200	2.054	50	40	AEGB	
CCC#CCCCCl	2507824	NFSWUGZOVBYRKR-UHFFFAOYSA-N	130.618	2.419	50	40	AEGB	
N#Cc1ccccc1OCCCl	36883145	SUGFJMDVFMHIOK-UHFFFAOYSA-N	181.622	2.176	50	40	AEGB	
C[C@@H]1CC(Br)C[C@@H](C)O1	83255117	JARBCNALBGKFFF-PHDIDXHHSA-N	193.084	2.337	50	40	AEGB	
F[C@@H]1[C@H](Cl)C(F)(F)C1(F)F	80440248	TUQAWSUXFUXTIQ-NHYDCYSISA-N	180.503	2.216	50	40	AEGB	in-vitro
Cc1ccccc1C[C@@H](Cl)CO	1696840	XIVISKWJQOLFTK-SNVBAGLBSA-N	184.666	2.137	50	40	AEGB	
C[Si](C)(C)OCCBr	195771389	QKSJDOOUAJHQRY-UHFFFAOYSA-N	197.148	2.233	50	40	AEGB	
CC(C)(C)COC(=O)OCCl	149410903	VOYXHVPLPQAGKJ-UHFFFAOYSA-N	180.631	2.382	50	40	AEGB	
CC(C)C[C@H](C)NC(=O)CCCl	1678738	PSTIZTYLQORTTK-QMMMGPOBSA-N	191.702	2.166	50	40	AEGB	
ClC[C@@H]1CCCN2CCCC[C@@H]12	2944520	IBXKSXHUBMYDFR-UWVGGRQHSA-N	187.714	2.490	50	40	AEGB	in-vitro
N#C/C=C/N1CCc2ccccc2C1	6046612	JUSFSDAWCGRBNM-FPYGCLRLSA-N	184.242	2.082	50	40	AEGB	
O=C(Cl)c1cc(F)cnc1Cl	34407292	BNZVIKUKDGACRN-UHFFFAOYSA-N	193.992	2.253	50	40	AEGB	
CC(C)(C)c1cc(CCl)[nH]n1	34569036	OAFRKTUATCCVAQ-UHFFFAOYSA-N	172.659	2.446	50	40	AEGB	
Oc1ccc(CCl)nc1Cl	71788956	NVHCHXBUZVVSGP-UHFFFAOYSA-N	178.018	2.179	50	40	AEGB	
N#CC/C(C#N)=C1/C=CCC1	16952222	WTRWLAGGIWBMFF-CMDGGOBGSA-N	144.177	2.070	50	40	AEGB	
ClCc1c[nH]c2ncccc12	95628549	NFYZWYAOVLGLEI-UHFFFAOYSA-N	166.611	2.302	50	40	AEGB	
O=C1CC2(CCCCCC2)CC(=O)O1	110166845	CGSIJCLRVFEHNY-UHFFFAOYSA-N	196.246	2.191	50	40	AEGB	
C/C(C#N)=C1\Nc2ccccc2N1C	1515685	NWEGYTQZSVHQGE-FLIBITNWSA-N	185.230	2.303	50	40	AEGB	
N#C/C=C\c1ccc([N+](=O)[O-])s1	17140373	JVIYUYUAYBNEQU-UPHRSURJSA-N	180.188	2.193	50	40	AEGB	
O=C[C@@H](Br)c1ccccc1	75601035	LOUZEJGRHQDABV-MRVPVSSYSA-N	199.047	2.322	50	40	AEGB	
O=C(CCl)c1cnc(Cl)s1	95635195	HLWSJFNCRQBIDA-UHFFFAOYSA-N	196.058	2.218	50	40	AEGB	in-vitro
C[C@H](Cl)c1ncc(Cl)cn1	402754189	DOTSZIDESSNWPC-BYPYZUCNSA-N	177.034	2.430	50	40	AEGB	
CC(C)C[C@]1(C)OC[C@@H](CCl)O1	525119	QNIIELOLZIKGNW-RKDXNWHRSA-N	192.686	2.403	50	40	AEGB	in-vitro
Nc1ccc(Cl)cc1C(=O)Cl	11804354	LTTIROGMGGAMBU-UHFFFAOYSA-N	190.029	2.301	50	40	AEGB	
Cc1cc(O)ccc1SC#N	1680029	AKBUQNBHFALNTI-UHFFFAOYSA-N	165.217	2.274	50	40	AEGB	
C=C[N+](CC)(CCCl)CCCl	1718301	ILXSLTSHKSPXSR-UHFFFAOYSA-N	197.129	2.444	50	40	AEGB	
N#CSc1c[nH]cc1SC#N	334097	UDYNKORNUUYVED-UHFFFAOYSA-N	181.245	2.161	50	40	AEGB	
Cc1nc([C@H](Cl)C#N)cs1	126778477	VEZWLWFVQHHLSS-RXMQYKEDSA-N	172.640	2.255	50	40	AEGB	
Cc1cc(Cl)nc(C(=O)Cl)c1	95836261	VRRFKVOVVYKCOO-UHFFFAOYSA-N	190.029	2.422	50	40	AEGB	
ClCCc1ccc2c(c1)OCO2	12370443	YFVIYUCTLBXCMJ-UHFFFAOYSA-N	184.622	2.197	50	40	AEGB	in-vitro
COc1ccc(OC)c(/C=C/C#N)c1	33548050	XDCGVZXQMCGIIF-ONEGZZNKSA-N	189.214	2.241	50	40	AEGB	
O=C(Cl)[C@@H]1C[C@H]2CC[C@H]1C2	101270393	GDBUZLAZTFSUEL-LYFYHCNISA-N	158.628	2.188	50	40	AEGB	in-vitro
ClCC(CCl)CCl	103710622	KLEPBQWRIKLQQM-UHFFFAOYSA-N	161.459	2.319	50	40	AEGB	
CC(C)OOC(=O)OC(C)(C)C	2581949	UZVPIXBMGPDIIQ-UHFFFAOYSA-N	176.212	2.278	50	40	AEGB	
CCO/N=C(/C)[C@@H](C)SC#N	5048390	MICHMMBWUVHBDP-WRDFDADTSA-N	172.253	2.002	50	40	AEGB	
ClCc1ncc(C2CC2)o1	40539300	AGEWMMYBZYLLLS-UHFFFAOYSA-N	157.600	2.291	50	40	AEGB	in-vitro
CC(=O)CCCCBr	2023803	CZGOECYPTLSLNI-UHFFFAOYSA-N	179.057	2.141	50	40	AEGB	in-vitro
C[C@H](Cl)c1nc(C2CC2)no1	20368632	CPBXBALGEBUGLL-BYPYZUCNSA-N	172.615	2.247	50	40	AEGB	in-vitro
O[C@@H](CCl)c1ccc(F)c(F)c1	12506207	RYOLLNVCYSUXCP-QMMMGPOBSA-N	192.592	2.237	50	40	AEGB	
Cc1cccc2[nH]nc(C(=O)Cl)c12	80084941	RPRMSRMJOVUWTJ-UHFFFAOYSA-N	194.621	2.250	50	40	AEGB	
CC(C)S/C(=C\C#N)C(C)(C)O	5381429	NGBDNVWFNNHCRK-YVMONPNESA-N	185.292	2.306	50	40	AEGB	
Cc1cc(C)c2c(c1)N[S@@](=O)S2	6484406	AWECTPWLHFSJDF-GFCCVEGCSA-N	199.300	2.400	50	40	AEGB	
C/C(C=O)=C/c1ccc2c(c1)OCO2	507584	VLNPUVFEUOBXDK-YWEYNIOJSA-N	190.198	2.018	50	40	AEGB	
Cc1ccc(C(=O)OCCCl)cc1	1615265	WZQBXMZRSKRWJQ-UHFFFAOYSA-N	198.649	2.391	50	40	AEGB	
CSC(=O)/C(C#N)=C/c1ccoc1	125155	NVDNZXYZRRTOGP-XBXARRHUSA-N	193.227	2.076	50	40	AEGB	
COC(=O)c1ccc(/C=C\C#N)cc1	5641017	QEXRDLACHBWICR-IHWYPQMZSA-N	187.198	2.010	50	40	AEGB	
CCC[C@H](Cl)CCC(=O)O	59690906	LGXBAGPNICJSOY-LURJTMIESA-N	164.632	2.259	50	40	AEGB	
C[C@H]1Cc2cccc(C(=O)Cl)c2O1	201350356	GBGBIIDMPLANTO-LURJTMIESA-N	196.633	2.389	50	40	AEGB	
O=C=N/C=C/c1ccccc1F	72220823	BFKKARIOHZSQKV-AATRIKPKSA-N	163.151	2.132	50	40	AEGB	
CC(=O)N(C)/N=N/c1ccc(C)cc1	18044516	YWZSIEORQZIPIT-VAWYXSNFSA-N	191.234	2.472	50	40	AEGB	
O=C(Cl)c1ccc(O)c(Cl)c1	20248513	LCWGNQGMIMCZJP-UHFFFAOYSA-N	191.013	2.425	50	40	AEGB	
CC(C)C[C@@H](Br)C#N	116317982	GPNVFADTULBZGG-ZCFIWIBFSA-N	176.057	2.320	50	40	AEGB	
CCCCCCSS(C)(=O)=O	2576412	LQICNBQQUNSDDJ-UHFFFAOYSA-N	196.337	2.260	50	40	AEGB	in-vitro
O=C(N=C=S)c1cc(F)cc(F)c1	21963792	NDVOIVNOHLKKGA-UHFFFAOYSA-N	199.181	2.208	50	40	AEGB	in-vitro
CC[C@@H](C)OCCBr	48264465	NMNDZFDCNRWDBW-ZCFIWIBFSA-N	181.073	2.196	50	40	AEGB	
[C-]#[N+]Cc1c(F)cccc1F	95698190	HJSWWGCPDINLMM-UHFFFAOYSA-N	153.131	2.384	50	40	AEGB	
O=C(c1nccs1)C(Cl)Cl	97952431	KPBOLVWXRGIEGF-UHFFFAOYSA-N	196.058	2.130	50	40	AEGB	
CC(C)OCCCCl	19414371	OYVDATWIUMMRMU-UHFFFAOYSA-N	136.622	2.040	50	40	AEGB	in-vitro
S=C=NC1Cc2ccccc2C1	2243801	CZURARUOQAYJOX-UHFFFAOYSA-N	175.256	2.257	50	40	AEGB	
Cc1ccc(C(O)=C(C#N)C#N)cc1	7996528	VGQMAXLZZVLYAE-UHFFFAOYSA-N	184.198	2.311	50	40	AEGB	
COc1ccc(CC(=O)CCl)cc1	32009690	NERHZTFDMOMRHP-UHFFFAOYSA-N	198.649	2.046	50	40	AEGB	
C[C@@H](Cl)C(=O)C#Cc1ccccc1	238420629	DBPDNUOLPRSCLA-SECBINFHSA-N	192.645	2.235	50	40	AEGB	
ClCc1coc(C2CC2)n1	58517765	RSPGSHAMFWAJIY-UHFFFAOYSA-N	157.600	2.291	50	40	AEGB	in-vitro
CO[C@H](C)c1noc([C@H](C)Cl)n1	86573815	RYXYKMPXZZLHMT-CRCLSJGQSA-N	190.630	2.077	50	40	AEGB	
CC(C)(CCl)CC#N	15021815	IYTHQBPUIIUTFH-UHFFFAOYSA-N	131.606	2.165	50	40	AEGB	
C[C@@H](Cl)c1ccncc1	26515372	XBTYVRGJFWXDCX-ZCFIWIBFSA-N	141.601	2.381	50	40	AEGB	in-vitro
COc1ccc(F)cc1/C=C/C=O	72220727	MQRQCZSJUGGENE-NSCUHMNNSA-N	180.178	2.046	50	40	AEGB	
O=C(CCl)c1cc(F)cc(F)c1	83119886	PUXLAAYNWCGPLH-UHFFFAOYSA-N	190.576	2.386	50	40	AEGB	
CO[Si](C)(C)CCCCl	195767095	JTWDWVCNOLORBR-UHFFFAOYSA-N	166.724	2.467	50	40	AEGB	
CCO[C@@H](O[Si](C)(C)C)C(F)F	627281311	LXBNCRNAECNTAQ-ZETCQYMHSA-N	198.285	2.466	50	40	AEGB	
O=C(N=C=S)c1ccc(F)cc1	1694174	GZMSWUYBYCVYKI-UHFFFAOYSA-N	181.191	2.069	50	40	AEGB	in-vitro
N#Cc1ccc2oc(CCl)nc2c1	15020376	DRJGTMOTYBEPCM-UHFFFAOYSA-N	192.605	2.438	50	40	AEGB	
Cc1ccc(C(=O)CCl)c(O)c1	154854	CILOCUGMZNPPFM-UHFFFAOYSA-N	184.622	2.122	50	40	AEGB	
ClCCc1c[nH]c2ncccc12	39473495	AJQNUEYAFPCZIE-UHFFFAOYSA-N	180.638	2.344	50	40	AEGB	
Cl[C@H]1CCN[C@H]2CCCC[C@@H]12	13424560	ZWRZSBDOSLQQRX-CIUDSAMLSA-N	173.687	2.146	50	40	AEGB	
O=C(CCl)COCc1ccccc1	38338981	GFJAPTGKACTACX-UHFFFAOYSA-N	198.649	2.011	50	40	AEGB	
OCCCCCCCCl	5113153	DPNLUCKAZIFDLB-UHFFFAOYSA-N	150.649	2.168	50	40	AEGB	
CC(C)(O)/C=C/O[Si](C)(C)C	198364441	FZLVGRFAVVVRGW-VOTSOKGWSA-N	174.316	2.123	50	40	AEGB	
CC(C)C(NC(=O)CCl)C(C)C	379311436	LYKUPQSRHUSPJS-UHFFFAOYSA-N	191.702	2.022	50	40	AEGB	
CC1=C(C#N)C(C)(C)CC[C@@H]1O	34448853	SHXGHJVCCYQKMQ-VIFPVBQESA-N	165.236	2.007	50	40	AEGB	in-vitro
CCO[C@H](Cl)[C@@H](C)Cl	104515460	PALWJZXXCVMGKH-UHNVWZDZSA-N	157.040	2.215	50	40	AEGB	
C[Si](C)O[Si](C)(C)C	195814892	XUKFPAQLGOOCNJ-UHFFFAOYSA-N	147.346	2.089	50	40	AEGB	
CCN(CC)C(C)(C)CCl	1702809	CBFJTVNVMQHWIP-UHFFFAOYSA-N	163.692	2.346	50	40	AEGB	
O=C(Cl)c1ncccc1Cl	39056547	ZAFLZRNJFHWOQQ-UHFFFAOYSA-N	176.002	2.114	50	40	AEGB	
O=C(C(Cl)Cl)C(Cl)Cl	1723269	DJWVKJAGMVZYFP-UHFFFAOYSA-N	195.860	2.163	50	40	AEGB	
Cc1ccc(C[C@H](Cl)C=O)cc1	36203827	NVCGPACVQZILLV-JTQLQIEISA-N	182.650	2.344	50	40	AEGB	
CC(C)(CBr)CC#N	88187515	WWXBWXNXFFTRMI-UHFFFAOYSA-N	176.057	2.321	50	40	AEGB	in-vitro
Cn1nc2c(c1CCl)CCCC2	238529612	ASJBPSSRFJAZQV-UHFFFAOYSA-N	184.670	2.038	50	40	AEGB	
C/C=C/C=C/C=C/C=C\C=O	257362177	ADCGETJXLJQTBY-DUSYJFJGSA-N	148.205	2.430	50	40	AEGB	
C/C(C=O)=C\c1ccccc1F	49804801	BEYJLWPCKXPANB-SOFGYWHQSA-N	164.179	2.428	50	40	AEGB	
CC(Cl)(Cl)CCl	95678184	DAIIXVPKQATIMF-UHFFFAOYSA-N	147.432	2.419	50	40	AEGB	
COC(=O)Cc1cccc(CCl)c1	104451592	MJRWRXOVDRNSGG-UHFFFAOYSA-N	198.649	2.141	50	40	AEGB	in-vitro
N#Cc1ccc(CCCl)cc1	82046825	SCDLDNNUCNWTQH-UHFFFAOYSA-N	165.623	2.340	50	40	AEGB	
COc1ccc(/C=C/C=C/C=O)cc1	1592592	IMYIHKBGPIBXFG-ZUVMSYQZSA-N	188.226	2.464	50	40	AEGB	in-vitro
Cc1cc(C=C(C#N)C#N)c(C)[nH]1	3181347	ZODMCUCADFHXIF-UHFFFAOYSA-N	171.203	2.062	50	40	AEGB	
CCOc1ccc(CC(=O)Cl)cc1	33432937	DOJYHQGYPJKSPT-UHFFFAOYSA-N	198.649	2.393	50	40	AEGB	in-vitro
Nc1cc(Cl)ccc1C(=O)Cl	67172024	IMMQTZLWNGNMLV-UHFFFAOYSA-N	190.029	2.301	50	40	AEGB	
CO[C@]1(C)CCC(Cl)=C(C=O)C1	116884432	JTPFQVFMAQTQMP-SECBINFHSA-N	188.654	2.267	50	40	AEGB	
CCOC(=O)/C=C\CCCCl	32098821	CKAKSKNWORUGDA-XQRVVYSFSA-N	176.643	2.125	50	40	AEGB	
CCn1cc(Cl)c(CCl)n1	95098471	GQUOZSMMOGEVOT-UHFFFAOYSA-N	179.050	2.295	50	40	AEGB	
O=C[C@@H](Cl)c1ccc([N+](=O)[O-])cc1	9193755	ATNZPTMBVHUNLZ-MRVPVSSYSA-N	199.593	2.074	50	40	AEGB	
CC(C)(C)c1nnc(CCl)o1	12480326	QIITUCORMJJTAC-UHFFFAOYSA-N	174.631	2.106	50	40	AEGB	in-vitro
C=C1CC(CBr)C1	196724724	OLVUHYPOWFGJKF-UHFFFAOYSA-N	161.042	2.348	50	40	AEGB	
C[C@H](Cl)C(F)(F)F	64370148	VRVIDSRWPUGFBU-REOHCLBHSA-N	132.512	2.176	50	40	AEGB	
C[Si]1(C)CCCCO1	195764995	CWUHERHJSPPFHQ-UHFFFAOYSA-N	130.263	2.002	50	40	AEGB	
ClC[C@H]1CC(c2ccco2)=NO1	217846062	UBIMCVIDURUURA-ZCFIWIBFSA-N	185.610	2.011	50	40	AEGB	
Nc1ccc(CCCl)cc1	1674982	DIDOBGBVBCPOEE-UHFFFAOYSA-N	155.628	2.050	50	40	AEGB	in-vitro
CCSCCBr	1687819	WNKBNVXUYLXITH-UHFFFAOYSA-N	169.087	2.134	50	40	AEGB	in-vitro
C[P@@](=O)(Cl)c1ccccc1	95713609	BTMQENOUJJKBGT-JTQLQIEISA-N	174.567	2.459	50	40	AEGB	
Fc1cncc(CBr)c1	39120777	PLZOKCHSJPBRND-UHFFFAOYSA-N	190.015	2.116	50	40	AEGB	in-vitro
S=C=N[C@H]1C[C@H]2C=C[C@H]1C2	100433399	NQXLBONFJOFNHD-FXQIFTODSA-N	151.234	2.054	50	40	AEGB	
O=C(Cl)N1CCCCCC1	5133760	VCZFCDMBZCEPFV-UHFFFAOYSA-N	161.632	2.221	50	40	AEGB	
O=C(Cl)c1c(O)cccc1Cl	199754637	HQPKAJNHJJWNOA-UHFFFAOYSA-N	191.013	2.425	50	40	AEGB	
ClC[C@H]1CO[C@H](c2ccccc2)O1	530292	NPLBOQRGKONXBX-UWVGGRQHSA-N	198.649	2.339	50	40	AEGB	
O=CC1=COc2ccc(Cl)cc2C1	39249897	KOEHJLQPWVENFX-UHFFFAOYSA-N	194.617	2.358	50	40	AEGB	
O=C(Cl)c1ccncc1Cl	78946268	TXZFUXXDGJSIQJ-UHFFFAOYSA-N	176.002	2.114	50	40	AEGB	
CC[C@H](C)OCCBr	48264467	NMNDZFDCNRWDBW-LURJTMIESA-N	181.073	2.196	50	40	AEGB	
FC(Cl)(CCl)CCl	103527158	LOROQHBGERJNAM-UHFFFAOYSA-N	165.422	2.369	50	40	AEGB	
C[C@@H](Cl)CBr	2033082	YMHXXJJTAGKFBA-GSVOUGTGSA-N	157.438	2.009	50	40	AEGB	
N#CC(C#N)=C(Cl)C(F)(F)F	39251020	YNNSLJMJVZMJPG-UHFFFAOYSA-N	180.516	2.089	50	40	AEGB	
F[C@H](Cl)CC(F)(F)F	63148449	ZGOMEYREADWKLC-REOHCLBHSA-N	150.502	2.473	50	40	AEGB	
Cl[C@@H]1CC=CCC1	80810458	NCDVDTXDSDVLPL-ZCFIWIBFSA-N	116.591	2.334	50	40	AEGB	in-vitro
CC[N+](CC)(CC)CCCl	3172711	LUAAFKGNBOOOLN-UHFFFAOYSA-N	164.700	2.102	50	40	AEGB	
C[C@@H](CCCl)C(=O)Cl	34152149	LJXFUBMDMUVZKA-BYPYZUCNSA-N	155.024	2.017	50	40	AEGB	
C[P@](=O)(Cl)CCl	100013398	ZDXUZZVQABKQKW-ZCFIWIBFSA-N	146.941	2.329	50	40	AEGB	
C[C@@H]1Cc2cccc(C(=O)Cl)c2O1	201350321	GBGBIIDMPLANTO-ZCFIWIBFSA-N	196.633	2.389	50	40	AEGB	
O=N[C@@H]1CCCC[C@H]1Cl	5004384	IWTDSJVXBQXLLR-PHDIDXHHSA-N	147.605	2.303	50	40	AEGB	
C=CCSC(=O)Cl	39475971	GVJDDYZUVPXWDW-UHFFFAOYSA-N	136.603	2.264	50	40	AEGB	
ClC1[C@H]2C=CC3C=C[C@@H]1[C@H]32	102263305	FWAUCCPFOJNTNU-AWOZSJQHSA-N	152.624	2.212	50	40	AEGB	
C=C(CCl)CCCl	104737185	GUDUPNCGIFRNBD-UHFFFAOYSA-N	139.025	2.410	50	40	AEGB	
CC(=O)CC/C(=C/C#N)C(C)C	4811662	BJYKLWXMNCHXGP-POHAHGRESA-N	165.236	2.462	50	40	AEGB	
CC/C(C=O)=C\c1cccnc1	49804744	SILMSHIJGWWXKI-RMKNXTFCSA-N	161.204	2.074	50	40	AEGB	
FC[C@@H](Cl)C(F)(F)F	96342005	CNNJBYUJTYGLGG-UWTATZPHSA-N	150.502	2.126	50	40	AEGB	
C[C@H](Cl)C(=O)NC1CCCCC1	11535732	XEZUQDMCORIBFZ-ZETCQYMHSA-N	189.686	2.063	50	40	AEGB	in-vitro
Cc1cc(C(=O)Cl)nn1C(C)C	96025105	NUQFWNQEWXKIOO-UHFFFAOYSA-N	186.642	2.151	50	40	AEGB	
Cc1ccc(/C(C=O)=C\N(C)C)cc1	18045159	HCAFJKINDHGUDS-WQLSENKSSA-N	189.258	2.096	50	40	AEGB	
ClCc1cn(C2CCCC2)nn1	52225977	VRUIPHSSFAJEIM-UHFFFAOYSA-N	185.658	2.132	50	40	AEGB	
C[C@H]1CC(Cl)=C(C=O)C1	75529753	WACVZOREUMOLJI-RXMQYKEDSA-N	144.601	2.108	50	40	AEGB	
Cc1cc(C)nc(SCCl)n1	332842	NXVNNTAULUAQPC-UHFFFAOYSA-N	188.683	2.382	50	40	AEGB	
FC(F)(F)c1ccnc(CCl)n1	71863894	CEVIJOALFRBIOW-UHFFFAOYSA-N	196.559	2.234	50	40	AEGB	in-vitro
CCc1cccc(OC(=O)CCl)c1	1586486	YRHSYUNQLUKWJD-UHFFFAOYSA-N	198.649	2.393	50	40	AEGB	
COc1cccc(C)c1C(=O)Cl	20154484	ITMIWIVOVFXWET-UHFFFAOYSA-N	184.622	2.383	50	40	AEGB	
CC1(C)CC(Cl)=C(C=O)C1	116054231	NEWIRJGYIPVUMB-UHFFFAOYSA-N	158.628	2.498	50	40	AEGB	
N#CC1=CCCN(Cc2ccccc2)C1	62714249	KWEJZDIABASSLR-UHFFFAOYSA-N	198.269	2.342	50	40	AEGB	
S=C=Nc1cnccc1Cl	143739489	TWBZZNKBGURCLI-UHFFFAOYSA-N	170.624	2.469	50	40	AEGB	
CCC[C@@H]1CCCC/C1=N/NC(N)=O	104255480	MEVUKWHWBFPUFV-BNAPCTMISA-N	197.282	2.001	50	40	AEGB	
C=CCC[C@]1(C)OC[C@@H](CCl)O1	1689308	LNSPIMKRHPCVGN-RKDXNWHRSA-N	190.670	2.323	50	40	AEGB	
COc1ccc(/C(C#N)=C\O)cc1	100026008	MDNQHMUKHUIUGZ-CLFYSBASSA-N	175.187	2.118	50	40	AEGB	
C/C(C=O)=C/c1ccc(F)cc1	5502678	KGIKBRYVRUTDGR-VURMDHGXSA-N	164.179	2.428	50	40	AEGB	
O=N[C@H]1[C@@H]2CC[C@H](C2)[C@H]1Cl	104092300	IERNSKOZPIGLLP-GBNDHIKLSA-N	159.616	2.159	50	40	AEGB	
O=C=Nc1ccc(Cl)c([N+](=O)[O-])c1	164871	ZCPHLSPLEGBTCZ-UHFFFAOYSA-N	198.565	2.216	50	40	AEGB	in-vitro
COc1cccc(OC)c1CCl	37405174	WORNMIRYYMSPOY-UHFFFAOYSA-N	186.638	2.443	50	40	AEGB	in-vitro
COc1c(C)cccc1C(=O)Cl	3882878	XQUPQFHWGYHBLK-UHFFFAOYSA-N	184.622	2.383	50	40	AEGB	in-vitro
FP(F)F	256056062	WKFBZNUBXWCCHG-UHFFFAOYSA-N	87.968	2.122	50	40	AEGB	in-vitro
N#C/C(=C/C=C/c1ccccc1)C(=O)O	1596938	UBDXZYYYWGIRGN-KXBBGWRGSA-N	199.209	2.234	50	40	AEGB	
CN(C)c1cccc(CCl)c1	34301881	LFUXVPASAXMCML-UHFFFAOYSA-N	169.655	2.491	50	40	AEGB	in-vitro
COc1ccsc1C(=O)Cl	39208760	FKJRKDQMPJJVGC-UHFFFAOYSA-N	176.624	2.136	50	40	AEGB	in-vitro
ClCCO[C@H]1C[C@H]2CC[C@H]1C2	104049310	WNRMPLQXQBRSGN-CIUDSAMLSA-N	174.671	2.430	50	40	AEGB	
N#CC(C#N)=C(C1CC1)C1CC1	1643763	WNHGKHCOVLPMTE-UHFFFAOYSA-N	158.204	2.150	50	40	AEGB	
O=C/C(=C\O)c1ccnc2ccccc12	12360207	DJXJMDMKMFIGES-VQHVLOKHSA-N	199.209	2.333	50	40	AEGB	
O=C(Cl)c1cc(F)cc(F)c1O	98213478	UJOHAVTUAPVIRX-UHFFFAOYSA-N	192.548	2.049	50	40	AEGB	
C[C@@H]1CCCCN1C(=O)CCCl	5527987	GHRXNNMNSBQTGP-MRVPVSSYSA-N	189.686	2.016	50	40	AEGB	
CC(C)Cc1cc(C(=O)Cl)no1	39056739	MYXJIMBYCOXHNA-UHFFFAOYSA-N	187.626	2.252	50	40	AEGB	
FC(F)=CCCl	71790189	DHOJPULKJOMHDQ-UHFFFAOYSA-N	112.506	2.006	50	40	AEGB	
C=C[Si](C=C)(C=C)OCC	195751407	FBGNFSBDYRZOSE-UHFFFAOYSA-N	154.285	2.144	50	40	AEGB	
O=C/C(=C\O)c1cc(F)cc(F)c1	16125516	JZRKYJUIUMWQSM-QPJJXVBHSA-N	184.141	2.063	50	40	AEGB	
CC(C)c1noc([C@H](C)Cl)n1	12760953	UPWCEHOTWIZDPS-YFKPBYRVSA-N	174.631	2.493	50	40	AEGB	in-vitro
CC[C@H](C)OCCCCl	48264463	QEPWCMNEJUUHAO-ZETCQYMHSA-N	150.649	2.430	50	40	AEGB	
CCO[C@@H](Cl)[C@@H](C)Cl	104515464	PALWJZXXCVMGKH-RFZPGFLSSA-N	157.040	2.215	50	40	AEGB	
CC(=C(C#N)C#N)c1cccc(N)c1	1690855	MBQLBXLJQMHEHD-UHFFFAOYSA-N	183.214	2.089	50	40	AEGB	
CC(C)[C@H](C)Br	57368601	BLGVDCMNIAOLHA-YFKPBYRVSA-N	151.047	2.426	50	40	AEGB	
CC(C)(CCCl)C(=O)Cl	88189736	GGYSDFKHZYXXII-UHFFFAOYSA-N	169.051	2.407	50	40	AEGB	
C/C(=C(/C#N)C(=O)O)c1ccccc1	2043253	LEHQQGAGTSMDKO-CSKARUKUSA-N	187.198	2.068	50	40	AEGB	
CN(C)C1CCC(CCl)CC1	79436902	JRZLFWDVRBHECO-UHFFFAOYSA-N	175.703	2.346	50	40	AEGB	
[C-]#[N+][C@H](CCCCCC)C(=O)OC	95697986	RJIXWGJZEMHORO-SECBINFHSA-N	183.251	2.418	50	40	AEGB	
Cl[C@@H]1CCN[C@@H]2CCCC[C@H]12	4127259	ZWRZSBDOSLQQRX-IWSPIJDZSA-N	173.687	2.146	50	40	AEGB	
C[C@H]1CCC(=O)[C@H](Br)C1	39236604	ZGKHYOAPWMMURT-NTSWFWBYSA-N	191.068	2.139	50	40	AEGB	in-vitro
S=C=N[C@H]1C[C@H]2CC[C@H]1C2	100014908	RBGDFYZLQKZUCO-FXQIFTODSA-N	153.250	2.278	50	40	AEGB	in-vitro
FC(F)(F)Cn1ccnc1CCl	57218524	JEZJDJZELMSQHD-UHFFFAOYSA-N	198.575	2.184	50	40	AEGB	in-vitro
Cc1cc([C@@H](C)N=C=O)c(C)o1	62822216	LTUANKOTZLSCIH-SSDOTTSWSA-N	165.192	2.293	50	40	AEGB	in-vitro
FS(F)(F)F	245238080	QHMQWEPBXSHHLH-UHFFFAOYSA-N	108.059	2.329	50	40	AEGB	in-vitro
CC[C@H](Cl)CBr	2507814	VHMXKTNRBDTDRA-BYPYZUCNSA-N	171.465	2.399	50	40	AEGB	
N#C/C=C1\CCc2ccc3c(c21)CCO3	100046832	TUFWVKLKUFXARX-BJMVGYQFSA-N	197.237	2.475	50	40	AEGB	
C[C@@H](CCCC(=O)Cl)C(=O)Cl	100445944	UYAZSFMGCJMZOY-YFKPBYRVSA-N	197.061	2.324	50	40	AEGB	
N#CCCCCCCl	1689748	PLKNMBFMTVKLEW-UHFFFAOYSA-N	131.606	2.309	50	40	AEGB	
COc1cccc(CCCl)c1	1701711	YGYPCEPMUOKONV-UHFFFAOYSA-N	170.639	2.477	50	40	AEGB	
CC[C@@H](CCl)[n+]1ccccc1	5468047	PQTUCEWIMJFTDH-VIFPVBQESA-N	170.663	2.164	50	40	AEGB	
Cc1cnc(CCl)nc1Cl	95094008	IALYKTKMRHFAQR-UHFFFAOYSA-N	177.034	2.177	50	40	AEGB	
Cc1cccc(OC(=O)CCl)c1	1586541	CEYGBRILXUZJEF-UHFFFAOYSA-N	184.622	2.139	50	40	AEGB	
ClCCNC1CCCCC1	1656023	VTPRDLVZYOBVJI-UHFFFAOYSA-N	161.676	2.148	50	40	AEGB	in-vitro
C[C@@H](Cl)CNCC(C)(C)C	6491826	UYYRZAPUBIMQGI-SSDOTTSWSA-N	163.692	2.249	50	40	AEGB	
CC[C@@H](Cl)CBr	100225952	VHMXKTNRBDTDRA-SCSAIBSYSA-N	171.465	2.399	50	40	AEGB	
CCOC(=O)/C(C#N)=C/C(CC)CC	1713992	YWRCYDDWFBHUGD-JXMROGBWSA-N	195.262	2.436	50	40	AEGB	
CCCCNC(C)(C)CCl	1724788	AOLVJVPXCCTZQX-UHFFFAOYSA-N	163.692	2.394	50	40	AEGB	
ClCc1cccs1	1845722	FUOHKPSBGLXIRL-UHFFFAOYSA-N	132.615	2.487	50	40	AEGB	in-vitro
ClCCC(Cl)Cl	2013254	URWHLZCXYCQNSY-UHFFFAOYSA-N	147.432	2.419	50	40	AEGB	
O=C(O)CCC[C@H]1CCSS1	13507045	BZRQFBXKSVNNDE-LURJTMIESA-N	192.305	2.395	50	40	AEGB	
Cc1cccc(CCCl)n1	31560047	DJNUMOPQYZVKEU-UHFFFAOYSA-N	155.628	2.171	50	40	AEGB	
Cc1ccc(C[C@@H](Cl)C=O)cc1	36203831	NVCGPACVQZILLV-SNVBAGLBSA-N	182.650	2.344	50	40	AEGB	
CCOC(=O)N/N=C1\CCC[C@@H](C)C1	4155661	BQQHRLCCKZNZMI-ITCPUHJZSA-N	198.266	2.299	50	40	AEGB	
COc1nc(C)cc(C)c1CCl	40886171	KMYOXZVMTBCJAT-UHFFFAOYSA-N	185.654	2.446	50	40	AEGB	in-vitro
O=C/C(=C/O)c1cc(F)cc(F)c1	100033365	JZRKYJUIUMWQSM-DAXSKMNVSA-N	184.141	2.063	50	40	AEGB	
CC(C)C(=O)O[Si](C)(C)C	169909833	IHTVTNNAFDOJBO-UHFFFAOYSA-N	160.289	2.021	50	40	AEGB	
O=C(CCCl)N1CCCCCC1	5382524	QXRXQHZJJYVHQT-UHFFFAOYSA-N	189.686	2.018	50	40	AEGB	
CCCc1cc(CCl)on1	12398326	LVXISGIJSQJQDY-UHFFFAOYSA-N	159.616	2.366	50	40	AEGB	
ClCc1ccc2nccnc2c1	34268682	JWTIXUPQTZMEOF-UHFFFAOYSA-N	178.622	2.369	50	40	AEGB	
FC(F)n1cc(CCl)cn1	575469288	LFMGZYMLKFLUIN-UHFFFAOYSA-N	166.558	2.017	50	40	AEGB	
CCCc1oncc1CCl	409424110	XOELCJOVBYEKRN-UHFFFAOYSA-N	159.616	2.366	50	40	AEGB	
COc1ccc(C#CCCl)cc1F	37470736	YWSJFBJAXPWEPM-UHFFFAOYSA-N	198.624	2.425	50	40	AEGB	
F[C@H]1[C@@H](Cl)C(F)(F)C1(F)F	80440262	TUQAWSUXFUXTIQ-NCGGTJAESA-N	180.503	2.216	50	40	AEGB	in-vitro
COc1ccc(C(=O)Cl)c(F)c1	14628889	UHLDNUXKNREILG-UHFFFAOYSA-N	188.585	2.213	50	40	AEGB	in-vitro
N#CSc1ccccc1	2037318	YXCDJKQYFBEAOU-UHFFFAOYSA-N	135.191	2.260	50	40	AEGB	in-vitro
N#CSCC(=O)c1ccccc1F	8730085	YVCOPJZRKBYVHU-UHFFFAOYSA-N	195.218	2.223	50	40	AEGB	
FC(F)(F)c1cc(CCl)on1	34321209	SOMUAVBXOGLMIQ-UHFFFAOYSA-N	185.532	2.432	50	40	AEGB	
Cc1ccc(F)c(CCl)n1	238489751	VZWFNVUJGCHDJS-UHFFFAOYSA-N	159.591	2.268	50	40	AEGB	
Cc1ccoc1-c1nnc(CCl)o1	22155569	YDEMDZSPZVWAOH-UHFFFAOYSA-N	198.609	2.377	50	40	AEGB	in-vitro
O=C(CCl)Cc1ccsc1	35087157	IITPTOODLRHTDB-UHFFFAOYSA-N	174.652	2.099	50	40	AEGB	
S=C=Nc1ccc2cn[nH]c2c1	82076908	HYZRIZHZWRLTNM-UHFFFAOYSA-N	175.216	2.297	50	40	AEGB	
CC(C)(C)c1ocnc1C(=O)Cl	16124692	VQDSWPBSJUAOAI-UHFFFAOYSA-N	187.626	2.351	50	40	AEGB	
Cc1ncncc1[C@H](C)Cl	54963489	ZMJJWLBRIWRDQJ-YFKPBYRVSA-N	156.616	2.085	50	40	AEGB	in-vitro
C[C@@H](Cl)c1nccs1	72194503	REGJKLHADIYSNP-SCSAIBSYSA-N	147.630	2.443	50	40	AEGB	
Cn1cc(CCl)c2cccnc21	141540952	OYXBZWOOPAJIST-UHFFFAOYSA-N	180.638	2.312	50	40	AEGB	
O=C(CCl)c1cccc(Cl)n1	34581048	KBZNMLMMOVMJOF-UHFFFAOYSA-N	190.029	2.157	50	40	AEGB	
N#CC=CC1CCCC1	1911540116	VMELXYJYSXXORF-UHFFFAOYSA-N	121.183	2.256	50	40	AEGB	
CO[C@@]1(C)CCC(Cl)=C(C=O)C1	116884431	JTPFQVFMAQTQMP-VIFPVBQESA-N	188.654	2.267	50	40	AEGB	
N#CC(C#N)=C1C=CC=CC=C1	4335671	KAWLLELUFONBGI-UHFFFAOYSA-N	154.172	2.012	50	40	AEGB	
C[C@@H](Cl)c1ccccn1	26515376	ZHBVIIQZRLPHGH-ZCFIWIBFSA-N	141.601	2.381	50	40	AEGB	in-vitro
COC(=O)[C@@H](Cl)CC(C)(C)C	61839123	VAJZLHNGDFOSGE-LURJTMIESA-N	178.659	2.203	50	40	AEGB	in-vitro
OC12CCC(CC1)C[C@H]2CCl	162277	PLBLHPHPJFKRDL-MGURRDGZSA-N	174.671	2.166	50	40	AEGB	
COc1cccc(C(=O)Cl)c1C	34350044	BXKZGIVKHPCDFO-UHFFFAOYSA-N	184.622	2.383	50	40	AEGB	in-vitro
C/C=C\[C@H](C#N)O[Si](C)(C)C	195760049	WWNMTKNCFACRKM-RPSMYOMKSA-N	169.300	2.306	50	40	AEGB	
C[C@H](Cl)C(=O)c1cccc(C#N)c1	39055195	UARINMNUBWFOHY-ZETCQYMHSA-N	193.633	2.368	50	40	AEGB	
C=C[C@H](C)O[Si](C)(C)C	195760400	KGURQEYMEHYOKV-ZETCQYMHSA-N	144.290	2.412	50	40	AEGB	
CN(CCCl)C1CCCC1	1726092	IXAUQYOTPRPODS-UHFFFAOYSA-N	161.676	2.100	50	40	AEGB	
N#CC(C#N)=C1C=Cc2ccccc2O1	1598422	DGOGRNQPIVBVLB-UHFFFAOYSA-N	194.193	2.393	50	40	AEGB	
CC(C)N(C(=O)[C@H](C)Cl)C(C)C	12504924	VMGBVCZLORGNTJ-QMMMGPOBSA-N	191.702	2.259	50	40	AEGB	in-vitro
N#Cc1ccc(CCl)cc1F	78676603	ZERWLGSVTSTFHN-UHFFFAOYSA-N	169.586	2.436	50	40	AEGB	in-vitro
O=N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Cl	104092309	IERNSKOZPIGLLP-YTLHQDLWSA-N	159.616	2.159	50	40	AEGB	
C[Si](C)(C)OCCl	198581385	AGQQMHKCHBWIAX-UHFFFAOYSA-N	138.670	2.034	50	40	AEGB	
CC1=CO[C@](C)(C=C(C#N)C#N)CC1	1853122	LYZBGHYQNCVQIB-NSHDSACASA-N	188.230	2.433	50	40	AEGB	
ClCCCCOC[C@@H]1CCCO1	2035005	YSJREGJETOKNLK-VIFPVBQESA-N	192.686	2.201	50	40	AEGB	
CC(C)CN(C(=O)CCl)C(C)C	37654161	NSOZCRVCADMVSW-UHFFFAOYSA-N	191.702	2.118	50	40	AEGB	in-vitro
CCCCCCC[C@H]1CC(=O)OC1=O	104257349	HKWPWGJLSWDDEC-VIFPVBQESA-N	198.262	2.437	50	40	AEGB	
N#CC1=C(C#N)C2CCC1CC2	1685640	FTWKCPDQGHRTGD-UHFFFAOYSA-N	158.204	2.150	50	40	AEGB	
O=C(Cl)c1n[nH]c2cccc(F)c12	89195828	DWWBZSUPYQHADS-UHFFFAOYSA-N	198.584	2.081	50	40	AEGB	
Cn1cc(/C=C/C=O)c2ccccc21	75576900	INFQBOHNRDDFTA-SNAWJCMRSA-N	185.226	2.390	50	40	AEGB	
Cl[C@H]1CC=CCC1	80810460	NCDVDTXDSDVLPL-LURJTMIESA-N	116.591	2.334	50	40	AEGB	in-vitro
CC(C)(Br)CCl	2564186	YEZMNTBSGDUYBT-UHFFFAOYSA-N	171.465	2.399	50	40	AEGB	
[C-]#[N+]Cc1ccc(F)cc1F	95698192	WHKBUOYYVSYCIJ-UHFFFAOYSA-N	153.131	2.384	50	40	AEGB	
C=C[C@@H](C)O[Si](C)(C)C	195760402	KGURQEYMEHYOKV-SSDOTTSWSA-N	144.290	2.412	50	40	AEGB	
CC(C)(C)c1nc(CCl)no1	164995	AIVSLDAXUIRICJ-UHFFFAOYSA-N	174.631	2.106	50	40	AEGB	in-vitro
Cl[C@@H]1Cc2cc3c(cc21)OCO3	3848199	VHFKQJKWPOUEDS-SSDOTTSWSA-N	182.606	2.251	50	40	AEGB	
O=CC1=C(Cl)CCCC1	26478646	LRPFOCFIHOUPNU-UHFFFAOYSA-N	144.601	2.252	50	40	AEGB	in-vitro
CC(F)(F)OCCBr	1083806939	ANIBRPIFCDQRQX-UHFFFAOYSA-N	188.999	2.011	50	40	AEGB	
Cl[C@H]1Cc2cc3c(cc21)OCO3	3848200	VHFKQJKWPOUEDS-ZETCQYMHSA-N	182.606	2.251	50	40	AEGB	
Cc1nn(C(C)C)cc1C(=O)Cl	39056773	IOHWFEIKEHDXAQ-UHFFFAOYSA-N	186.642	2.151	50	40	AEGB	
COc1ccc(/C=C/N=C=O)cc1	72220826	FLHKJAOGWRSYGF-VOTSOKGWSA-N	175.187	2.002	50	40	AEGB	
F[C@H]1C[C@@H](CBr)C1	606303229	QMBXRHISFBCMGJ-SYDPRGILSA-N	167.021	2.129	50	40	AEGB	
COc1ccccc1[C@@H](Cl)C#N	44298533	OLDUYWOZQPNVEK-QMMMGPOBSA-N	181.622	2.499	50	40	AEGB	
C[C@@H](Br)C(F)(F)F	2524687	WJFIVNWCJZUQMI-UWTATZPHSA-N	176.963	2.332	50	40	AEGB	
Cc1cc(C)c2c(c1)N[S@](=O)S2	5722962	AWECTPWLHFSJDF-LBPRGKRZSA-N	199.300	2.400	50	40	AEGB	
FC(F)(F)c1nccnc1CCl	228974026	FRTIQPPRWPBCTK-UHFFFAOYSA-N	196.559	2.234	50	40	AEGB	
CCO/N=C(\C)[C@@H](C)SC#N	8637763	MICHMMBWUVHBDP-TUOMEMKJSA-N	172.253	2.002	50	40	AEGB	
CC[C@@H](CCC(=O)Cl)C(=O)Cl	100005265	YMMYOFCECDLEPC-YFKPBYRVSA-N	197.061	2.324	50	40	AEGB	
Oc1ccc(CBr)cc1	2002585	MKNQNPYGAQGARI-UHFFFAOYSA-N	187.036	2.287	50	40	AEGB	
ClCc1ccncc1Cl	34383933	SJHYIPDRTOJPCP-UHFFFAOYSA-N	162.019	2.474	50	40	AEGB	
Cn1nc(C2CC2)cc1CCl	12396565	HZARJRKXBFQUKQ-UHFFFAOYSA-N	170.643	2.036	50	40	AEGB	
CCC[C@]1(C)OC[C@@H](CCl)O1	1676110	DMLQPRQFFQISDW-HTQZYQBOSA-N	178.659	2.157	50	40	AEGB	
Cc1cc(C=O)c(O)c(CCl)c1	3851101	ODGOJSMSPQCKKQ-UHFFFAOYSA-N	184.622	2.252	50	40	AEGB	
CC(=C(C#N)C#N)c1ccco1	164231	XTCKEDGNRUKLQY-UHFFFAOYSA-N	158.160	2.100	50	40	AEGB	in-vitro
Cc1ccc(CBr)nc1	83119872	ZYFPRIIDPLRSCH-UHFFFAOYSA-N	186.052	2.285	50	40	AEGB	
ClC[C@@H]1CC(c2ccco2)=NO1	217845978	UBIMCVIDURUURA-LURJTMIESA-N	185.610	2.011	50	40	AEGB	
CC(C)(C)C[C@@H]1O[C@H]1CSC#N	1690633	FMKNLHJDTBHWOA-YUMQZZPRSA-N	185.292	2.404	50	40	AEGB	
CCC[C@H](Br)C(=O)Cl	38338989	PMUTYIACIXXOGC-BYPYZUCNSA-N	199.475	2.315	50	40	AEGB	
C[C@H]1O[C@@H](CCl)OCC1(C)C	4777823	CPNYXLIWXPSHAB-RQJHMYQMSA-N	178.659	2.013	50	40	AEGB	
O=Cc1ccccc1CBr	34427903	PVIVWSKQVHYIEI-UHFFFAOYSA-N	199.047	2.394	50	40	AEGB	
O=CC1=C(Br)CCCC1	75578944	JBOQAJUQZHIPGU-UHFFFAOYSA-N	189.052	2.408	50	40	AEGB	
Cc1ccc(C(=O)CCl)o1	1669321	YEHJEWOPQMOFSP-UHFFFAOYSA-N	158.584	2.010	50	40	AEGB	
FC(F)(F)COCCCCl	19421768	USXNIUALXMBUCV-UHFFFAOYSA-N	176.565	2.194	50	40	AEGB	
Oc1ccccc1NCCCCl	58848388	AXJYNKANVJLWPM-UHFFFAOYSA-N	185.654	2.433	50	40	AEGB	
O=C(Cl)c1cnc(Cl)s1	12370742	GZSJPOBGZMUSPV-UHFFFAOYSA-N	182.031	2.176	50	40	AEGB	in-vitro
ClCc1nc(-c2ccccc2)n[nH]1	83822103	JOTISDPVDSXHCM-UHFFFAOYSA-N	193.637	2.211	50	40	AEGB	
Fc1ccc(CBr)cn1	67176015	IUJPAAPIEURDEZ-UHFFFAOYSA-N	190.015	2.116	50	40	AEGB	in-vitro
O[C@@H](CCCl)c1cccs1	14982908	YISRPYKYTBBHBK-LURJTMIESA-N	176.668	2.410	50	40	AEGB	
Cl[C@@H]1CCC[C@H]1Cl	1591985	QPIRTTQWLDPXBN-RFZPGFLSSA-N	139.025	2.385	50	40	AEGB	
Cc1nc(CCl)c(C)o1	5177593	VDYVFBKYKYWTRG-UHFFFAOYSA-N	145.589	2.030	50	40	AEGB	
CCOC(=O)[C@@H](Cl)CC(C)C	50978574	JBMHQMNLLJGXQR-ZETCQYMHSA-N	178.659	2.203	50	40	AEGB	
C[C@@H](Cl)c1ncc(Cl)cn1	402754197	DOTSZIDESSNWPC-SCSAIBSYSA-N	177.034	2.430	50	40	AEGB	
CC(C)C1(C(Cl)Cl)OCCO1	5380375	PPAOAAOIBPORHO-UHFFFAOYSA-N	199.077	2.189	50	40	AEGB	
N#C/C=C\c1cccc(F)c1	8653265	LZCORSHIMPJAAK-RQOWECAXSA-N	147.152	2.362	50	40	AEGB	
O=C(CCl)c1ccc([N+](=O)[O-])cc1	335489	YKLMHYUFNDAZAG-UHFFFAOYSA-N	199.593	2.016	50	40	AEGB	
Cc1csc(CBr)n1	83119383	HAKYXXAQICRHJQ-UHFFFAOYSA-N	192.081	2.346	50	40	AEGB	
OC1(CBr)CCCCC1	1720449	SSULDURTLPHCSZ-UHFFFAOYSA-N	193.084	2.077	50	40	AEGB	
Cc1nc(Cl)cnc1CCl	39306983	ISCIIKJEDPZOHL-UHFFFAOYSA-N	177.034	2.177	50	40	AEGB	
O=C1c2ccccc2[C@@H]1Cl	3848331	HHAIFLAITVAIKP-ZETCQYMHSA-N	152.580	2.163	50	40	AEGB	
CCc1ccc(OC)c(/C=C/C=O)c1	72220726	IORGCKGKVLXFAV-SNAWJCMRSA-N	190.242	2.470	50	40	AEGB	
Cc1ccc(/C(C#N)=C/O)cc1	101375295	DOGUTBVQUQYPFC-JXMROGBWSA-N	159.188	2.418	50	40	AEGB	
F[C@@H](Cl)CC(F)(F)F	2525504	ZGOMEYREADWKLC-UWTATZPHSA-N	150.502	2.473	50	40	AEGB	
C/C=C\C=C/COC(=O)[C@@H](C)Cl	17022343	ARYKFJXGHJRCRH-QYQDKLGYSA-N	188.654	2.289	50	40	AEGB	
N#CSCCCCBr	3203581	HDGDTYPLCWRKOK-UHFFFAOYSA-N	194.097	2.376	50	40	AEGB	
COc1ccc(CC(=O)Cl)cc1C	38301913	LKSNEELUPOSMJO-UHFFFAOYSA-N	198.649	2.312	50	40	AEGB	in-vitro
CCc1cnc(CCl)nc1Cl	95094009	KQVWZBWXDHBNQN-UHFFFAOYSA-N	191.061	2.431	50	40	AEGB	
C/C(=N\O)c1ccccc1SC#N	103669309	OHRVZETTWLUWEV-YRNVUSSQSA-N	192.243	2.458	50	40	AEGB	
CCCCOC(=O)OCCCl	223238414	DUCWAAFBMNQZLH-UHFFFAOYSA-N	180.631	2.179	50	40	AEGB	
Cn1cc(CCl)c(C(F)F)n1	757175398	HKQAUPKNLFSBHQ-UHFFFAOYSA-N	180.585	2.097	50	40	AEGB	
CC[C@@H](C)OC(=O)OCCCl	1083809154	OFYLBEBPAXXIED-ZCFIWIBFSA-N	180.631	2.177	50	40	AEGB	
Cc1cc(N(C)C)ncc1CCl	72223096	ZAVJRVPBPQWGFM-UHFFFAOYSA-N	184.670	2.195	50	40	AEGB	
OC12CC3C[C@H](C1)C(Cl)[C@H](C3)C2	100017700	SQFWORKEUYQZGS-CHBHHRONSA-N	186.682	2.165	50	40	AEGB	
CC(=C(C#N)C#N)C(C)(C)C	2575168	VFZNJHFLKDAKQD-UHFFFAOYSA-N	148.209	2.396	50	40	AEGB	
C=C(C)CN(CC)C(=O)[C@H](C)Cl	19488821	MXCLKCZZDWCTNJ-QMMMGPOBSA-N	189.686	2.038	50	40	AEGB	in-vitro
CON(C)C[C@H](Cl)c1ccccc1	1614964	AXIBUDLKMBRJFH-JTQLQIEISA-N	199.681	2.460	50	40	AEGB	
F[C@H](Cl)C(F)(F)OCCCl	4329282	AJZSRFYSFRHFDZ-VKHMYHEASA-N	196.983	2.369	50	40	AEGB	
Nc1ccc(CCl)cc1	44830272	FOMVMXBARQUECW-UHFFFAOYSA-N	141.601	2.008	50	40	AEGB	in-vitro
C[C@H]1CCCCCN1CCCl	1670749	GOORBEFYBOBUCZ-VIFPVBQESA-N	175.703	2.490	50	40	AEGB	
C=CCC[C@]1(C)OC[C@H](CCl)O1	1689310	LNSPIMKRHPCVGN-DTWKUNHWSA-N	190.670	2.323	50	40	AEGB	
CC1=C(C=O)C(=O)[C@@H](C(C)C)CC1	4266490	QWDYACXDKYCVJC-SECBINFHSA-N	180.247	2.137	50	40	AEGB	
C/C(=C\C=O)C(C)(C)C	13405013	RJURJJIOVZPPRR-FNORWQNLSA-N	126.199	2.178	50	40	AEGB	
C=CC(=O)O[C@H]1CCCC[C@@H]1Cl	113694487	NGDOLKDENPCYIS-YUMQZZPRSA-N	188.654	2.266	50	40	AEGB	
COC(=O)C(C)(C)CCCCl	34186747	AJPFLSFTFNACIR-UHFFFAOYSA-N	178.659	2.205	50	40	AEGB	
N#CC1=C[C@H]2C=C[C@H]3C=C[C@@H]1[C@H]32	45074615	FGPAZYJAFJEYOV-GISOBZBCSA-N	155.200	2.054	50	40	AEGB	
Nc1ccc(CBr)cc1	75577040	ASSMPDZEDVTRKG-UHFFFAOYSA-N	186.052	2.164	50	40	AEGB	in-vitro
OC12CC3C[C@@H](C1)[C@H](Cl)[C@H](C3)C2	100017697	SQFWORKEUYQZGS-DVUTWVINSA-N	186.682	2.165	50	40	AEGB	
C[C@H]1CCC(=O)[C@@H](Br)C1	39236606	ZGKHYOAPWMMURT-WDSKDSINSA-N	191.068	2.139	50	40	AEGB	in-vitro
N#CC1=C[C@@H]2C=C[C@H]3C=C[C@H]1[C@H]32	45074614	FGPAZYJAFJEYOV-OINDSLJFSA-N	155.200	2.054	50	40	AEGB	
Cc1ccnc(Cl)c1C(=O)Cl	34569546	VXUNVJXFAVQYBM-UHFFFAOYSA-N	190.029	2.422	50	40	AEGB	
ClCc1ccc(-c2ncon2)cc1	1582935368	UIEIRWVVXZZIRL-UHFFFAOYSA-N	194.621	2.475	50	40	AEGB	
C/C(C=O)=C/c1ccc(N(C)C)cc1	1590601	ZZNDWTMGGCTTSC-NTMALXAHSA-N	189.258	2.355	50	40	AEGB	
CC[N+](CC)(CC)CCCCl	139751463	HLTMZJRQIYCHMP-UHFFFAOYSA-N	178.727	2.492	50	40	AEGB	
CCn1c(CCl)nc2ccncc21	34216700	LMJJZSPMCBFYNU-UHFFFAOYSA-N	195.653	2.190	50	40	AEGB	
COC(=O)[C@@H](Cl)c1ccc(C)cc1	21992355	MVZMKKYIWRRMOQ-VIFPVBQESA-N	198.649	2.448	50	40	AEGB	
COC(=O)Cc1ccc(CCl)cc1	39249058	NLDHYHVAHJGITR-UHFFFAOYSA-N	198.649	2.141	50	40	AEGB	
Cc1cc(CCl)cnc1F	95760980	KSRDQYPCABFHRP-UHFFFAOYSA-N	159.591	2.268	50	40	AEGB	
ClCCCCOC[C@H]1CCCO1	1748841	YSJREGJETOKNLK-SECBINFHSA-N	192.686	2.201	50	40	AEGB	
O=C(Cl)Cc1noc2ccccc12	20248502	KQCFJNRUTPMOID-UHFFFAOYSA-N	195.605	2.136	50	40	AEGB	
COc1cccc(C(=O)CCl)c1	38886299	SUDQKWMFEWFEJI-UHFFFAOYSA-N	184.622	2.117	50	40	AEGB	
C[C@H]1CC(Br)C[C@H](C)O1	83255115	JARBCNALBGKFFF-WDSKDSINSA-N	193.084	2.337	50	40	AEGB	
C#CCCCO[Si](C)(C)C	195756268	GNMBHMZOJBZFNJ-UHFFFAOYSA-N	156.301	2.251	50	40	AEGB	
Cc1cc(C(=O)Cl)c(C)c(C)n1	685937037	IKSFIIXNEOAGGQ-UHFFFAOYSA-N	183.638	2.386	50	40	AEGB	
CCCC/C=C/C(=O)Cl	2244272	REDBNPUNYZYECN-AATRIKPKSA-N	146.617	2.498	50	40	AEGB	
C[C@H](Cl)c1ccncc1	26515374	XBTYVRGJFWXDCX-LURJTMIESA-N	141.601	2.381	50	40	AEGB	in-vitro
ClCCO[C@H]1C[C@@H]2CC[C@@H]1C2	104049301	WNRMPLQXQBRSGN-HLTSFMKQSA-N	174.671	2.430	50	40	AEGB	
O=C(Cl)c1cc(-c2ccco2)on1	4200673	RCDNHOYZXMTBMF-UHFFFAOYSA-N	197.577	2.314	50	40	AEGB	
CN1CCc2cc(C(=O)Cl)ccc21	98213519	MOUUGFNSTNVGID-UHFFFAOYSA-N	195.649	2.058	50	40	AEGB	
O=C(Cl)c1ccc(F)s1	39056180	HCRATYVLHABEFF-UHFFFAOYSA-N	164.588	2.266	50	40	AEGB	
C/C=C1\SC(/C(C#N)=C/C)=NC1=O	5382387	GKIHLOJRSNKAKO-JOVCIAKGSA-N	192.243	2.032	50	40	AEGB	
F[C@@H](Cl)OCC(F)(F)F	2389410	NAFLDUPBEDISHL-UWTATZPHSA-N	166.501	2.057	50	40	AEGB	
CC(C)n1ccc(C(=O)CCl)c1	20131640	JWTWLNKVYCHPCT-UHFFFAOYSA-N	185.654	2.491	50	40	AEGB	
N#Cc1ccc(F)c(CCl)c1	82864436	AUIZISDZCWEVNC-UHFFFAOYSA-N	169.586	2.436	50	40	AEGB	
ClC[C@H]1CCN1Cc1ccccc1	83309289	DQFIDMDGLCJQFO-LLVKDONJSA-N	195.693	2.500	50	40	AEGB	
CCCC(=O)O[Si](C)(C)C	195781236	YOXUKTJZXUYZMV-UHFFFAOYSA-N	160.289	2.165	50	40	AEGB	
N#Cc1ccc(CBr)o1	34500455	IRWXGDBFGWSFSF-UHFFFAOYSA-N	186.008	2.046	50	40	AEGB	
CC(=O)Nc1ccc(N=C=S)cc1	3882604	OSGLRYINFGRXPC-UHFFFAOYSA-N	192.243	2.379	50	40	AEGB	in-vitro
O=c1[nH]c(CCl)cc2ccccc12	57218608	YLUCNJSAEZTKQU-UHFFFAOYSA-N	193.633	2.267	50	40	AEGB	in-vitro
[C-]#[N+]Cc1ccccc1C	95697945	OUGPEGDSDBHEKT-UHFFFAOYSA-N	131.178	2.414	50	40	AEGB	
O=C1C[C@@H](Cl)C(=O)c2ccccc21	14982374	YFPSHVXMVUFALO-MRVPVSSYSA-N	194.617	2.063	50	40	AEGB	
F[C@H](Cl)OCC(F)(F)F	4334593	NAFLDUPBEDISHL-REOHCLBHSA-N	166.501	2.057	50	40	AEGB	
Cl[C@@H]1CCN[C@H]2CCCC[C@@H]21	4127260	ZWRZSBDOSLQQRX-HLTSFMKQSA-N	173.687	2.146	50	40	AEGB	
C[C@H](Br)CCC#N	5734884	HCHUIWDKAUWPJE-YFKPBYRVSA-N	162.030	2.074	50	40	AEGB	
N#CC1=C2CCCC[C@@H]2SC1=O	6317343	JODIJSTTYTWQMZ-QMMMGPOBSA-N	179.244	2.023	50	40	AEGB	
CC1(C)[C@H]2CC[C@@](C)(C2)[C@]1(O)C#N	102901124	BTQHVUOBALCHNI-LSJOCFKGSA-N	179.263	2.087	50	40	AEGB	
Fc1cccc(CNCCCl)c1	1657373	AZBFIUISPZBIKJ-UHFFFAOYSA-N	187.645	2.154	50	40	AEGB	
Fc1ccc(CCN=C=S)cc1	19840564	ZNXRFHTVDQAAAB-UHFFFAOYSA-N	181.235	2.471	50	40	AEGB	in-vitro
C[C@@H](Cl)C(=O)c1ccco1	32005842	SECAUKYYYLEWRY-RXMQYKEDSA-N	158.584	2.090	50	40	AEGB	
ClCc1nc(C2CCCC2)no1	34376216	SEEFYWJCIAOHGP-UHFFFAOYSA-N	186.642	2.466	50	40	AEGB	in-vitro
O=C1O[C@@H](Cl)C=C1c1ccccc1	5432505	LVNAJBMTQXZMGT-SECBINFHSA-N	194.617	2.192	50	40	AEGB	
CC1=CC[P@](=O)(Cl)C1	95670938	SEELALQWTFWSMS-MRVPVSSYSA-N	150.545	2.463	50	40	AEGB	
[C-]#[N+]CCCOCCCC	100521615	WITMFOURWMAKTG-UHFFFAOYSA-N	141.214	2.112	50	40	AEGB	
C/C(C=O)=C\c1cccc([N+](=O)[O-])c1	38880550	PDCBGZBUKZHURR-VMPITWQZSA-N	191.186	2.197	50	40	AEGB	in-vitro
Fc1cnccc1CBr	79248517	KTARAIMDJZXDFM-UHFFFAOYSA-N	190.015	2.116	50	40	AEGB	in-vitro
CC(=CC=O)C(C)(C)C	2049241043	RJURJJIOVZPPRR-UHFFFAOYSA-N	126.199	2.178	50	40	AEGB	
S=C=N[C@@H]1C[C@H]2CC[C@H]1C2	100070030	RBGDFYZLQKZUCO-BIIVOSGPSA-N	153.250	2.278	50	40	AEGB	in-vitro
N#C/C=C(\N)c1ccc(Cl)cc1	5613824	KJYOCBARUBWAHD-UITAMQMPSA-N	178.622	2.163	50	40	AEGB	in-vitro
COc1ccccc1/C=C\C#N	5722941	YEVWUIYSLYVPHB-XQRVVYSFSA-N	159.188	2.232	50	40	AEGB	
CN(C)/C=C(/C#N)c1ccc(F)cc1	12341200	UPUOACPCFNKEMQ-NTMALXAHSA-N	190.221	2.252	50	40	AEGB	
O=C/C(Cl)=C/Nc1ccccc1	104383209	XODOFJPDDSOVBU-VURMDHGXSA-N	181.622	2.378	50	40	AEGB	in-vitro
COc1ccccc1CCl	2528046	UAWVMPOAIVZWFQ-UHFFFAOYSA-N	156.612	2.434	50	40	AEGB	in-vitro
O=C(O)[C@@H](Cl)[C@H]1C[C@@H]2CC[C@H]1C2	3096248	ZPMDCMFQFOOYLS-KVPKETBZSA-N	188.654	2.115	50	40	AEGB	
O=C(Cl)[C@@H]1Cc2ccccc21	39056333	FRRRANOWXWHKJE-MRVPVSSYSA-N	166.607	2.092	50	40	AEGB	
CCC(CC)(CC)NC(=O)CCl	83388096	RPNMFURQKJECLZ-UHFFFAOYSA-N	191.702	2.310	50	40	AEGB	
O=C/C(Cl)=C\Nc1ccccc1	17316409	XODOFJPDDSOVBU-SOFGYWHQSA-N	181.622	2.378	50	40	AEGB	
O=Cc1ccccc1CCCl	62718355	QCRVEOGRMZVRPU-UHFFFAOYSA-N	168.623	2.280	50	40	AEGB	
Oc1ccccc1OCCCCl	82131743	OGDLFMSUWQSMBZ-UHFFFAOYSA-N	186.638	2.400	50	40	AEGB	
O=C(Cl)c1cc2cc(O)ccc2[nH]1	98213515	VVAUVZGIIMDQFF-UHFFFAOYSA-N	195.605	2.253	50	40	AEGB	
O=C(Cl)N1CCc2ccccc21	39056599	BHVDNQHSQZMQMJ-UHFFFAOYSA-N	181.622	2.408	50	40	AEGB	in-vitro
[C-]#[N+][C@H]1CCCC[C@H]1C	60247602	PVTKDRMRAYXRAD-SFYZADRCSA-N	123.199	2.484	50	40	AEGB	
C[C@@H](Cl)C[C@H]1[C@@H](CN)C1(C)C	507256	SNLLQYROABBGMM-GJMOJQLCSA-N	175.703	2.235	50	40	AEGB	
F[C@@H](Cl)[C@@]1(F)C=CC(F)(F)O1	68591026	WDJDFSMLOAZKIN-QWWZWVQMSA-N	190.523	2.366	50	40	AEGB	
N#C/C(=C/O)c1cccs1	100469123	FQMRUXPSESSECC-WAYWQWQTSA-N	151.190	2.171	50	40	AEGB	
N#C/C(=C/O)c1ccccc1	100021718	GQNBRISQKUALEP-CLFYSBASSA-N	145.161	2.109	50	40	AEGB	
CC(C)C[C@@]1(C)OC[C@H](CCl)O1	525121	QNIIELOLZIKGNW-IUCAKERBSA-N	192.686	2.403	50	40	AEGB	in-vitro
N#C/C(=C\C1CCCCC1)C(=O)O	59966617	VDDOTYDLBYKQQY-RMKNXTFCSA-N	179.219	2.101	50	40	AEGB	
N#CC1=CC[C@H]2CC[C@H]1C2	100436941	VYGLDVIPEABEQL-SFYZADRCSA-N	133.194	2.256	50	40	AEGB	
F[C@H](Cl)[C@@]1(F)C=CC(F)(F)O1	68591037	WDJDFSMLOAZKIN-IUYQGCFVSA-N	190.523	2.366	50	40	AEGB	
O=C(CCl)C1CCCCC1	32005992	XQRGPXLSPCQVBC-UHFFFAOYSA-N	160.644	2.375	50	40	AEGB	in-vitro
O[C@@H](CCl)c1ccc(F)cc1	36156259	VTCREIYEGAGUDS-QMMMGPOBSA-N	174.602	2.098	50	40	AEGB	in-vitro
O=C(CCCCCl)c1ncco1	43210512	JGTYCPLCRGZAIM-UHFFFAOYSA-N	187.626	2.266	50	40	AEGB	
CCn1ncc(Cl)c1CCl	256049943	CALXDBDYEPXEJG-UHFFFAOYSA-N	179.050	2.295	50	40	AEGB	
CCN(CCCl)CCCCl	1593495	DBMATZRZGJCHJD-UHFFFAOYSA-N	184.110	2.176	50	40	AEGB	
CC(F)(F)C(Cl)Cl	100076155	LEDXZTGCBJWOFY-UHFFFAOYSA-N	148.967	2.445	50	40	AEGB	
CC[C@H](C)OC(=O)OCCCl	1083809153	OFYLBEBPAXXIED-LURJTMIESA-N	180.631	2.177	50	40	AEGB	
O=C/C=C(\Cl)C1CCCC1	25580743	VFPGJJZNDZYUSM-YVMONPNESA-N	158.628	2.498	50	40	AEGB	
CCCCOCCCCl	37093545	PPNRREMIPBRCCD-UHFFFAOYSA-N	150.649	2.432	50	40	AEGB	
O=C=N/C=C/c1cccc(F)c1	72220822	ZWXDORRYQIBEQL-SNAWJCMRSA-N	163.151	2.132	50	40	AEGB	
O=C(CCl)Cc1cccc(F)c1	19440612	VUFXQHYUTJYLLO-UHFFFAOYSA-N	186.613	2.176	50	40	AEGB	
Cc1ccc(CCl)nc1C	95761024	YQXBFJCQDUWQAV-UHFFFAOYSA-N	155.628	2.437	50	40	AEGB	
O[C@H](CCl)c1ccc(F)c(F)c1	12506205	RYOLLNVCYSUXCP-MRVPVSSYSA-N	192.592	2.237	50	40	AEGB	
O=CC=C1CCCCC1	38281952	WJMVPTHPBIDWHB-UHFFFAOYSA-N	124.183	2.076	50	40	AEGB	in-vitro
N#C[C@H](Cl)c1ccccc1	39216104	WZSOEUAQKKEHFE-QMMMGPOBSA-N	151.596	2.490	50	40	AEGB	
N#CC(C#N)=Cc1ccc(Cl)o1	1598424	NWQSNLTVBGLWCR-UHFFFAOYSA-N	178.578	2.364	50	40	AEGB	
N#CC1=Cc2ccccc2C1	4273543	CZDPRZRDSRPXDF-UHFFFAOYSA-N	141.173	2.150	50	40	AEGB	
Cc1cccc(N=C=S)n1	19722044	STVKTHJPLIROOR-UHFFFAOYSA-N	150.206	2.124	50	40	AEGB	
ClC/C=C/Br	96029520	XSESUBJBCQPSAT-OWOJBTEDSA-N	155.422	2.134	50	40	AEGB	
CC(C)(N=C=O)c1ccccc1	33373160	ZPSNFVVCGMSWID-UHFFFAOYSA-N	161.204	2.258	50	40	AEGB	in-vitro
Cc1cc(C(=O)CCl)c(C)o1	83822432	FFAYFFLXRCZMHS-UHFFFAOYSA-N	172.611	2.318	50	40	AEGB	
O=C(Cl)/C=C\c1ccccc1	14652241	WOGITNXCNOTRLK-SREVYHEPSA-N	166.607	2.465	50	40	AEGB	
Cc1cc(/C=C\C#N)cc(C)c1N	77271120	JNRBSZUSHVFWIK-ARJAWSKDSA-N	172.231	2.422	50	40	AEGB	in-vitro
O=C=N/C=C\c1cccc(F)c1	258367429	ZWXDORRYQIBEQL-PLNGDYQASA-N	163.151	2.132	50	40	AEGB	
FC(F)(F)Cn1ccc(CCl)n1	67176125	BKOWHECXKSAYNB-UHFFFAOYSA-N	198.575	2.184	50	40	AEGB	in-vitro
ClC/C=C/c1cccnc1	78750430	BLXRWEPLTXHENJ-HNQUOIGGSA-N	153.612	2.334	50	40	AEGB	
Cc1ccc(C(=O)Cl)c(C)n1	40538569	JPYMVRPRKYQZHS-UHFFFAOYSA-N	169.611	2.077	50	40	AEGB	
COc1ccc(C)cc1/C=C/C=O	72220725	HVRCJYLNMHSBBM-ONEGZZNKSA-N	176.215	2.216	50	40	AEGB	
Cc1cc(C(=O)CCl)c(C)[nH]1	8754426	RUBYBHQAISBPNU-UHFFFAOYSA-N	171.627	2.053	50	40	AEGB	
Cc1nc(C)c(C(=O)Cl)s1	34336852	JTOMQXXKQNNQIM-UHFFFAOYSA-N	175.640	2.139	50	40	AEGB	
CCc1ccc(/C(N)=C\C#N)cc1	16051346	AGVQRABGGDOKMX-YRNVUSSQSA-N	172.231	2.072	50	40	AEGB	in-vitro
O=C(Cl)c1ccc(C(=O)Cl)o1	100293383	PDSULNVJASBMLP-UHFFFAOYSA-N	192.985	2.038	50	40	AEGB	in-vitro
C[C@@H](CCl)N1CCCCCC1	1593268	LJTIJCGVMMYVBR-VIFPVBQESA-N	175.703	2.490	50	40	AEGB	
CCCCCSC#N	2507892	HHAHSQJCFOPSFV-UHFFFAOYSA-N	129.228	2.391	50	40	AEGB	
CCCC1=NO[C@H](CCl)C1	69969751	BPNOFBCDIXZPTH-ZETCQYMHSA-N	161.632	2.170	50	40	AEGB	
C/C=C\C=C\COC(=O)[C@@H](C)Cl	17022346	ARYKFJXGHJRCRH-ITBUHSSWSA-N	188.654	2.289	50	40	AEGB	
CCOP(=O)(F)F	95670695	CNDDYKSDJBKASR-UHFFFAOYSA-N	130.030	2.070	50	40	AEGB	
CCOc1cc(SC#N)ccc1N	238271567	QWTUAFXRBULPFL-UHFFFAOYSA-N	194.259	2.241	50	40	AEGB	
Cc1ccc(/C(C=O)=C/O)cc1	153812	FKRKKHBTIIWVGU-UXBLZVDNSA-N	162.188	2.093	50	40	AEGB	in-vitro
CC[C@H](C)COC(=O)Cl	34141531	MQNLOOJFAVAAKD-YFKPBYRVSA-N	150.605	2.408	50	40	AEGB	
C/C(C=O)=C/[C@@H]1CC=CCC1	4429373	ODNDASWPVKXVPJ-UJICNMFASA-N	150.221	2.488	50	40	AEGB	
CCCc1nc(C)cc(N=C=S)n1	8731065	KKISMMZGDVWUBV-UHFFFAOYSA-N	193.275	2.472	50	40	AEGB	
C=CC(=O)O[C@@H]1CCCC[C@H]1Cl	113694489	NGDOLKDENPCYIS-HTQZYQBOSA-N	188.654	2.266	50	40	AEGB	
O=C/C=C\c1c(F)cccc1F	95644365	ABQCTYYKKNJKPK-IHWYPQMZSA-N	168.142	2.177	50	40	AEGB	
C#CCCCCCCl	1705537	JHURUSBTPUNQSC-UHFFFAOYSA-N	130.618	2.419	50	40	AEGB	in-vitro
FC(F)(F)SCCCl	71792912	WTQNKOJNJFWSRP-UHFFFAOYSA-N	164.579	2.478	50	40	AEGB	
CC1(C)CCC[C@H](Cl)C1=O	76593848	YNKHGQCEYPHDPV-LURJTMIESA-N	160.644	2.373	50	40	AEGB	
CC1(C)[C@H]2CC[C@](C)(C2)[C@]1(O)C#N	8385274	BTQHVUOBALCHNI-GDPRMGEGSA-N	179.263	2.087	50	40	AEGB	
N#CC1=Cc2cc(F)ccc2OC1	75882131	GBDNHRQBJXTNCR-UHFFFAOYSA-N	175.162	2.125	50	40	AEGB	
CN(C)/C=C(\C#N)c1ccccc1F	49806561	GJMTYJOZYAORQU-CMDGGOBGSA-N	190.221	2.252	50	40	AEGB	in-vitro
OCCS(F)(F)(F)(F)F	97957400	KQJRFDAMLGLSOX-UHFFFAOYSA-N	172.118	2.277	50	40	AEGB	
S=C=Nc1ncccc1Cl	98175282	BTWUGFRXADMVPL-UHFFFAOYSA-N	170.624	2.469	50	40	AEGB	
N#C/C=C/c1ccc([N+](=O)[O-])s1	1584535	JVIYUYUAYBNEQU-OWOJBTEDSA-N	180.188	2.193	50	40	AEGB	
Cn1nccc1-c1cccc(N=C=O)c1	12370650	ZFRFBJVFEQIMLM-UHFFFAOYSA-N	199.213	2.054	50	40	AEGB	in-vitro
ClCc1ccc2nccn2c1	142689675	STPDYYNTWBIRNR-UHFFFAOYSA-N	166.611	2.073	50	40	AEGB	
Cl[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1Cl	104105484	ZFSMTYOLNXPHEU-GBNDHIKLSA-N	163.047	2.407	50	40	AEGB	
CC(C)OC(=O)OCCCCl	157288290	VRCHKUZTYUMXGG-UHFFFAOYSA-N	180.631	2.177	50	40	AEGB	
CCc1cc(SC#N)ccc1N	3294772	MYASWBMTJGBRHC-UHFFFAOYSA-N	178.260	2.404	50	40	AEGB	
ClCCCNCCc1ccccc1	3647263	RTSLIXBWXGFKKQ-UHFFFAOYSA-N	197.709	2.448	50	40	AEGB	
CCCOCCCCCl	34077592	OALUYQSETGYGTL-UHFFFAOYSA-N	150.649	2.432	50	40	AEGB	
Oc1cccc(N=C=S)c1	336175	BWZDLMGVEVSNBI-UHFFFAOYSA-N	151.190	2.127	50	40	AEGB	
S=C=NC/C(Cl)=C\Cl	8665400	BIBDBPVXUDWPHA-DAFODLJHSA-N	168.048	2.408	50	40	AEGB	
N#C/C=C/c1cccc([N+](=O)[O-])c1	1619312	YZJNQXWSVRISBC-DUXPYHPUSA-N	174.159	2.132	50	40	AEGB	
N#CC(C#N)=C1CCOc2ccccc21	1701045	LASRYGWUQDOKIF-UHFFFAOYSA-N	196.209	2.270	50	40	AEGB	
C=C(C(=O)Cl)c1ccccc1	39246862	ZNOOSYZCRJQUNO-UHFFFAOYSA-N	166.607	2.465	50	40	AEGB	
C[Si](C)(CCl)CCCCO	195760517	QZFNUVPHRBVWRF-UHFFFAOYSA-N	180.751	2.245	50	40	AEGB	
O=C=Nc1ccc(Cl)c(F)c1	35973673	LCBGIAVOILEJRZ-UHFFFAOYSA-N	171.558	2.446	50	40	AEGB	
N#C[C@@H](Cl)c1ccc2c(c1)OCO2	38220914	ISJYCMNPIDRHSH-SSDOTTSWSA-N	195.605	2.219	50	40	AEGB	
Cl[C@H]1OCCC1(Cl)Cl	2512314	OPMAAFQNIDDDAS-VKHMYHEASA-N	175.442	2.146	50	40	AEGB	
CCC(CC)=NNC(=O)CC(C)C	5427706	ACXDFDRWWADICH-UHFFFAOYSA-N	184.283	2.325	50	40	AEGB	
Cc1ccnc(NCCCl)c1	83137872	WFOPKKYRQTWGHM-UHFFFAOYSA-N	170.643	2.041	50	40	AEGB	
C/C(=C/C=O)CC(C)C	6645410	FYCVUMXOMJHAEM-YWEYNIOJSA-N	126.199	2.178	50	40	AEGB	biogenic
Cc1nc2sccn2c1CCl	31772031	MILSXGFDRFWACP-UHFFFAOYSA-N	186.667	2.443	50	40	AEGB	
Cc1cc(C=C(C#N)C#N)co1	1888999962	MWPFGEJOHOIVRY-UHFFFAOYSA-N	158.160	2.019	50	40	AEGB	
Cc1cc([C@H](C)N=C=O)c(C)o1	62822217	LTUANKOTZLSCIH-ZETCQYMHSA-N	165.192	2.293	50	40	AEGB	in-vitro
FC(F)(F)COC(Cl)Cl	100475299	WYRZXDVGXFLKKU-UHFFFAOYSA-N	182.956	2.327	50	40	AEGB	
Cc1ccccc1C[C@H](Cl)CO	2045247	XIVISKWJQOLFTK-JTQLQIEISA-N	184.666	2.137	50	40	AEGB	
ClC[C@H]1CO[C@@H](c2ccccc2)O1	530293	NPLBOQRGKONXBX-VHSXEESVSA-N	198.649	2.339	50	40	AEGB	
O=C=Nc1ccc2occc2c1	2548443	NXBDATRNNMSVRF-UHFFFAOYSA-N	159.144	2.400	50	40	AEGB	
O=C/C(Cl)=C\c1ccccc1	2017335	SARRRAKOHPKFBW-RMKNXTFCSA-N	166.607	2.465	50	40	AEGB	
C[C@@H]1CCCC(C=O)=C1Cl	96373446	BOVDDPPMDQZJGA-ZCFIWIBFSA-N	158.628	2.498	50	40	AEGB	
[C-]#[N+]C1CCC([N+]#[C-])CC1	95686596	SKOHRERCQZYWOP-UHFFFAOYSA-N	134.182	2.136	50	40	AEGB	
COc1ccc(CC(=O)Cl)c(C)c1	98213483	PZGKFFCKJBDANL-UHFFFAOYSA-N	198.649	2.312	50	40	AEGB	
ClCc1ccccc1-n1cncn1	20435824	BRDPHGWNETYLJG-UHFFFAOYSA-N	193.637	2.006	50	40	AEGB	
ClC[C@@H]1Cc2ccccc2O1	37405168	SNLLWTRIHKNPQX-QMMMGPOBSA-N	168.623	2.229	50	40	AEGB	in-vitro
ClCc1nc(C2CCC2)no1	83119832	BCCZZVBQASSARF-UHFFFAOYSA-N	172.615	2.076	50	40	AEGB	in-vitro
CCCCOCCOCCCl	1850906	DZWMJKOIMKFXIJ-UHFFFAOYSA-N	180.675	2.059	50	40	AEGB	
C[C@H](Cl)C(=O)OC1CCCCC1	1597340	OHRNNGVUQOZQNK-ZETCQYMHSA-N	190.670	2.490	50	40	AEGB	
O=C(Cl)[C@@H]1CCc2ccccc2O1	2527524	UXOHRZNOVPCNMD-VIFPVBQESA-N	196.633	2.146	50	40	AEGB	
Cc1cc(C(=O)CCl)c(C)n1C	3290394	KINLEKFUTAPEHI-UHFFFAOYSA-N	185.654	2.063	50	40	AEGB	
CC1(NC(=O)CCl)CCCCC1	3124459	YWDVYXKFITXULU-UHFFFAOYSA-N	189.686	2.064	50	40	AEGB	
Cc1nc(Cl)cc(CCl)n1	26510228	RAEIRFVKAXHLHO-UHFFFAOYSA-N	177.034	2.177	50	40	AEGB	
CC(C)C/C=C(\C#N)C(=O)OC(C)C	1713990	VHVNIISEZMWULA-UXBLZVDNSA-N	195.262	2.434	50	40	AEGB	
O=C(Cl)c1cccc2c1OCC2	4277230	KNBGUBMIJPZGHF-UHFFFAOYSA-N	182.606	2.001	50	40	AEGB	
N#CC(C#N)=C/C=C\c1ccco1	16890848	HIXUGQBZGSJHGT-RJRFIUFISA-N	170.171	2.266	50	40	AEGB	
O=C/C=C/CCOCc1ccccc1	1613256	DAKRLPWXYICTFY-GORDUTHDSA-N	190.242	2.348	50	40	AEGB	
Cn1nc(C(F)(F)F)cc1CCl	72209697	QQYVVMPHHOUVET-UHFFFAOYSA-N	198.575	2.178	50	40	AEGB	
COc1csc(C(=O)Cl)c1	21982418	GERVICHTBYEZJE-UHFFFAOYSA-N	176.624	2.136	50	40	AEGB	
CCc1cc(Cl)nc(CCl)n1	62701736	GLKQJZYHILVROP-UHFFFAOYSA-N	191.061	2.431	50	40	AEGB	in-vitro
N#CC(=C1CCNCC1)c1ccccc1	91301420	OELAWOJFKUGDSV-UHFFFAOYSA-N	198.269	2.347	50	40	AEGB	
C[Si](C)(C)O[C@H](CCl)CC#N	195893015	FLYSOKSACGLOAO-ZETCQYMHSA-N	191.734	2.359	50	40	AEGB	
ClCCc1ncc2ccccc2n1	307011841	KGDGYCZYYSTZGY-UHFFFAOYSA-N	192.649	2.411	50	40	AEGB	
CC(C)C[C@]1(C)OC[C@H](CCl)O1	525123	QNIIELOLZIKGNW-DTWKUNHWSA-N	192.686	2.403	50	40	AEGB	in-vitro
CCCCCC/C(C)=N\NC(N)=O	5742470	COGNJHDCPSNYEH-FLIBITNWSA-N	185.271	2.001	50	40	AEGB	
C[C@@H]1CCc2n[nH]c(CCl)c2C1	306865477	MYSVCLFGEIVKSJ-ZCFIWIBFSA-N	184.670	2.273	50	40	AEGB	
[C-]#[N+]Cc1ccccc1OC	95697966	NSFTVQFJYCRFKI-UHFFFAOYSA-N	147.177	2.114	50	40	AEGB	
O=C=Nc1cc(F)cc(Cl)c1	139972576	WFBXSNNMRKLWAV-UHFFFAOYSA-N	171.558	2.446	50	40	AEGB	
CC[C@]1(c2ccccc2)CC(=O)OO1	68571837	GBTDDJODXILPCM-LLVKDONJSA-N	192.214	2.170	50	40	AEGB	
CC1=C(C=O)C(=O)[C@H](C(C)C)CC1	4266488	QWDYACXDKYCVJC-VIFPVBQESA-N	180.247	2.137	50	40	AEGB	
C=C(C)C(=O)OCCCCCl	5613178	ADKSXOTUSDQWFO-UHFFFAOYSA-N	176.643	2.125	50	40	AEGB	
C[C@@H](Cl)CCN1CCCCC1	6491715	FLPDTRQIIPLGLX-SECBINFHSA-N	175.703	2.490	50	40	AEGB	
CC(C)Cc1nnc(CCl)o1	37510696	CPDGQEXQTVITAY-UHFFFAOYSA-N	174.631	2.007	50	40	AEGB	
ClCc1cnc2ccccn12	12546268	LZWQRJCTKNIQFT-UHFFFAOYSA-N	166.611	2.073	50	40	AEGB	
N#C/C(=C/O)c1ccccc1F	100026005	BQLUJKMPTGFUML-SREVYHEPSA-N	163.151	2.248	50	40	AEGB	
CCCC/C=C/C=C\C=O	13545912	ZHHYXNZJDGDGPJ-MDAAKZFYSA-N	138.210	2.488	50	40	AEGB	endogenous,in-man
CC(C)[C@H](C)Cl	57218583	JMTRCXPSDMMAGM-YFKPBYRVSA-N	106.596	2.270	50	40	AEGB	in-vitro
COc1ccc2nc(CCl)[nH]c2c1	8737739	WZEWEZMUYDNMCZ-UHFFFAOYSA-N	196.637	2.310	50	40	AEGB	
COc1ccc([C@H](Cl)C#N)cc1	34581861	MSXLEJMVOPGKCU-SECBINFHSA-N	181.622	2.499	50	40	AEGB	
O=C/C=C/c1ccc(F)c(F)c1	41168153	UXOVXJKIOBNVRA-OWOJBTEDSA-N	168.142	2.177	50	40	AEGB	in-vitro
O[C](CCl)c1ccc(F)c(F)c1	1560405344	JDUKBFFXPDIYDN-UHFFFAOYSA-N	191.584	2.456	50	40	AEGB	
ClCC[n+]1cccc2ccccc21	1718818	CFIPRAGJFFYXFC-UHFFFAOYSA-N	192.669	2.366	50	40	AEGB	
CCC[C@@H]1CCCC/C1=N\NC(N)=O	17159494	MEVUKWHWBFPUFV-WLDSJTMESA-N	197.282	2.001	50	40	AEGB	
N#C[C@@H](Cl)c1ccccc1	39216103	WZSOEUAQKKEHFE-MRVPVSSYSA-N	151.596	2.490	50	40	AEGB	
C[C@@H]1CCC(=O)[C@@H](Br)C1	39236605	ZGKHYOAPWMMURT-RITPCOANSA-N	191.068	2.139	50	40	AEGB	in-vitro
FC(F)=CCBr	71618849	BGRGXBWMPNEZMS-UHFFFAOYSA-N	156.957	2.162	50	40	AEGB	
CC(=O)N(C)/N=N\c1ccc(C)cc1	100252286	YWZSIEORQZIPIT-QXMHVHEDSA-N	191.234	2.472	50	40	AEGB	
ClCCN1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C1	4720965	YIOQLFHUWMVYAB-LMLFDSFASA-N	199.725	2.203	50	40	AEGB	
O=N[C@H]1CCCC[C@@H]1Cl	5004385	IWTDSJVXBQXLLR-WDSKDSINSA-N	147.605	2.303	50	40	AEGB	
CCCCSC[C@@H](O)CCl	5553278	OUMUXJOBEAQFSA-ZETCQYMHSA-N	182.716	2.119	50	40	AEGB	
O=C(Cl)c1cccc(S)c1	39056400	NDJYILWWNRCFKX-UHFFFAOYSA-N	172.636	2.354	50	40	AEGB	
FC(F)(F)Cn1nccc1CCl	72209454	HAKYEXHJXOSYEH-UHFFFAOYSA-N	198.575	2.184	50	40	AEGB	
CC1(CCl)CC1	78749735	MWWLGISFTGYHRH-UHFFFAOYSA-N	104.580	2.025	50	40	AEGB	
CCN(CC)CCCCCl	43646573	GLZWJURLFCQSQO-UHFFFAOYSA-N	163.692	2.347	50	40	AEGB	
O[C@H](CCl)C1CCCCC1	96373337	AGWIKTWYCHQYTC-MRVPVSSYSA-N	162.660	2.166	50	40	AEGB	
Cl[C@@H]1CCN[C@H]2CCCC[C@H]21	269667	ZWRZSBDOSLQQRX-YIZRAAEISA-N	173.687	2.146	50	40	AEGB	
N#C/C(=C/C=C\c1ccccc1)C(=O)O	5125271	UBDXZYYYWGIRGN-XGBXBTFKSA-N	199.209	2.234	50	40	AEGB	
O=C/C=C\[C@@H]1CC=CCC1	5426114	BJUAGQHDGHROOO-WQAKUFEDSA-N	136.194	2.098	50	40	AEGB	
ClCc1cccc2c1OCO2	39396656	MDMCWQDULDXEDU-UHFFFAOYSA-N	170.595	2.154	50	40	AEGB	
C[C@@H](Cl)C(F)(F)F	64370149	VRVIDSRWPUGFBU-UWTATZPHSA-N	132.512	2.176	50	40	AEGB	
N#C/C(Br)=C/C(F)(F)F	96031267	SIUGKXQZOZLYLJ-IWQZZHSRSA-N	199.957	2.351	50	40	AEGB	in-vitro
Cc1cccc(C(=O)CCl)c1	13517340	NEONXKZDDPNEQP-UHFFFAOYSA-N	168.623	2.417	50	40	AEGB	
ClCc1ncn(-c2ccccc2)n1	88613850	VCZRTZOYIIDQIP-UHFFFAOYSA-N	193.637	2.006	50	40	AEGB	in-vitro
O=C[C@@H]1CCCCC[C@@H]1Cl	1857793590	WDGHUSQGPBRTTJ-YUMQZZPRSA-N	160.644	2.373	50	40	AEGB	
C#Cc1cccc(N=C=S)c1	2515967	CDXYLBBUTLNTBC-UHFFFAOYSA-N	159.213	2.402	50	40	AEGB	
O[C@H](CCl)c1ccc(F)cc1F	12506244	LUDHEANGPFVUIE-MRVPVSSYSA-N	192.592	2.237	50	40	AEGB	
Cc1cccc(C)c1OCC(=O)Cl	22058119	MTOBBJCWGZMHGE-UHFFFAOYSA-N	198.649	2.448	50	40	AEGB	in-vitro
CC(C)(C)OCCCl	36883188	QWCNWJJTUIFHNW-UHFFFAOYSA-N	136.622	2.040	50	40	AEGB	
O=CCCCCCBr	75568941	SSKLZGVVAYKNSS-UHFFFAOYSA-N	179.057	2.141	50	40	AEGB	in-vitro
S=C=NC[C@H]1C[C@H]2C=C[C@H]1C2	255190046	UOYVDGXAECHVGO-XHNCKOQMSA-N	165.261	2.301	50	40	AEGB	
COC(=O)NN=C1CCCCCCC1	5354546	XYYWBLSLYPVXCB-UHFFFAOYSA-N	198.266	2.443	50	40	AEGB	
CC(=O)N(N=O)c1cccc(Cl)c1	4975081	MFRNYWJZRPUAEJ-UHFFFAOYSA-N	198.609	2.374	50	40	AEGB	
Cn1nc(CCl)cc1C1CC1	72209633	RNPYHJOQHDMNJZ-UHFFFAOYSA-N	170.643	2.036	50	40	AEGB	
N=C(N)CCCCCCCl	199805845	QETQFMRFCFKGOP-UHFFFAOYSA-N	162.664	2.112	50	40	AEGB	
C/C(=C/C=O)C(C)(C)C	3020566	RJURJJIOVZPPRR-ALCCZGGFSA-N	126.199	2.178	50	40	AEGB	
CC(C)N(C(=O)[C@@H](C)Cl)C(C)C	12504923	VMGBVCZLORGNTJ-MRVPVSSYSA-N	191.702	2.259	50	40	AEGB	in-vitro
C[C@H](Cl)CNCc1ccccc1	1666116	RFCRJMZYJGVOKM-VIFPVBQESA-N	183.682	2.404	50	40	AEGB	
O=C1c2ccccc2CC[C@H]1Cl	5700589	COUZZRHRWFDSCY-SECBINFHSA-N	180.634	2.423	50	40	AEGB	in-vitro
C[C@]1(C(=O)Cl)CC1(Cl)Cl	4254576	AUVFGQDYJGWIJS-SCSAIBSYSA-N	187.453	2.336	50	40	AEGB	
Nc1nc(CCl)nc2sccc12	19413611	ZVSVLDLNMMGBOC-UHFFFAOYSA-N	199.666	2.012	50	40	AEGB	
CC(C)[C@@H](C)Br	2392169	BLGVDCMNIAOLHA-RXMQYKEDSA-N	151.047	2.426	50	40	AEGB	
ClCc1ccc(-n2cncn2)cc1	14007875	UBMMNZIASWFWCS-UHFFFAOYSA-N	193.637	2.006	50	40	AEGB	
[C-]#[N+]C(C)(C)CC	95698385	ZANHUOZJSFYTKD-UHFFFAOYSA-N	97.161	2.094	50	40	AEGB	
CN(CCCl)CCCCCl	1691473	IGORXKQPCDLJLM-UHFFFAOYSA-N	184.110	2.176	50	40	AEGB	
C/C=C/C(=O)OCCCCCl	5371608	UNTVUOBODJHBLS-GORDUTHDSA-N	176.643	2.125	50	40	AEGB	
Cc1ccc(/C(C=O)=C\O)cc1	100015233	FKRKKHBTIIWVGU-POHAHGRESA-N	162.188	2.093	50	40	AEGB	
CC1=C(C)C[C@H](CCl)OC1	4205230	FTWQHRQBNMWCOL-MRVPVSSYSA-N	160.644	2.351	50	40	AEGB	
ClC[C@H]1CCCN2CCCC[C@@H]12	4731334	IBXKSXHUBMYDFR-ZJUUUORDSA-N	187.714	2.490	50	40	AEGB	in-vitro
ClCCO[C@H]1C[C@H]2CC[C@@H]1C2	4896164	WNRMPLQXQBRSGN-YIZRAAEISA-N	174.671	2.430	50	40	AEGB	
COc1c(F)cccc1C(=O)Cl	38529730	WJLYPIGIRQBXFF-UHFFFAOYSA-N	188.585	2.213	50	40	AEGB	
Cc1ccc(N=C=S)c(C)n1	39320581	JFFWDTFSNPVLLS-UHFFFAOYSA-N	164.233	2.433	50	40	AEGB	
N#CCC1(CBr)CC1	83119954	UBRCXYVILSTTRU-UHFFFAOYSA-N	174.041	2.075	50	40	AEGB	in-vitro
CC[C@H](CCC(=O)Cl)C(=O)Cl	100005269	YMMYOFCECDLEPC-RXMQYKEDSA-N	197.061	2.324	50	40	AEGB	
C=CCC[C@@]1(C)OC[C@@H](CCl)O1	1689309	LNSPIMKRHPCVGN-BDAKNGLRSA-N	190.670	2.323	50	40	AEGB	
ClCc1nnc(C2CCCC2)o1	22155497	JNFUSPOMZJDPIB-UHFFFAOYSA-N	186.642	2.466	50	40	AEGB	
O=C(Cl)[C@H]1OCCc2ccccc21	39284919	TTXLXDJZJJGALT-VIFPVBQESA-N	196.633	2.066	50	40	AEGB	
N#C[C@H](Cl)c1cccc([N+](=O)[O-])c1	95094229	CTNXMASZWJWDPE-QMMMGPOBSA-N	196.593	2.398	50	40	AEGB	
O=C(O)Cc1ccc(CCl)cc1	2525486	GJNNLILROAPGRC-UHFFFAOYSA-N	184.622	2.053	50	40	AEGB	
CN(C)/C=C(/C#N)c1ccccc1	12341199	VDKZGONUAHUVJF-LUAWRHEFSA-N	172.231	2.113	50	40	AEGB	
COc1ccc([C@H](C)N=C=O)cc1	2548070	WTNKKJUXEYSETC-QMMMGPOBSA-N	177.203	2.092	50	40	AEGB	
ClCCO[C@@H]1CCC[C@@H]1Cl	5376911	KJBPDSXHRQYGQR-NKWVEPMBSA-N	183.078	2.402	50	40	AEGB	
C[C@@H](Cl)CNCc1ccccc1	6491835	RFCRJMZYJGVOKM-SECBINFHSA-N	183.682	2.404	50	40	AEGB	
ClCCc1ccc2c(c1)CCO2	21982759	UOWBUUHBGKOXGH-UHFFFAOYSA-N	182.650	2.403	50	40	AEGB	
ClC1Cc2ccccc2C1	57809270	YPGLZVBZKXOOSQ-UHFFFAOYSA-N	152.624	2.393	50	40	AEGB	
BrCC=C1CCC1	59979513	BBLAJMQEKRCPGP-UHFFFAOYSA-N	161.042	2.492	50	40	AEGB	in-vitro
O=C(Cl)c1n[nH]c2cc(F)ccc12	89195987	BZIOBYLPKUWUBS-UHFFFAOYSA-N	198.584	2.081	50	40	AEGB	
C[Si](C)(C)CCOC(=O)CCl	196137905	DASQVUVVOOWCLL-UHFFFAOYSA-N	194.734	2.107	50	40	AEGB	
FC1(CBr)CCC1	952958927	QUODLGVTEHWUIN-UHFFFAOYSA-N	167.021	2.274	50	40	AEGB	
ClC[C@H]1COC2(CCCCC2)O1	5133692	XGQRXAWHKWEULC-QMMMGPOBSA-N	190.670	2.301	50	40	AEGB	
Oc1ccccc1NCCCl	58856044	JEZIYCOKIKBKQS-UHFFFAOYSA-N	171.627	2.043	50	40	AEGB	
O=C(CCCl)c1ccc(O)cc1	1678195	QRXBKSZGQHXBDO-UHFFFAOYSA-N	184.622	2.204	50	40	AEGB	in-vivo
COc1ccc([C@@H](Cl)C#N)cc1	34581863	MSXLEJMVOPGKCU-VIFPVBQESA-N	181.622	2.499	50	40	AEGB	
CC(C)c1ccc([C@@H](O)C#N)cc1	100092263	FLXIHTKCTUICKQ-NSHDSACASA-N	175.231	2.367	50	40	AEGB	
Cc1nc(C(=O)CCl)sc1C	107840181	KAFIRVTUHIESSH-UHFFFAOYSA-N	189.667	2.181	50	40	AEGB	
COC(=O)[C@H](Cl)c1ccc(C)cc1	21992358	MVZMKKYIWRRMOQ-SECBINFHSA-N	198.649	2.448	50	40	AEGB	
CCC(=O)OC(=O)c1cccc(C)c1	265540619	KIMSQEBBZUQWMG-UHFFFAOYSA-N	192.214	2.088	50	40	AEGB	
O=C/C=C/C1CCCCC1	36419654	ULHBPBSHMQBWSC-QPJJXVBHSA-N	138.210	2.322	50	40	AEGB	
N#CC1=C[C@H]2C=C[C@@H]3C[C@H](Cl)[C@H]1[C@@H]23	43762146	XPGDJEIYEMRTGD-ZEILLAHLSA-N	191.661	2.496	50	40	AEGB	
O=C=Nc1cccc([N+](=O)[O-])c1Cl	147144671	FWOFFOGCCHNWPW-UHFFFAOYSA-N	198.565	2.216	50	40	AEGB	
CC[Si](C)(C)CCl	170013456	BCZCLPJVTSRZLR-UHFFFAOYSA-N	136.698	2.493	50	40	AEGB	
S=C1CCC[C@@H]1Cl	228950446	WEBSCQWLXSBDBM-BYPYZUCNSA-N	134.631	2.148	50	40	AEGB	
CC1(CCl)CCC1	78749982	XCHAMUVGEQJKER-UHFFFAOYSA-N	118.607	2.415	50	40	AEGB	
C[C@H]1CCc2n[nH]c(CCl)c2C1	306865476	MYSVCLFGEIVKSJ-LURJTMIESA-N	184.670	2.273	50	40	AEGB	
Cc1c(C(=O)Cl)cccc1[N+](=O)[O-]	2513882	UENLNPJRTOHQIC-UHFFFAOYSA-N	199.593	2.282	50	40	AEGB	
O[C@H](CCl)c1ccc(F)cc1	34075862	VTCREIYEGAGUDS-MRVPVSSYSA-N	174.602	2.098	50	40	AEGB	in-vitro
CC(C)[C@@H](C)Cl	57218582	JMTRCXPSDMMAGM-RXMQYKEDSA-N	106.596	2.270	50	40	AEGB	in-vitro
ClCCO[C@H]1C[C@@H]2CC[C@H]1C2	1719247	WNRMPLQXQBRSGN-VGMNWLOBSA-N	174.671	2.430	50	40	AEGB	
ClC[C@@H]1COC2(CCCCC2)O1	4792517	XGQRXAWHKWEULC-MRVPVSSYSA-N	190.670	2.301	50	40	AEGB	
Oc1ccc(N=C=S)cc1	2578961	HIPHYBWWZWRZOV-UHFFFAOYSA-N	151.190	2.127	50	40	AEGB	
COc1cccc(CC(=O)CCl)c1	32009688	POSNRFPMQFARTH-UHFFFAOYSA-N	198.649	2.046	50	40	AEGB	
Cc1ccnc(CCCl)c1	89228903	OJXFDPDTMVCISW-UHFFFAOYSA-N	155.628	2.171	50	40	AEGB	
CCC[C@H]1CCCC/C1=N\NC(N)=O	16951600	MEVUKWHWBFPUFV-IJTFOSHNSA-N	197.282	2.001	50	40	AEGB	
O=C/C=C\[C@H]1CC=CCC1	17283963	BJUAGQHDGHROOO-WYDVEAGSSA-N	136.194	2.098	50	40	AEGB	
Br[C@@H]1CC=CCC1	86860162	IDYIRPALXVSDCK-ZCFIWIBFSA-N	161.042	2.490	50	40	AEGB	
Cc1ccc(C(=O)N=C=S)cc1	2528094	RZCAJUGXEPHWJY-UHFFFAOYSA-N	177.228	2.238	50	40	AEGB	in-vitro
N#C/C(=C\c1ccccc1)C(=O)Cl	33432828	KNUNDVBNLCGWPK-RMKNXTFCSA-N	191.617	2.359	50	40	AEGB	
CCOC1=CC=CC=CC1=C(C#N)C#N	5673160	FBNJCZFXYZJRBW-UHFFFAOYSA-N	198.225	2.377	50	40	AEGB	
COc1cc(N=C=O)ccc1Cl	113476008	PZZGPQISZMXLMB-UHFFFAOYSA-N	183.594	2.316	50	40	AEGB	
C[C@@H](Cl)C(=O)c1ccc(N)cc1	2028179	ZKFSGOCBENBOEA-ZCFIWIBFSA-N	183.638	2.079	50	40	AEGB	
C[C@H](Cl)c1ccccn1	26515378	ZHBVIIQZRLPHGH-LURJTMIESA-N	141.601	2.381	50	40	AEGB	in-vitro
FCC(F)(CF)CBr	2540156	UQYDVXXGNHWODN-UHFFFAOYSA-N	190.990	2.029	50	40	AEGB	
N#Cc1cc(C(Cl)Cl)ccn1	4235196	RUFWNXGZIFEBTA-UHFFFAOYSA-N	187.029	2.429	50	40	AEGB	
O=[N+]([O-])c1ccc(CCl)c(F)c1	71788961	HIDSJCQJOQDPEO-UHFFFAOYSA-N	189.573	2.473	50	40	AEGB	
O=N[C@H]1[C@H]2CC[C@H](C2)[C@H]1Cl	5004382	IERNSKOZPIGLLP-UCROKIRRSA-N	159.616	2.159	50	40	AEGB	
C/C=C/C=C/C=C/C=C/C=O	15022282	ADCGETJXLJQTBY-GAXCVXDLSA-N	148.205	2.430	50	40	AEGB	in-vitro
N#Cc1cccc(CCl)c1F	95917698	BRZNHIMTBVCADC-UHFFFAOYSA-N	169.586	2.436	50	40	AEGB	
C=CC(=O)O[C@H]1CCCC[C@H]1Cl	113694485	NGDOLKDENPCYIS-SFYZADRCSA-N	188.654	2.266	50	40	AEGB	
COc1ncc(Cl)cc1CCl	116292985	FUIXVOHMCCYFNC-UHFFFAOYSA-N	192.045	2.482	50	40	AEGB	
CCCCCC/C(C)=N/NC(N)=O	16951718	COGNJHDCPSNYEH-DHZHZOJOSA-N	185.271	2.001	50	40	AEGB	
CC[C@@H](C)COC(=O)Cl	34141530	MQNLOOJFAVAAKD-RXMQYKEDSA-N	150.605	2.408	50	40	AEGB	
CC(C)(Cl)CCl	1655702	OQPNDCHKFIHPBY-UHFFFAOYSA-N	127.014	2.243	50	40	AEGB	in-vitro
CCOC(=O)/C(C#N)=C(\C)CC(C)C	1702722	NHEROOPJNHZIMY-MDZDMXLPSA-N	195.262	2.436	50	40	AEGB	
C[C@@H]1O[C@@H](CCl)OCC1(C)C	4777824	CPNYXLIWXPSHAB-BQBZGAKWSA-N	178.659	2.013	50	40	AEGB	
BrCc1ccns1	75629612	BNSKNICKWKLOIF-UHFFFAOYSA-N	178.054	2.038	50	40	AEGB	in-vitro
Cl[C@H]1C[C@H]2CC[C@@H]1C2	83309221	PJWBUKHIZPKRJF-XVMARJQXSA-N	130.618	2.414	50	40	AEGB	
ClCCN1Cc2ccccc2C1	1653221	AQCFDAXYYWZJHI-UHFFFAOYSA-N	181.666	2.241	50	40	AEGB	
O=C(O)[C@H](CCl)c1ccccc1	2046363	PLXTXTKDRVJGNJ-MRVPVSSYSA-N	184.622	2.094	50	40	AEGB	
N#CC1=C2CCCCC[C@H]2SC1=O	6021933	WHGOXICWZFVGBB-SECBINFHSA-N	193.271	2.413	50	40	AEGB	
CC1(C)CCC[C@@H](Cl)C1=O	76593850	YNKHGQCEYPHDPV-ZCFIWIBFSA-N	160.644	2.373	50	40	AEGB	
C/C=C(/OC)O[Si](C)(C)C	195937451	RTHAKVSHSCPUGI-SREVYHEPSA-N	160.289	2.346	50	40	AEGB	
CC(=O)Nc1cccc(N=C=S)c1	6731934	HLWVGQKSSIHUAX-UHFFFAOYSA-N	192.243	2.379	50	40	AEGB	
O=C(Cl)[C@H]1Cc2ccccc21	39056332	FRRRANOWXWHKJE-QMMMGPOBSA-N	166.607	2.092	50	40	AEGB	
CC(C)CCOC(=O)Cl	39218692	KCCKTIKZOIPZTG-UHFFFAOYSA-N	150.605	2.408	50	40	AEGB	in-vitro
Oc1ccccc1OCCCl	43465047	CBRUVVLWYRXKTH-UHFFFAOYSA-N	172.611	2.010	50	40	AEGB	
Cc1ncc(Cl)cc1C(=O)Cl	67801575	LRNICVPHBRGCNB-UHFFFAOYSA-N	190.029	2.422	50	40	AEGB	
Fc1cccn2cc(CCl)nc12	82695322	LTMCKRGRXKLJNT-UHFFFAOYSA-N	184.601	2.212	50	40	AEGB	
C=C(C#N)N(C)c1ccccc1	1574886	WJFCMLXARVNIJC-UHFFFAOYSA-N	158.204	2.160	50	40	AEGB	
O=C=Nc1ccccc1C(=O)Cl	6660990	UQAVHAAUPQEYLH-UHFFFAOYSA-N	181.578	2.033	50	40	AEGB	
F[C@H]1[C@H](Cl)C(F)(F)C1(F)F	80440251	TUQAWSUXFUXTIQ-LWMBPPNESA-N	180.503	2.216	50	40	AEGB	in-vitro
CC(C)(C(=O)Cl)C(F)F	221114631	GZNJEHXRJOQTFL-UHFFFAOYSA-N	156.559	2.043	50	40	AEGB	
COc1cccc2nc(CCl)cn12	687828036	DSLMPXZWRBQIIK-UHFFFAOYSA-N	196.637	2.082	50	40	AEGB	
N#Cc1ccc(OCCCl)cc1	36883126	UYFJDKPCZDFWPF-UHFFFAOYSA-N	181.622	2.176	50	40	AEGB	
O=C(Cl)c1cccc(Cl)n1	22009488	INDXGKMKACLIJS-UHFFFAOYSA-N	176.002	2.114	50	40	AEGB	in-vitro
Cc1cc(CCCCl)on1	2524889	WKCCXMQDJNSMOT-UHFFFAOYSA-N	159.616	2.154	50	40	AEGB	in-vitro
O=C=Nc1ccc(C(F)(F)F)nc1	22010714	PXRYPNYSTNPZAH-UHFFFAOYSA-N	188.108	2.068	50	40	AEGB	
COc1ccc(C)cc1C(=O)CCl	31893363	HNPXTUYJDODWQL-UHFFFAOYSA-N	198.649	2.425	50	40	AEGB	
[C-]#[N+][C@H](C)C(C)(C)C	95698170	LSXJIKHGMFLEQQ-ZCFIWIBFSA-N	111.188	2.340	50	40	AEGB	
CC(C)=CCC[C@](C)(O)C#N	97949457	FROHVQGVFUDCRI-VIFPVBQESA-N	153.225	2.007	50	40	AEGB	
C[C@H](Cl)C(=O)c1ccccc1C#N	307474880	SXGAJVFODTWZHQ-ZETCQYMHSA-N	193.633	2.368	50	40	AEGB	
CC(C)C/C=C(/C#N)C(=O)OC(C)C	1713991	VHVNIISEZMWULA-POHAHGRESA-N	195.262	2.434	50	40	AEGB	
CCCCC(CCCC)=NNC(N)=O	4897341	TWCKAZDEWJAUTA-UHFFFAOYSA-N	199.298	2.391	50	40	AEGB	
N#C/C=C/c1ccc(C#N)cc1	1624972	GUYNBGVJDVSEGA-OWOJBTEDSA-N	154.172	2.095	50	40	AEGB	
O=C/C=C\c1ccc(F)cc1	21993071	YSIYEWBILJZDQH-UPHRSURJSA-N	150.152	2.038	50	40	AEGB	
Fc1cc(CBr)ccn1	34202383	QVTCEZINLKFYJJ-UHFFFAOYSA-N	190.015	2.116	50	40	AEGB	in-vitro
Cc1ccc(CBr)o1	39190027	CBIRJGAGQHWIPM-UHFFFAOYSA-N	175.025	2.483	50	40	AEGB	
[C-]#[N+]Cc1ccccc1F	95698096	MCNREKRSJDEJPJ-UHFFFAOYSA-N	135.141	2.245	50	40	AEGB	
O=C(Cl)Nc1ccccc1	6864539	YSBUANSGDLZTKV-UHFFFAOYSA-N	155.584	2.457	50	40	AEGB	in-vitro
ClCc1cnc(-c2ccccn2)[nH]1	43179089	QQDYNVVUOHGDLS-UHFFFAOYSA-N	193.637	2.211	50	40	AEGB	
ClCCCn1cccc1	79124066	VBNLJZUMBKLGCV-UHFFFAOYSA-N	143.617	2.117	50	40	AEGB	
CCO/N=C(/C)[C@H](C)SC#N	5048391	MICHMMBWUVHBDP-AXDULGOBSA-N	172.253	2.002	50	40	AEGB	
CC(C)OC(=O)OOOC(C)(C)C	112965292	NZTSTZPFKORISI-UHFFFAOYSA-N	192.211	2.210	50	40	AEGB	
CCCCCCOC[C@H](O)CCl	5511923	DNZUNVIOUMBUHF-SECBINFHSA-N	194.702	2.183	50	40	AEGB	
CC(=O)Nc1cccc(CCl)c1	47844226	MOMMJJQBRPVSNG-UHFFFAOYSA-N	183.638	2.384	50	40	AEGB	in-vitro
CC(C)(C)OC(=O)C(Cl)Cl	106489645	FOLRKRMAFDGZRR-UHFFFAOYSA-N	185.050	2.132	50	40	AEGB	
C[C@H](CCCl)C(=O)Cl	34152150	LJXFUBMDMUVZKA-SCSAIBSYSA-N	155.024	2.017	50	40	AEGB	
ClCc1ncoc1C1CC1	85943158	JBTLCPQMWCOCBK-UHFFFAOYSA-N	157.600	2.291	50	40	AEGB	in-vitro
C[C@H](CO)O[Si](C)(C)C(C)(C)C	196506978	FRYOCKYIGKFINL-MRVPVSSYSA-N	190.359	2.389	50	40	AEGB	in-vitro
CC1CC(COCCCl)C1	242495584	GKJUDOSLFZCFNK-UHFFFAOYSA-N	162.660	2.288	50	40	AEGB	
CCOC(=O)NN=C1CCCCC1	4758788	MPRXMZOKYLMOLD-UHFFFAOYSA-N	184.239	2.053	50	40	AEGB	
CC1(C)CC[C@H](Br)C1=O	83822374	CVNGETZFSNTKKR-YFKPBYRVSA-N	191.068	2.139	50	40	AEGB	in-vitro
O=[S@](Cl)c1ccc(F)cc1	100875962	BJWMYGBNKQPQLX-SNVBAGLBSA-N	178.615	2.087	50	40	AEGB	
CC[C@@H](C)OCCCCl	48264461	QEPWCMNEJUUHAO-SSDOTTSWSA-N	150.649	2.430	50	40	AEGB	
O=C/C=C\CCOCc1ccccc1	17176310	DAKRLPWXYICTFY-DJWKRKHSSA-N	190.242	2.348	50	40	AEGB	
ClCc1ccc2c(c1)OCCO2	26516208	HARUWJZORCBAAL-UHFFFAOYSA-N	184.622	2.197	50	40	AEGB	in-vitro
Nc1cccc(Cl)c1C(=O)Cl	39056853	QMVPVXZJPRBZKZ-UHFFFAOYSA-N	190.029	2.301	50	40	AEGB	
Oc1cccc(NCCCCl)c1	58854019	HDPHVRJIVLCJAX-UHFFFAOYSA-N	185.654	2.433	50	40	AEGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2C=O	100019075	KMRMUZKLFIEVAO-DTWKUNHWSA-N	150.221	2.178	50	40	AEGB	endogenous,in-man
N#CC(C#N)=Cc1cnc(Cl)s1	1392612	WXPWOOVZWUWAGW-UHFFFAOYSA-N	195.634	2.227	50	40	AEGB	
Cc1cc(Cl)nnc1CCl	71789874	SOQGHMNBZNYCBM-UHFFFAOYSA-N	177.034	2.177	50	40	AEGB	
CCCCCCC(=O)NN=C(C)C	5792297	RFIDTILRNYSYSI-UHFFFAOYSA-N	184.283	2.469	50	40	AEGB	
COc1cccc(/C=C/C(=O)Cl)c1	33432903	SXXZPHOCVWJAEN-AATRIKPKSA-N	196.633	2.474	50	40	AEGB	in-vitro
Cc1cccc(CC(=O)CCl)c1	19479391	RTQAGCNCNZVXFO-UHFFFAOYSA-N	182.650	2.345	50	40	AEGB	
C=CCOC(CCl)CCl	1681464	SAXUGXRTCOTWBQ-UHFFFAOYSA-N	169.051	2.035	50	40	AEGB	
Cc1ccccc1/C(C#N)=C/O	101388803	IFGROLAMOUFARP-VQHVLOKHSA-N	159.188	2.418	50	40	AEGB	
FC(F)=C(F)CBr	71606302	RGWJVJCWNDHBGF-UHFFFAOYSA-N	174.947	2.459	50	40	AEGB	
FC(F)(F)SCl	95676863	RQYLOOVORNJDQX-UHFFFAOYSA-N	136.525	2.393	50	40	AEGB	
CC(C)(CCC(=O)Cl)C(=O)Cl	100098977	WBKXOLKOAFPWRR-UHFFFAOYSA-N	197.061	2.324	50	40	AEGB	
CN(C)c1ccc(/C=C\C#N)cc1	5722939	CSCOHKCYDZVRMQ-ARJAWSKDSA-N	172.231	2.289	50	40	AEGB	
C[C@H](Cl)CBr	2033081	YMHXXJJTAGKFBA-VKHMYHEASA-N	157.438	2.009	50	40	AEGB	
O=C(Cl)c1cnccc1Cl	20357965	CSQKICWPCREIJP-UHFFFAOYSA-N	176.002	2.114	50	40	AEGB	
O=CC1=C(Cl)c2ccccc2C1	75568908	BKLKOMMLYFQHDW-UHFFFAOYSA-N	178.618	2.392	50	40	AEGB	
CCO[C@H](Cl)[C@H](C)Cl	104515469	PALWJZXXCVMGKH-WHFBIAKZSA-N	157.040	2.215	50	40	AEGB	
O=C[C@H]1CCCCC[C@@H]1Cl	1857793589	WDGHUSQGPBRTTJ-SFYZADRCSA-N	160.644	2.373	50	40	AEGB	
Fc1cccc(CBr)n1	34202404	ADYKBYXVMBDQQX-UHFFFAOYSA-N	190.015	2.116	50	40	AEGB	in-vitro
C[Si](C)(C)O[C@@H](CCl)CC#N	195996260	FLYSOKSACGLOAO-SSDOTTSWSA-N	191.734	2.359	50	40	AEGB	
CNc1ccccc1CCl	34382577	CJCKOLAXGXURKC-UHFFFAOYSA-N	155.628	2.467	50	40	AEGB	
N#C/C(=C/O)c1nc2ccccc2o1	103614929	ZEANXDGLDCVALV-SREVYHEPSA-N	186.170	2.250	50	40	AEGB	
N#C[C@H](Cl)Cc1ccccc1	1639550	ZUPBNBYEVVGQKK-SECBINFHSA-N	165.623	2.360	50	40	AEGB	in-vitro
CCOCCCCCl	32152791	IXRDURXALZYREB-UHFFFAOYSA-N	136.622	2.042	50	40	AEGB	
Fc1ccc(CBr)nc1	14985908	LTRPARICWZBDRI-UHFFFAOYSA-N	190.015	2.116	50	40	AEGB	in-vitro
ClCCN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	104372613	YIOQLFHUWMVYAB-UKKRHICBSA-N	199.725	2.203	50	40	AEGB	
Nc1ccc(OCCCCl)cc1	144858120	MLPUKYZSZJQRJG-UHFFFAOYSA-N	185.654	2.277	50	40	AEGB	
O=C(O)CCC[C@@H]1CCSS1	13507043	BZRQFBXKSVNNDE-ZCFIWIBFSA-N	192.305	2.395	50	40	AEGB	
Cc1cc(C(=O)Cl)ccc1[N+](=O)[O-]	20248562	DUEGOHNPUBPUIV-UHFFFAOYSA-N	199.593	2.282	50	40	AEGB	
Cc1nn(CCl)c(C)c1Cl	2536480	WNFADSDQCXKQQR-UHFFFAOYSA-N	179.050	2.350	50	40	AEGB	in-vitro
CC(C)/C=N/NC(=O)c1ccccc1	347049	ISSKOELQNRHIIL-XYOKQWHBSA-N	190.246	2.058	50	40	AEGB	in-vitro
CCc1ccc(OC(=O)CCl)cc1	1586487	POZAWHNNQCDJHZ-UHFFFAOYSA-N	198.649	2.393	50	40	AEGB	
CSSC(C)(C)CCOC=O	261508106	PUWFBVVBLYUEEJ-UHFFFAOYSA-N	194.321	2.339	50	40	AEGB	
CC(=O)c1cccc(C(=O)Cl)c1	34161243	GRHPCHSOVQAFSQ-UHFFFAOYSA-N	182.606	2.268	50	40	AEGB	
C[C@H](Cl)CNCC(C)(C)C	1686745	UYYRZAPUBIMQGI-ZETCQYMHSA-N	163.692	2.249	50	40	AEGB	
O=C(Cl)C1=CCCCC1	5133564	OXARPLABDJXAQJ-UHFFFAOYSA-N	144.601	2.252	50	40	AEGB	
CC(C)(C)OCCBr	20513666	FMNDTAIPYOTMLD-UHFFFAOYSA-N	181.073	2.196	50	40	AEGB	in-vitro
N#CC1=CC[C@@H]2CC[C@H]1C2	1620739	VYGLDVIPEABEQL-YUMQZZPRSA-N	133.194	2.256	50	40	AEGB	
CC1=CO[C@@](C)(C=C(C#N)C#N)CC1	1639197	LYZBGHYQNCVQIB-LLVKDONJSA-N	188.230	2.433	50	40	AEGB	
Cc1cc(CCl)cnc1N(C)C	72222057	GHIRPRMJDNTLHK-UHFFFAOYSA-N	184.670	2.195	50	40	AEGB	
O=C(Cl)[C@H]1COc2ccccc2C1	2548360	ISYMIZHFYTWMAQ-MRVPVSSYSA-N	196.633	2.003	50	40	AEGB	
Cc1cc(C=C(C#N)C#N)c(C)n1C	59437471	FGKZSWCTMKNXHZ-UHFFFAOYSA-N	185.230	2.073	50	40	AEGB	
C[C@H](Cl)c1cccnc1	26515370	NYEDROBJCDOGEE-LURJTMIESA-N	141.601	2.381	50	40	AEGB	in-vitro
Fc1cccc2[nH]c(CCl)nc12	37443089	WDXMRBVCBCOJRU-UHFFFAOYSA-N	184.601	2.441	50	40	AEGB	in-vitro
CC(=O)SCCSCCCl	1628022	FSYNHGHGMWUVKL-UHFFFAOYSA-N	198.740	2.238	50	40	AEGB	
CCN(C(=O)CCl)C1=CCCC1	3440609	UQSJSTMOSHKSIU-UHFFFAOYSA-N	187.670	2.142	50	40	AEGB	
C/C=N/NC(=O)c1ccc(Cl)cc1	4855144	GPAFSLFRUWSWPH-BIIKFXOESA-N	196.637	2.076	50	40	AEGB	
CCCC(=O)NNc1cccc(C)c1	4119417	UVVHDXDBLZTGBX-UHFFFAOYSA-N	192.262	2.238	50	40	AEGB	
N#CSc1ccccc1[N+](=O)[O-]	3639214	BHFBHNGCLGLPJE-UHFFFAOYSA-N	180.188	2.168	50	40	AEGB	
Br/C=C\CBr	83252702	JWQMKMSVOYQICF-UPHRSURJSA-N	199.873	2.290	50	40	AEGB	
C[C@@]1(C(=O)Cl)CC1(Cl)Cl	2521276	AUVFGQDYJGWIJS-BYPYZUCNSA-N	187.453	2.336	50	40	AEGB	
O=Cc1ccc(CCCl)cc1	34517807	QSAAKRQPQKJMHW-UHFFFAOYSA-N	168.623	2.280	50	40	AEGB	
CC(C)(C)c1ccnn1CCCl	96527631	RPXUSDOHEXZDMF-UHFFFAOYSA-N	186.686	2.419	50	40	AEGB	
C[C@@H]1CCCN(CCCl)CC1	1673497	BMIFAYYPASEWPK-SECBINFHSA-N	175.703	2.347	50	40	AEGB	
CC(C)N(CCCl)CCCl	1845952	WAEDMQMDOHQPFL-UHFFFAOYSA-N	184.110	2.174	50	40	AEGB	
CCOC(=O)N/N=C1\CCC[C@H](C)C1	4155658	BQQHRLCCKZNZMI-QMIUEANQSA-N	198.266	2.299	50	40	AEGB	
Fc1ccc(OCCCl)cc1	36883124	PNXWJPITIBTSLJ-UHFFFAOYSA-N	174.602	2.443	50	40	AEGB	
CC(C)c1ccnn1CCCl	96527628	JERLZZWMZUYJKE-UHFFFAOYSA-N	172.659	2.245	50	40	AEGB	
Nc1ccc(CCl)c(F)c1	238588003	ATDLTLOZSBPTAY-UHFFFAOYSA-N	159.591	2.147	50	40	AEGB	
C#Cc1ccc(C(=O)Cl)cc1	34567156	XGVGIJULTHHKJM-UHFFFAOYSA-N	164.591	2.047	50	40	AEGB	
CCC#CCCBr	104395787	YRGCOHIRORSGRM-UHFFFAOYSA-N	161.042	2.185	50	40	AEGB	
ClCCO[C@H]1CCC[C@@H]1Cl	5376624	KJBPDSXHRQYGQR-BQBZGAKWSA-N	183.078	2.402	50	40	AEGB	
NC(=O)N/N=C/CCC1CCCCC1	6261857	UMKFKKURVRFBGT-XYOKQWHBSA-N	197.282	2.001	50	40	AEGB	
C[C@@H](Cl)c1cccnc1	26515368	NYEDROBJCDOGEE-ZCFIWIBFSA-N	141.601	2.381	50	40	AEGB	in-vitro
CCC(C)(C)N=C=S	2508120	PUKGVWIYLYUQBU-UHFFFAOYSA-N	129.228	2.278	50	40	AEGB	in-vitro
O[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Cl	5049094	MMILRRKRQKGFRN-LMLFDSFASA-N	194.661	2.239	50	40	AEGB	
C/C(C=O)=C\c1ccc(F)cc1	5808006	KGIKBRYVRUTDGR-SOFGYWHQSA-N	164.179	2.428	50	40	AEGB	
[C-]#[N+]Cc1cccc(C)c1	95697944	HPZLCOJMLJHQHQ-UHFFFAOYSA-N	131.178	2.414	50	40	AEGB	
ClCC1CCCC1	49701336	NQIIILQXTJXSCA-UHFFFAOYSA-N	118.607	2.415	50	40	AEGB	in-vitro
COCC1(CBr)CCC1	83172918	NBUQPMAWDXHYRV-UHFFFAOYSA-N	193.084	2.198	50	40	AEGB	
CCCCc1nnc(CCl)o1	8731350	SZYNGENWKNXSLU-UHFFFAOYSA-N	174.631	2.151	50	40	AEGB	
S=C(Cl)Cc1ccncc1	84400831	KCVTVKMPZQSSNU-UHFFFAOYSA-N	171.652	2.190	50	40	AEGB	
[C-]#[N+][C@@H](CCCCCC)C(=O)OC	95697985	RJIXWGJZEMHORO-VIFPVBQESA-N	183.251	2.418	50	40	AEGB	
COc1ccc(/C=C\C(=O)Cl)cc1	45009256	CGOJOQBYEAVATL-DAXSKMNVSA-N	196.633	2.474	50	40	AEGB	
C[C@H](Cl)C(=O)c1ccc(C#N)cc1	306507691	YTGBDYIJOMOVNW-ZETCQYMHSA-N	193.633	2.368	50	40	AEGB	
C=CCN(CC=C)C[C@@H](C)Cl	1700301	DTYDBNWBZMRKJU-SECBINFHSA-N	173.687	2.288	50	40	AEGB	
CC(=O)OCCCCCCCl	5161318	AHEBJCQIQYFSGF-UHFFFAOYSA-N	178.659	2.349	50	40	AEGB	
N#CCc1ccccc1C(=O)Cl	20357958	CQZWNRPXUQNVJN-UHFFFAOYSA-N	179.606	2.132	50	40	AEGB	
O=Cc1cc(CCl)cnc1Cl	44154627	PGWZEMYEIXWVBM-UHFFFAOYSA-N	190.029	2.286	50	40	AEGB	
O=C=Nc1ccc(Cl)s1	51172058	ACYONAAFLZGBSL-UHFFFAOYSA-N	159.597	2.369	50	40	AEGB	in-vitro
Cc1cc(C(F)(F)F)nn1CCl	2536483	JJJSOYZYMGONOZ-UHFFFAOYSA-N	198.575	2.407	50	40	AEGB	
CC(=O)N(N=O)c1c(C)cccc1C	4962200	JXMUYKRNLSIMPM-UHFFFAOYSA-N	192.218	2.338	50	40	AEGB	
[C-]#[N+][C@H](C)CCCN(CC)CC	104512755	GIRRFOMQAVPLHL-SNVBAGLBSA-N	168.284	2.416	50	40	AEGB	
C[C@H](Cl)C(=O)c1ccc(N)cc1	1563990	ZKFSGOCBENBOEA-LURJTMIESA-N	183.638	2.079	50	40	AEGB	
O=C(Cl)[C@@H]1COc2ccccc2C1	4277304	ISYMIZHFYTWMAQ-QMMMGPOBSA-N	196.633	2.003	50	40	AEGB	
Cn1c(N=C=O)cc2ccccc21	107123685	PAYLLVJEXALHKC-UHFFFAOYSA-N	172.187	2.146	50	40	AEGB	
O=C=N[C@H]1CC[C@H](C(F)F)CC1	1903364750	ISIPBTHVLVBDEJ-LJGSYFOKSA-N	175.178	2.146	50	40	AEGB	
ClC[C@@H]1CCCN2CCCC[C@H]12	3881642	IBXKSXHUBMYDFR-VHSXEESVSA-N	187.714	2.490	50	40	AEGB	biogenic,in-vitro
CC(C)CC[C@@H](C)NC(=O)CCl	4219097	QXDSXHGCALZLQN-MRVPVSSYSA-N	191.702	2.166	50	40	AEGB	in-vitro
O=[S@](CCCl)c1ccccc1	6116581	XNUCQTSEDXYZCQ-NSHDSACASA-N	188.679	2.033	50	40	AEGB	in-vitro
ClC[C@H]1Cc2ccccc2O1	37405167	SNLLWTRIHKNPQX-MRVPVSSYSA-N	168.623	2.229	50	40	AEGB	in-vitro
Oc1cccc(NCCCl)c1	58837285	SIRIVPCBFJVAQY-UHFFFAOYSA-N	171.627	2.043	50	40	AEGB	
CCCC[C@@H](CC)/C(C)=N/NC(N)=O	5081198	CSNRQKYOXIHLFE-YXYQAXARSA-N	199.298	2.247	50	40	AEGB	
F/C(Cl)=C\CCl	71790191	YCYPXGHNVSBFPT-IWQZZHSRSA-N	128.961	2.275	50	40	AEGB	
O=C1[C@@H]2C[C@@H]3C[C@@H]1C[C@@H](C3)[C@@H]2Cl	104265752	VWRCUEUBWJRNRQ-CBHQDSPSSA-N	184.666	2.229	50	40	AEGB	
Cc1cc(F)c(N=C=O)cc1C	238525991	LHNHYCJXWUHDHF-UHFFFAOYSA-N	165.167	2.410	50	40	AEGB	
Cc1cc(SC#N)ccc1N	3164873	RCBONENBHJLSHJ-UHFFFAOYSA-N	164.233	2.150	50	40	AEGB	in-vitro
CC1=CC(=C(C#N)C#N)CC1	5427009	MKVLMTOSLROXPP-UHFFFAOYSA-N	144.177	2.070	50	40	AEGB	
CCN(CC)CC[C@H](C)Cl	2048708	NNUHGJSXHBGPNM-QMMMGPOBSA-N	163.692	2.346	50	40	AEGB	
O=C[C@H](Cl)c1ccc([N+](=O)[O-])cc1	9203960	ATNZPTMBVHUNLZ-QMMMGPOBSA-N	199.593	2.074	50	40	AEGB	
Cc1cnc2nc(CCl)[nH]c2c1	86795968	RXIMBDZJMYHKRV-UHFFFAOYSA-N	181.626	2.005	50	40	AEGB	
N#CC(C#N)=C(C#N)c1ccccc1	1726767	QFLGJTBVYNAVJA-UHFFFAOYSA-N	179.182	2.011	50	40	AEGB	
O=C[C@H]1CCCCC[C@H]1Cl	1857793587	WDGHUSQGPBRTTJ-HTQZYQBOSA-N	160.644	2.373	50	40	AEGB	
N#C/C=C/Nc1ccc(C#N)cc1	100419572	ZZWRGCTZIYLDIZ-LREOWRDNSA-N	169.187	2.007	50	40	AEGB	
O=C/C=C\c1cc(Cl)ccc1O	12495618	TWBSLXPPYNMYNJ-UPHRSURJSA-N	182.606	2.258	50	40	AEGB	
O=C=N/C=C\c1ccc(F)c(F)c1	71623995	ZPHVQGIQJOEWJR-ARJAWSKDSA-N	181.141	2.271	50	40	AEGB	
O=C/C=C/[C@@H]1CC=CCC1	4429376	BJUAGQHDGHROOO-ILFKPUCNSA-N	136.194	2.098	50	40	AEGB	
N#C/C=C/N(C#N)c1ccccc1	5799995	ANFAUYZWTHRESQ-XBXARRHUSA-N	169.187	2.011	50	40	AEGB	
[C-]#[N+]C1=CCCCC1	59816787	DSPXASHHKFVPCL-UHFFFAOYSA-N	107.156	2.364	50	40	AEGB	in-vitro
C=C[C@H](Cl)C[C@H]1CC[C@H]2O[C@H]12	104364926	NIPFFBCYRHNWCO-BZNPZCIMSA-N	172.655	2.347	50	40	AEGB	
N#CC(C#N)=Cc1cccc(F)c1F	377598	JINCVDANGHFJGO-UHFFFAOYSA-N	190.152	2.395	50	40	AEGB	
ClCC1=NCCc2ccccc21	9690938	DJHLUJYURNDBRN-UHFFFAOYSA-N	179.650	2.271	50	40	AEGB	in-vitro
F/C(Cl)=C/CCl	72265615	YCYPXGHNVSBFPT-HNQUOIGGSA-N	128.961	2.275	50	40	AEGB	
O=C/C=C/c1ccc(F)cc1F	14982651	XVVKESKJTRIKLY-OWOJBTEDSA-N	168.142	2.177	50	40	AEGB	in-vitro
Cn1c(CCCl)nc2ccccc21	36909330	SDWMJFNCKDHFLT-UHFFFAOYSA-N	194.665	2.355	50	40	AEGB	in-vitro
Cc1cnc(Cl)c(N=C=O)c1	242495328	GAWMNSAHEUFUJM-UHFFFAOYSA-N	168.583	2.011	50	40	AEGB	
COC(=O)c1ccc(CCl)s1	35762	CWBAQHYKHFVBGR-UHFFFAOYSA-N	190.651	2.274	50	40	AEGB	
O=C(CBr)C1CCCC1	34427703	CIQIZFMMQXIJTI-UHFFFAOYSA-N	191.068	2.141	50	40	AEGB	in-vitro
CCOC(=O)[C@H](Cl)CC(C)C	50978571	JBMHQMNLLJGXQR-SSDOTTSWSA-N	178.659	2.203	50	40	AEGB	
ClCc1ccoc1	37390183	WECUIJXZKLGURU-UHFFFAOYSA-N	116.547	2.018	50	40	AEGB	in-vitro
ClCc1cccc2[nH]ncc12	80441446	YWXHEIMWLKXGQI-UHFFFAOYSA-N	166.611	2.302	50	40	AEGB	in-vitro
[C-]#[N+]Cc1cccc([N+](=O)[O-])c1	95697864	APIAZFIKCWTACB-UHFFFAOYSA-N	162.148	2.014	50	40	AEGB	
FC(F)n1ccnc1CCl	9200828	INMZTWCHOPICRJ-UHFFFAOYSA-N	166.558	2.017	50	40	AEGB	in-vitro
Cc1ccc(-c2nnc(CCl)o2)o1	20251687	ZVLOYYVTGHFXSV-UHFFFAOYSA-N	198.609	2.377	50	40	AEGB	
C[C@H](Cl)c1nccs1	72194502	REGJKLHADIYSNP-BYPYZUCNSA-N	147.630	2.443	50	40	AEGB	
CN(C)/C=C(/C#N)c1ccsc1	29763239	DQHNVBOGFFQQJQ-TWGQIWQCSA-N	178.260	2.174	50	40	AEGB	
O=N[C@H]1CCCC[C@H]1Cl	5004386	IWTDSJVXBQXLLR-RITPCOANSA-N	147.605	2.303	50	40	AEGB	
Cl[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1Cl	104105477	ZFSMTYOLNXPHEU-ZTYPAOSTSA-N	163.047	2.407	50	40	AEGB	
N#C/C=C\c1cccc([N+](=O)[O-])c1	16981938	YZJNQXWSVRISBC-RQOWECAXSA-N	174.159	2.132	50	40	AEGB	
C[C@H](Cl)c1nccc(Cl)n1	72207423	ZDLFIGHFYFVFTM-BYPYZUCNSA-N	177.034	2.430	50	40	AEGB	
Cc1cccc(/C(C#N)=C/O)c1	101388805	QNBUHVFDIRSMDG-JXMROGBWSA-N	159.188	2.418	50	40	AEGB	
O=C(CCl)Cc1ccccc1F	19482200	NKXOUJLSAVDXQA-UHFFFAOYSA-N	186.613	2.176	50	40	AEGB	in-vitro
C#Cc1ccc(CCl)cc1	59541832	MBIGNFNSALGEMI-UHFFFAOYSA-N	150.608	2.407	50	40	AEGB	
CC(C)OC(=O)NNc1ccccc1	1730618	MEVPBSUVXHDGDF-UHFFFAOYSA-N	194.234	2.148	50	40	AEGB	
O=C(Cl)CCCCCN=C=S	1755310	PDLSNXJMSMGTBM-UHFFFAOYSA-N	191.683	2.415	50	40	AEGB	
CN(C)c1ccc(C#CCCl)cc1	37470632	LASPXZNJXTVMEH-UHFFFAOYSA-N	193.677	2.343	50	40	AEGB	
O=CC=C(C(F)(F)F)C(F)(F)F	72265762	YOMZNKQKFYQNPG-UHFFFAOYSA-N	192.058	2.236	50	40	AEGB	
Cc1nc(CBr)c(C)o1	299805540	SWIPAFLFIFAHEC-UHFFFAOYSA-N	190.040	2.186	50	40	AEGB	
CCCN(CCCl)CCCl	1698372	XPOTXXGDCPYFGR-UHFFFAOYSA-N	184.110	2.176	50	40	AEGB	
O=N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1Cl	5004381	IERNSKOZPIGLLP-WNJXEPBRSA-N	159.616	2.159	50	40	AEGB	
O=C(CCCCl)NC1CCCC1	5897095	XGXYFLDKDPTZNZ-UHFFFAOYSA-N	189.686	2.064	50	40	AEGB	
N#C/C=C\c1cccs1	31362078	CONLQGNBFRQUBX-IWQZZHSRSA-N	135.191	2.285	50	40	AEGB	
C=CC(=O)O[C@@H]1CCCC[C@@H]1Cl	113694490	NGDOLKDENPCYIS-JGVFFNPUSA-N	188.654	2.266	50	40	AEGB	
COc1cc(C=C(C#N)C#N)ccc1C	408725900	LUEJTZNAXJZDLF-UHFFFAOYSA-N	198.225	2.434	50	40	AEGB	
CCCCCNC(=O)C(Cl)Cl	1682731	HGEUGEFQAQJWFM-UHFFFAOYSA-N	198.093	2.097	50	40	AEGB	
ClCc1cccc2c1OCCO2	36330650	ROFHTLXQUSTDLX-UHFFFAOYSA-N	184.622	2.197	50	40	AEGB	in-vitro
N#Cc1cc(C(=O)Cl)ccc1F	2243240	AZBJLJVMWLMSAT-UHFFFAOYSA-N	183.569	2.076	50	40	AEGB	
C[C@@H]1CCC(Cl)=C1C=O	75529758	UAMHQKRCORGDJJ-RXMQYKEDSA-N	144.601	2.108	50	40	AEGB	
N#C/C=C/c1cccc(F)c1	1624968	LZCORSHIMPJAAK-DUXPYHPUSA-N	147.152	2.362	50	40	AEGB	in-vitro
C/C(C=O)=C/[C@H]1CC=CCC1	4429372	ODNDASWPVKXVPJ-RNKPRXRFSA-N	150.221	2.488	50	40	AEGB	
C[C@@H](OCc1ccccc1)C(=O)Cl	39277433	XMTKNMQAPNHLJP-MRVPVSSYSA-N	198.649	2.357	50	40	AEGB	
C[C@@H](CC(F)(F)F)C(=O)Cl	34467295	KJGTUKSHPIVAPB-VKHMYHEASA-N	174.549	2.340	50	40	AEGB	in-vitro
CC1(C)CC[C@@H](Br)C1=O	83822376	CVNGETZFSNTKKR-RXMQYKEDSA-N	191.068	2.139	50	40	AEGB	in-vitro
O=C/C=C/C=C/c1ccccc1	6095594	UWTZBVTWSKWXMN-VDESZNBCSA-N	158.200	2.455	50	40	AEGB	
C/C(C=O)=C/c1ccc([N+](=O)[O-])cc1	5502685	UTNWCRRIRXIRHG-VURMDHGXSA-N	191.186	2.197	50	40	AEGB	
ClCCCc1cccnc1	13208009	QRMAZKNPBZDWDH-UHFFFAOYSA-N	155.628	2.253	50	40	AEGB	in-vitro
ClC/C=C\CO[C@@H]1CCCCO1	5566904	MEQZNJKQSDWFHR-FIFYQCSRSA-N	190.670	2.325	50	40	AEGB	
C[C@@H](Cl)C(=O)OC(C)(C)Cl	6442698	VVJJXXGBSRBMNL-SCSAIBSYSA-N	185.050	2.132	50	40	AEGB	
O=Cc1cccc(CCl)c1	88189728	GPNAKRWHQNYWMY-UHFFFAOYSA-N	154.596	2.238	50	40	AEGB	in-vitro
OC12CC3C[C@@H](C1)C(Cl)[C@@H](C3)C2	100017687	SQFWORKEUYQZGS-NCVQKCBWSA-N	186.682	2.165	50	40	AEGB	
CCc1ccc(/C(N)=C/C#N)cc1	100023861	AGVQRABGGDOKMX-XFFZJAGNSA-N	172.231	2.072	50	40	AEGB	
CC(C)=CCSC#N	196722879	QWQGGPZHETYGOZ-UHFFFAOYSA-N	127.212	2.167	50	40	AEGB	
CC(=O)c1cc(CCl)ccc1O	33495178	JNXISTMARPWKRJ-UHFFFAOYSA-N	184.622	2.334	50	40	AEGB	
O=C(CCl)c1ccc2c(c1)COC2	39947588	RNJNKVQHQANMQH-UHFFFAOYSA-N	196.633	2.138	50	40	AEGB	in-vitro
[C-]#[N+]CCc1cccs1	95686698	LZSOGQNQXJHKMF-UHFFFAOYSA-N	137.207	2.210	50	40	AEGB	
CCOC(=O)c1ccoc1CCl	2455571	NGJRTMAWUADGPY-UHFFFAOYSA-N	188.610	2.195	50	40	AEGB	in-vitro
CON(C)C[C@@H](Cl)c1ccccc1	6437541	AXIBUDLKMBRJFH-SNVBAGLBSA-N	199.681	2.460	50	40	AEGB	
Nc1cc(F)ccc1CCl	16082896	ZVVPOVAYILQLFX-UHFFFAOYSA-N	159.591	2.147	50	40	AEGB	
Cc1cc(F)ncc1CCl	95616364	OMEMWFLFIQNVIK-UHFFFAOYSA-N	159.591	2.268	50	40	AEGB	in-vitro
ClCCN1CCc2ccccc21	40989893	XGPYKSBLVVZWRH-UHFFFAOYSA-N	181.666	2.288	50	40	AEGB	
Cc1cc(F)cc(CCl)n1	95765103	LUESDQILSAFVHC-UHFFFAOYSA-N	159.591	2.268	50	40	AEGB	
N=C(CCl)NC1CCCCC1	1733240	HGXVPTUXFDQYCX-UHFFFAOYSA-N	174.675	2.125	50	40	AEGB	
FC1(F)C[C@@H](Cl)C1(F)F	8100906	JZTOHBFNNYFPIP-UWTATZPHSA-N	162.513	2.268	50	40	AEGB	
Cc1ccccc1/C=C/C=O	13541520	ZAUAFFKABKNGKX-QPJJXVBHSA-N	146.189	2.207	50	40	AEGB	
Cn1cc(N=C=O)c2ccccc21	19723538	KONDNSIYLUAZFI-UHFFFAOYSA-N	172.187	2.146	50	40	AEGB	in-vitro
BrC1[C@H]2C=C[C@H]1CC2	100083556	XFPAUZYYSFLZRD-WDSKDSINSA-N	173.053	2.346	50	40	AEGB	
O=C=Nc1ccc(Cl)nc1Cl	39193540	ORLYKSUNXSOREL-UHFFFAOYSA-N	189.001	2.356	50	40	AEGB	
N#CC1=C[C@@H]2C=C[C@H]3C=C[C@@H]1[C@H]32	45074616	FGPAZYJAFJEYOV-MPKXCIJOSA-N	155.200	2.054	50	40	AEGB	
FC(F)C(F)(F)COCCl	91251942	WVPQZFXLWNFEPM-UHFFFAOYSA-N	180.528	2.100	50	40	AEGB	
COC(=C(C#N)C#N)c1ccccc1	135474	XMWWYIVWSOGDFO-UHFFFAOYSA-N	184.198	2.091	50	40	AEGB	
N#C[C@@H](Cl)c1ccc([N+](=O)[O-])cc1	95094230	FTHIKQGOLDFEOM-MRVPVSSYSA-N	196.593	2.398	50	40	AEGB	
C[C@]1(C2CCCCC2)CC(=O)OC1=O	100615633	OVNZJADZDSZWRT-LLVKDONJSA-N	196.246	2.047	50	40	AEGB	in-vitro
Cl[C@H]1CCN(Cc2ccccc2)C1	39647160	AFTQVONOXWGZPJ-NSHDSACASA-N	195.693	2.500	50	40	AEGB	
O=N[C@H]1CCC[C@@H](Cl)C1	5085183	KLHZIAQFHXOEOB-RITPCOANSA-N	147.605	2.303	50	40	AEGB	
O=C(Cl)OCC(F)(F)C(F)F	34601589	VCTKESLGCGNOFW-UHFFFAOYSA-N	194.511	2.262	50	40	AEGB	
FC(F)n1ccc(CCl)n1	72209439	ISICYNAOHDPNEQ-UHFFFAOYSA-N	166.558	2.017	50	40	AEGB	
Cc1occc1C(=O)CCl	87224315	PMJAYEWPZAQBFC-UHFFFAOYSA-N	158.584	2.010	50	40	AEGB	
O=C(CCl)c1cccc(F)c1F	40433927	MDIRNNQCNIDIIJ-UHFFFAOYSA-N	190.576	2.386	50	40	AEGB	
CC(C)Cn1ccc(CCl)n1	238854517	ODFUVTRZDCHXCM-UHFFFAOYSA-N	172.659	2.278	50	40	AEGB	
C/C(C=O)=C\c1ccc([N+](=O)[O-])cc1	5808009	UTNWCRRIRXIRHG-SOFGYWHQSA-N	191.186	2.197	50	40	AEGB	
CCCC[C@@H](CC)/C(C)=N\NC(N)=O	16927802	CSNRQKYOXIHLFE-ZPBHHCQCSA-N	199.298	2.247	50	40	AEGB	
BrC1[C@@H]2C=C[C@H]1CC2	54959960	XFPAUZYYSFLZRD-MEKDEQNOSA-N	173.053	2.346	50	40	AEGB	
N#CC(C(N)=O)=C1CCCCCCC1	205831569	HBTNFJUTOUWJPD-UHFFFAOYSA-N	192.262	2.036	50	40	AEGB	
C[C@H](Br)C(=O)C1CCC1	238856899	XPFRRNUECDZICA-YFKPBYRVSA-N	191.068	2.139	50	40	AEGB	
C#CCCCCBr	2578896	WDNFOERVYIUQPG-UHFFFAOYSA-N	161.042	2.185	50	40	AEGB	in-vitro
Cl[C@H]1C[C@H]2CC[C@H]1C2	101153914	PJWBUKHIZPKRJF-ACZMJKKPSA-N	130.618	2.414	50	40	AEGB	
N#CC(C(=O)O)=C1CCCCCC1	1562242	NIELPQPXTHBYNY-UHFFFAOYSA-N	179.219	2.245	50	40	AEGB	
O=C(N=C=S)OCc1ccccc1	72427599	XBNBAQHNOPTJOR-UHFFFAOYSA-N	193.227	2.426	50	40	AEGB	
N#Cc1ccc(CCl)s1	95762218	BLQFBMALAUWUSY-UHFFFAOYSA-N	157.625	2.359	50	40	AEGB	
Cc1nc(N(C)C)ccc1CCl	72224139	QIZMHCMYHDZFLO-UHFFFAOYSA-N	184.670	2.195	50	40	AEGB	
Fc1cccc2nc(CCl)cn12	32915095	JFIIICGKUFLQNF-UHFFFAOYSA-N	184.601	2.212	50	40	AEGB	
CCCOCCCCl	37025377	QODHJTGZDDJFDK-UHFFFAOYSA-N	136.622	2.042	50	40	AEGB	
O=C/C=C/[C@H]1CC=CCC1	4429377	BJUAGQHDGHROOO-IYNCYZAOSA-N	136.194	2.098	50	40	AEGB	
O=CC=Cc1ccc(F)cc1	1857775560	YSIYEWBILJZDQH-UHFFFAOYSA-N	150.152	2.038	50	40	AEGB	
CC(C)(C)C(=O)NNc1ccccc1	51188	CSWKLMCOTOLILI-UHFFFAOYSA-N	192.262	2.176	50	40	AEGB	
Cc1cc2c(cc1CCl)OCO2	39017871	POLAVUVVBKLQNP-UHFFFAOYSA-N	184.622	2.463	50	40	AEGB	in-vitro
O=C(Cl)OC(CCl)CCl	100070817	WPRAJCBWNFZEAS-UHFFFAOYSA-N	191.441	2.208	50	40	AEGB	in-vitro
CC1CCC(=NNC(=O)C2CC2)CC1	4113308	CMSWFUQNFMXVPX-UHFFFAOYSA-N	194.278	2.079	50	40	AEGB	
Cc1cccc(/C(C=O)=C/N(C)C)c1	39241599	OUWJFRKQPCPPQZ-XYOKQWHBSA-N	189.258	2.096	50	40	AEGB	
CC(C)CC(C)(C)NC(=O)CCl	225298097	PUSQNWUVJFKSPC-UHFFFAOYSA-N	191.702	2.166	50	40	AEGB	
COC1CCC(Br)CC1	98209971	WJSWDBBDRNUKSH-UHFFFAOYSA-N	193.084	2.339	50	40	AEGB	in-vitro
O=C1c2ccccc2CC[C@@H]1Cl	6576116	COUZZRHRWFDSCY-VIFPVBQESA-N	180.634	2.423	50	40	AEGB	in-vitro
C[C@@H](Cl)C(=O)Cc1ccccc1	36379501	KZYJDRDACPTHPU-MRVPVSSYSA-N	182.650	2.426	50	40	AEGB	
CCc1ccc(CCCl)nc1	5422842	JLDJBDXBFWGQPC-UHFFFAOYSA-N	169.655	2.425	50	40	AEGB	
O=C=Nc1cccc2[nH]ccc12	40448092	WZBUDUAPHLTEEJ-UHFFFAOYSA-N	158.160	2.135	50	40	AEGB	
Cc1ccc2c(C(=O)Cl)n[nH]c2c1	89195984	KPHGENPWZDRAAQ-UHFFFAOYSA-N	194.621	2.250	50	40	AEGB	
CC(C)(CCN)CCBr	1654070	VPONXHIFVFFRQP-UHFFFAOYSA-N	194.116	2.146	50	40	AEGB	
C/C=C(\C#N)c1ccc2c(c1)OCO2	32937876	FLQHMVPWMFMABA-KRXBUXKQSA-N	187.198	2.342	50	40	AEGB	
COc1cc(C)cc(C(=O)Cl)c1	39056692	UCYXTQNNWZAHTN-UHFFFAOYSA-N	184.622	2.383	50	40	AEGB	
C[C@H]1CC(CC(=O)Cl)C[C@H](C)O1	98213510	JITCFJUSEZFLTL-BQBZGAKWSA-N	190.670	2.346	50	40	AEGB	
ClCc1ncc2ccccn12	225780251	JPPXHXAAEZHWBR-UHFFFAOYSA-N	166.611	2.073	50	40	AEGB	
FC(F)n1nccc1CCl	72209441	UWYWXGIJGWBRLN-UHFFFAOYSA-N	166.558	2.017	50	40	AEGB	
C[C@@H](Br)CCC#N	5751213	HCHUIWDKAUWPJE-RXMQYKEDSA-N	162.030	2.074	50	40	AEGB	
OC12CC3C[C@@H](C1)[C@@H](Cl)[C@H](C3)C2	100017690	SQFWORKEUYQZGS-NRTNAPRUSA-N	186.682	2.165	50	40	AEGB	
Nc1cccc(CBr)c1	95093114	RRLCUHSIABCHRW-UHFFFAOYSA-N	186.052	2.164	50	40	AEGB	in-vitro
N#C[C@@H](O)c1ccc(Cl)c(F)c1	100912149	MNTXDZOBHRGASJ-MRVPVSSYSA-N	185.585	2.036	50	40	AEGB	
O=C/C=C/c1cccc(F)c1	21304317	DWPBUTPTXDAJJX-DUXPYHPUSA-N	150.152	2.038	50	40	AEGB	
C/C(C=O)=C\c1ccc(N(C)C)cc1	16942350	ZZNDWTMGGCTTSC-CSKARUKUSA-N	189.258	2.355	50	40	AEGB	
O=CC1=CCCCCC1	5374837	XFXBZUGAKSVCJA-UHFFFAOYSA-N	124.183	2.076	50	40	AEGB