smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#C/C(=C/c1ccc2c(c1)OCO2)c1ccccc1	17198607	GNNCFMBWTKSMJN-ZSOIEALJSA-N	249.269	3.479	50	40	BGGB	
COc1ccc(Cl)c(C(=O)[C@@H](C)Cl)c1	36181720	SPXFAHXZUSFAGM-ZCFIWIBFSA-N	233.094	3.159	50	40	BGGB	
S=C=N[C@H]1CCC[C@@H]1OCc1ccccc1	2548026	XPXSISUCDSDZAB-STQMWFEESA-N	233.336	3.227	50	40	BGGB	
CN[C@@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)[C@H]2Cl	100072895	MZZYFGRZIFMSKE-BSCCGWMCSA-N	241.806	3.418	50	40	BGGB	
S=C=Nc1ccc(Cl)nc1Cl	116799341	USJYOWPOWKXROR-UHFFFAOYSA-N	205.069	3.123	50	40	BGGB	
Cc1c(Cl)cccc1C[C@@H](Cl)C#N	2016217	YYJUXSGXHHPBTK-SECBINFHSA-N	214.095	3.322	50	40	BGGB	
N#C/C(=C/C(Cl)=C\c1ccccc1)C(N)=S	17064009	IOXAKIOTEKNKKK-IKVLVDHLSA-N	248.738	3.002	50	40	BGGB	
COc1c(Cl)cccc1CBr	137748887	PUIPBPXMJUKBQA-UHFFFAOYSA-N	235.508	3.244	50	40	BGGB	in-vitro
O=C(Cl)c1cc(F)c(C(F)(F)F)c(F)c1	2382344	FVZRERRNHCHCNR-UHFFFAOYSA-N	244.546	3.363	50	40	BGGB	
Cc1cc(-c2noc([C@@H](C)Cl)n2)ccc1F	34972895	WVSHKIGAYPPUFM-SSDOTTSWSA-N	240.665	3.484	50	40	BGGB	in-vitro
O=C(CCl)Cc1c(Cl)cccc1Cl	37066111	DLTURKWIGYRHHQ-UHFFFAOYSA-N	237.513	3.344	50	40	BGGB	
O=C(Cl)/C=C/c1ccccc1C(F)(F)F	2540451	GDJNWJYACGEZQJ-AATRIKPKSA-N	234.604	3.484	50	40	BGGB	
CCc1cccc2c(C(=O)CCl)c[nH]c12	3886357	NZRAUEOTKUVXJS-UHFFFAOYSA-N	221.687	3.152	50	40	BGGB	aggregator,in-vitro
CC(C)CCN(C(=O)CCl)c1ccccc1	1586563	LZLJJRXSEJFMSR-UHFFFAOYSA-N	239.746	3.305	50	40	BGGB	
CCCCC(=O)SCCSCCCl	1667158	LEZDIPABYCQBCJ-UHFFFAOYSA-N	240.821	3.408	50	40	BGGB	
CC(C)(C)Cc1cc(Cl)nc(CCl)n1	72209926	YDIQSTHFNVCLDM-UHFFFAOYSA-N	233.142	3.457	50	40	BGGB	
O=C(Cl)Oc1cccc(F)c1Cl	2362803601	OMDSOTVGBBOOGX-UHFFFAOYSA-N	209.003	3.217	50	40	BGGB	
CC1(C)C[C@@H](Br)CC[C@@]1(C)C(=O)O	345393	FAHLSXYAXJYAQK-XVKPBYJWSA-N	249.148	3.051	50	40	BGGB	
ClCCCCC[C@H](CCl)NCCCl	5828625	JJFLTZNZPVIAJK-SECBINFHSA-N	246.609	3.221	50	40	BGGB	
O=C(Cl)O[C@@H](Cl)C(Cl)(Cl)Cl	12405144	RINXZIYBNVEZRT-PVQJCKRUSA-N	246.304	3.297	50	40	BGGB	
COc1ccc(CCl)c(C(F)(F)F)c1	228981184	XFBKUUQFEIZZQY-UHFFFAOYSA-N	224.609	3.453	50	40	BGGB	
COCc1c(C)cc(C)c(C=C(C#N)C#N)c1C	42427	GMTNGKIEQIOKCB-UHFFFAOYSA-N	240.306	3.189	50	40	BGGB	
CCOP(=O)(OCC)O[Si](C)(C)C	196511657	KHEAWOWZPDLMMK-UHFFFAOYSA-N	226.285	3.019	50	40	BGGB	
CCN(C(=O)CCl)c1ccc2ccccc2c1	199758800	QRQYSXOQABYLRO-UHFFFAOYSA-N	247.725	3.432	50	40	BGGB	
CC[C@@H](C)OC[C@H](Br)C(F)(F)F	685967407	MZXVHKBDADOTNA-RITPCOANSA-N	249.070	3.127	50	40	BGGB	
N#C/C(=C/c1cccs1)c1ccccn1	4347850	HLQZGTAQQPBTIG-NTMALXAHSA-N	212.277	3.207	50	40	BGGB	
CC(C)(C)C#C[C@]1(C)C[C@H]1Br	55117100	GFAVMAMCCIXTPT-PSASIEDQSA-N	215.134	3.209	50	40	BGGB	
O=C(Cl)/C=C\c1ccccc1C(F)(F)F	83309403	GDJNWJYACGEZQJ-WAYWQWQTSA-N	234.604	3.484	50	40	BGGB	
Fc1ccc(C#CCBr)cc1Cl	95632862	HWBFWKJNJCIKTE-UHFFFAOYSA-N	247.494	3.226	50	40	BGGB	
Fc1ccc(CCBr)c(Cl)c1	95934517	PYDPEFBTPCEHMH-UHFFFAOYSA-N	237.499	3.417	50	40	BGGB	
CCN(CC)P(=O)(Cl)N(CC)CC	100004448	HKKBJRUSFKTHSU-UHFFFAOYSA-N	226.688	3.017	50	40	BGGB	
N#CC(C#N)=Cc1ccc(N2CCCCCC2)o1	405367	OJGRYDFNLKLAKZ-UHFFFAOYSA-N	241.294	3.091	50	40	BGGB	
COc1ccc(-c2nnc([C@H](C)Cl)o2)cc1	4207319	ALEAVLSVDWVJKM-ZETCQYMHSA-N	238.674	3.045	50	40	BGGB	
CC(=O)c1ccc([C@@H]2C[C@@H]2Br)cc1	4277038	IZPFRNGYGYSBPA-QWRGUYRKSA-N	239.112	3.140	50	40	BGGB	
CCN(CC)c1ccc(/C=C/C=C/C=O)cc1	77291495	LOIWDLDCDYBXOK-KQQUZDAGSA-N	229.323	3.301	50	40	BGGB	in-vitro
ClCCSCc1nc2ccccc2[nH]1	1665883	SYMYDRRCCDAPCY-UHFFFAOYSA-N	226.732	3.035	50	40	BGGB	
ClC[C@H]1CS[C@@H](c2ccccc2)O1	1766759	CTDIIHZYJVLIFA-UWVGGRQHSA-N	214.717	3.056	50	40	BGGB	
CC1=C/C(=N/O)C=C/C1=C(\C#N)c1ccccc1	104257813	USQBNZUXODUGMS-GFSUVLCASA-N	236.274	3.310	50	40	BGGB	
Fc1cccc(CN=C=S)c1Cl	1776010997	OJTDHRSIBTZJAH-UHFFFAOYSA-N	201.653	3.082	50	40	BGGB	
COc1cc(C)c(CBr)c(C)c1	14989459	OBYQOKVGPQZESG-UHFFFAOYSA-N	229.117	3.207	50	40	BGGB	
Cl[C@H]1[C@@H]2[C@H](Cl)C=C[C@@H](Cl)[C@@H]2[C@H]1Cl	104043530	OWAYRJCKLCVBJA-ICCZOJKTSA-N	245.964	3.232	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cc(F)ccc1F	71423612	IDLOMHDDQHGAIU-MRVPVSSYSA-N	218.630	3.165	50	40	BGGB	
CN1C=Nc2sc(Cl)cc2[C@H]1Cl	228133309	IDIJNOYIUPPFKS-LURJTMIESA-N	221.112	3.244	50	40	BGGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)C1	196165993	CNZBOSOGGZNLIG-SNVBAGLBSA-N	214.381	3.130	50	40	BGGB	
N#C/C(=C/c1ccccc1)c1ccc(C(=O)O)cc1	201118298	QXAYCYLXHGKYIV-GDNBJRDFSA-N	249.269	3.449	50	40	BGGB	
CC(C)(C)c1ccc(C(=O)OCCCl)cc1	1689294	VBFUFOSNBJXSRA-UHFFFAOYSA-N	240.730	3.380	50	40	BGGB	
CC(=O)[C@H](Cc1ccccc1Cl)SC#N	3434835	YJUSSVSUGZYYNG-NSHDSACASA-N	239.727	3.054	50	40	BGGB	
CCCc1ccc(C(=O)CBr)cc1	19843002	KLTDFYPYJZETPP-UHFFFAOYSA-N	241.128	3.217	50	40	BGGB	
Cc1onc(-c2ccccc2)c1N=C=S	158495	KNEFMNKZFBOMNG-UHFFFAOYSA-N	216.265	3.384	50	40	BGGB	
Cl[C@H]1CCCC[C@H]1n1nc2ccccc2n1	482056	MPXXTMIXICKMEO-JOYOIKCWSA-N	235.718	3.154	50	40	BGGB	
CCCSC(=O)N[C@@H]1CCCC[C@@H]1Cl	5431903	DKCBOLNTMQQUMC-DTWKUNHWSA-N	235.780	3.389	50	40	BGGB	
CN(C)/C=C\C(=C/C=C(C#N)C#N)c1ccccc1	35229784	AXBLXHKZMRFURK-VSJGXKGZSA-N	249.317	3.119	50	40	BGGB	
BrC1[C@@H]2C=C[C@@H]1c1ccccc12	100879220	QNJJTSARRCDDDL-NXEZZACHSA-N	221.097	3.201	50	40	BGGB	
Fc1cc(Cl)cc(CN=C=S)c1	1776010907	YDPARWFBASWZDB-UHFFFAOYSA-N	201.653	3.082	50	40	BGGB	
CCCCCC[C@H](C)OC(=O)CCl	5512505	IJDHTIMWHATBKH-VIFPVBQESA-N	206.713	3.127	50	40	BGGB	
COc1ccccc1C(=O)CCCCCl	43212769	GHMGFAPMZJCMOW-UHFFFAOYSA-N	226.703	3.287	50	40	BGGB	
CC(C)(CCl)C(=O)c1cccc(C#N)c1	379987259	VUYROCXUFPQVAP-UHFFFAOYSA-N	221.687	3.006	50	40	BGGB	
N#[N+]c1ccc(N(CCCl)CCCl)cc1	4821669	CZIQVHMBWWHAGW-UHFFFAOYSA-N	245.133	3.455	50	40	BGGB	
O=[N+]([O-])c1cc(CCl)c(Cl)nc1Cl	39192916	NKMZKPJIEVZLQX-UHFFFAOYSA-N	241.461	3.035	50	40	BGGB	
Cc1cc(C)cc(C#CCBr)c1	95633045	SBGLJDZZSVAVAC-UHFFFAOYSA-N	223.113	3.050	50	40	BGGB	
C[C@@H]1C(Br)[C@H](C)[C@@H]2CC[C@H]1C2	104146350	AHHXXNZRYQCSGL-MGPGSJOLSA-N	217.150	3.452	50	40	BGGB	
Cl[C@@H](c1ccccc1)c1ccncc1	165573	CPPXBZIVPVVUSG-LBPRGKRZSA-N	203.672	3.410	50	40	BGGB	
Cl[C@@H]1CCCC[C@@H]1n1nc2ccccc2n1	482053	MPXXTMIXICKMEO-SKDRFNHKSA-N	235.718	3.154	50	40	BGGB	
CC1=C/C(=C(\C#N)c2ccccc2)C=C/C1=N/O	5734190	ZIXGUBOBZGPBQZ-WTMIRVJVSA-N	236.274	3.310	50	40	BGGB	
Fc1ccc(C#CCCCCl)cc1F	95631876	WHUHFAXYIXVKCD-UHFFFAOYSA-N	214.642	3.335	50	40	BGGB	
O=C(CCl)c1ccn(C2CCCC2)c1	20131646	XHGDGXUAAIZQMR-UHFFFAOYSA-N	211.692	3.025	50	40	BGGB	
CN(C)C[C@@H](Cl)[C@H](Cl)c1ccccc1	1842944	IQSZGMMFZDOOAV-GHMZBOCLSA-N	232.154	3.136	50	40	BGGB	
CC[C@@H](NC(=O)CCl)c1ccc(Cl)cc1	12505717	WDGQEEFEABQVJJ-SNVBAGLBSA-N	246.137	3.146	50	40	BGGB	
N#Cc1oc2ccccc2c1CBr	16740307	PUXSMPXEPCLMQW-UHFFFAOYSA-N	236.068	3.199	50	40	BGGB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Cl	32225673	VNMCKLVHDJADEB-MXWKQRLJSA-N	232.751	3.229	50	40	BGGB	
N#Cc1c(F)cccc1C(=O)CCCCCl	309211919	HICRDVCNJNAANJ-UHFFFAOYSA-N	239.677	3.289	50	40	BGGB	
ClCCSCCc1ccccc1	1734854	VZLPYBXPXHRGGF-UHFFFAOYSA-N	200.734	3.201	50	40	BGGB	
BrCCc1ccc2ccccc2n1	34183916	LGRIXGWEPBUFKH-UHFFFAOYSA-N	236.112	3.172	50	40	BGGB	
CC[C@H](Cl)C(=O)c1ccc(F)cc1	34560143	KVAOBHMRJUWQEC-VIFPVBQESA-N	200.640	3.026	50	40	BGGB	
CC1(C)[C@@H]2CC[C@]1(CBr)/C(=N/O)C2	100747151	IKYHIBYXYZZBBB-KSJHYXSPSA-N	246.148	3.038	50	40	BGGB	
Cl[C@H]1[C@@H]2C[C@H](c3ccccc32)[C@H]1Cl	100968465	LSZRQYDYYAPANK-DBIOUOCHSA-N	213.107	3.486	50	40	BGGB	
Cc1cc2oc(=O)cc(CCl)c2cc1Cl	535054	PHZRSPOUDXXWJA-UHFFFAOYSA-N	243.089	3.494	50	40	BGGB	biogenic
[C-]#[N+]Cc1cc(Br)ccc1F	95698349	SVZMMSQYCQXLFS-UHFFFAOYSA-N	214.037	3.007	50	40	BGGB	
N#C/C(=C/c1cccc(O)c1)c1cccc(C#N)c1	408565840	BCGSIRWSJVRDMU-CHHVJCJISA-N	246.269	3.328	50	40	BGGB	
CC1(C)C[C@H](Br)CC[C@]1(C)C(=O)O	345395	FAHLSXYAXJYAQK-GMSGAONNSA-N	249.148	3.051	50	40	BGGB	
CCC(C)(CBr)CBr	1712068	KVRNPMSUMNCBPJ-UHFFFAOYSA-N	243.970	3.193	50	40	BGGB	
CC[C@H](C)Oc1ccccc1C=C(C#N)C#N	4656015	NJMWAYHAICEFIJ-NSHDSACASA-N	226.279	3.294	50	40	BGGB	
FC1(F)Oc2ccc(Cl)c(CCl)c2O1	91252133	HOGZOMPUDLWCKK-UHFFFAOYSA-N	241.020	3.400	50	40	BGGB	
N#CC(C#N)=C1CC(=O)c2cc3ccccc3cc21	1857792465	UYSZYWIPEGBWIR-UHFFFAOYSA-N	244.253	3.227	50	40	BGGB	
O=C(CCC1CCCCC1)OCCCl	1586552	OITOHBWNRPNEQA-UHFFFAOYSA-N	218.724	3.129	50	40	BGGB	
Cc1ccc(C)c(NC(=O)CCCCl)c1	6272136	DWTQFASNABOFPW-UHFFFAOYSA-N	225.719	3.261	50	40	BGGB	
C/C(=N\NC(=O)C(C)C)c1cc(C)c(C)cc1C	7785442	RYRZLOKVZSENTI-DTQAZKPQSA-N	246.354	3.108	50	40	BGGB	
Cn1c(CCCCl)nc2cccc(Cl)c21	37444451	FMRMKSCPISSMTJ-UHFFFAOYSA-N	243.137	3.398	50	40	BGGB	
COc1cc(Cl)c(C)cc1CCl	83227922	FZEMCVANOAOZMM-UHFFFAOYSA-N	205.084	3.396	50	40	BGGB	
Cl[C@H]1[C@H]2[C@@H]([C@H](Cl)C=C[C@H]2Cl)[C@H]1Cl	104043522	OWAYRJCKLCVBJA-ACQOQSQZSA-N	245.964	3.232	50	40	BGGB	
Cc1cccc(NC(=O)C(C#N)=C2CCCC2)c1	127263	PGHPCDHGJJUVJP-UHFFFAOYSA-N	240.306	3.328	50	40	BGGB	
N#C[C@@H](Cl)Cc1ccccc1Cl	567991	HWABEMGNVXIVOE-QMMMGPOBSA-N	200.068	3.013	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C\Nc1ccccc1	2561553	QTPNMRHOYXANEB-KHPPLWFESA-N	228.295	3.121	50	40	BGGB	
Fc1c(Br)ccc(CCl)c1F	231721908	CQYRTRYJQPULQF-UHFFFAOYSA-N	241.462	3.466	50	40	BGGB	
CC(=O)N(N=O)c1cc(Cl)ccc1Cl	4962189	JROUBTXZEKMLTE-UHFFFAOYSA-N	233.054	3.028	50	40	BGGB	
Cc1ccc(F)cc1NC(=O)CCCCl	22212394	CDZUJDKQYBNSRZ-UHFFFAOYSA-N	229.682	3.092	50	40	BGGB	
CCCC[C@H](CC)C(=O)OOC(C)(C)C	100049016	WYKYCHHWIJXDAO-JTQLQIEISA-N	216.321	3.476	50	40	BGGB	
O=C/C(=C\Nc1ccccc1)c1ccccc1	3845455	PFBOVADWUCJUPI-SDNWHVSQSA-N	223.275	3.339	50	40	BGGB	
COc1ccc([C@@H]2C[C@@H](C)C=C(C#N)O2)cc1	4267780	QAMQRVKEZVQORK-HZMBPMFUSA-N	229.279	3.200	50	40	BGGB	biogenic
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2)o1	6216184	JTCHWZXPPDRCDW-UKTHLTGXSA-N	237.258	3.378	50	40	BGGB	
Cc1sc2nc([C@@H](C)Cl)nc(N)c2c1C	9220788	STFXLAYTLXETOD-RXMQYKEDSA-N	241.747	3.190	50	40	BGGB	
ClCc1sccc1Br	38342445	KYAGPKKOVYJXIY-UHFFFAOYSA-N	211.511	3.249	50	40	BGGB	in-vitro
CCCC[C@@H](CC)C(=O)OOC(C)(C)C	100049013	WYKYCHHWIJXDAO-SNVBAGLBSA-N	216.321	3.476	50	40	BGGB	
CC(=O)C1=C(C)OC(C)=C(C#N)[C@@H]1c1ccco1	59416584	AMTLWZOZKVXZGB-CQSZACIVSA-N	243.262	3.054	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(C#N)cc1	82076755	UVDVTRPYFKVXQT-JYRVWZFOSA-N	238.290	3.080	50	40	BGGB	
FS(F)(F)(F)(F)c1ncccn1	1888920892	GWZDITLFZGFIJL-UHFFFAOYSA-N	206.139	3.134	50	40	BGGB	
N#C/C(=C/c1ccc(C#N)cc1)c1ccccn1	12367819	NJILFBPLJCTFLJ-ZROIWOOFSA-N	231.258	3.017	50	40	BGGB	
CCOC(=O)/C(C#N)=C1\C[C@H]2C[C@H]1[C@@H](C)C2(C)C	100667665	BSAGGPIZZBRQIX-RWXDVYJASA-N	247.338	3.072	50	40	BGGB	
Clc1cc(Cl)nc(CBr)c1	199555448	HQJPEMSHAFKIJP-UHFFFAOYSA-N	240.915	3.283	50	40	BGGB	
C[C@@H](Cl)C(=O)N1CCC[C@H]1c1cccs1	37497793	HEKRBRLZYDJCIV-BDAKNGLRSA-N	243.759	3.039	50	40	BGGB	in-vitro
CC(C)(C)N(C=C(Cl)Cl)C(=O)F	59366649	GYTFLZFNTPUZOB-UHFFFAOYSA-N	214.067	3.453	50	40	BGGB	
O=C(/C=C/c1ccccc1)OCCCCCl	5584552	FEQBSXAMTOYRIT-CMDGGOBGSA-N	238.714	3.262	50	40	BGGB	
Cc1cc2c(cc1C)[C@@H](Cl)N[C@@H](Cl)N2	100183631	LEBBEVDINUHSNX-UWVGGRQHSA-N	231.126	3.078	50	40	BGGB	
Cc1cc(C)c2c(c1)C(Cl)=C(C=O)CC2	95863128	QOICTAWQJGBNIX-UHFFFAOYSA-N	220.699	3.398	50	40	BGGB	
CC(C)(C)[Si](C)(C)OCC[C@H]1CCCNC1	195991551	XBHDWFMJLMOWCM-GFCCVEGCSA-N	243.467	3.398	50	40	BGGB	
CC[C@H](C)Oc1cccc(C(=O)Cl)c1	8729581	JZFZWJXQTXLDHB-QMMMGPOBSA-N	212.676	3.243	50	40	BGGB	
Cc1ccc(C(=O)CCCCl)s1	38585220	OVBSPUCWAQGWIF-UHFFFAOYSA-N	202.706	3.258	50	40	BGGB	
C[C@@]12CC[C@H](CC1=N)[C@@]2(C)CBr	100834755	NFNOHWOCHNGOBM-SZEHBUNVSA-N	230.149	3.227	50	40	BGGB	
N#CC(=CNc1ccc(O)cc1)c1ccccc1	2049243824	BZOZJNZKJXFUQF-UHFFFAOYSA-N	236.274	3.369	50	40	BGGB	
C[C@H]1CCC/C(=N\NC(=O)C2CCCCC2)C1	12485918	AFDPISFVPQLOOT-VJSMGTLGSA-N	236.359	3.249	50	40	BGGB	
Cc1cc2nc(CCCCl)[nH]c2cc1C	51848123	MKKOQFIKOWHMCV-UHFFFAOYSA-N	222.719	3.351	50	40	BGGB	
CCOC(=O)/C(C#N)=C1\C[C@@H]2CC[C@]1(C)C2(C)C	100568742	ARVCOWFLQDTTAV-XIAJLYEYSA-N	247.338	3.216	50	40	BGGB	
Cc1ccc(SC(=O)[C@H](C)Cl)cc1	4208913	YZFIEIFBYLSJEJ-QMMMGPOBSA-N	214.717	3.241	50	40	BGGB	in-vitro
CC(C)(C)C1CCC(=NNC(=O)C2CC2)CC1	5383587	PSCCPMHTOFCMEG-UHFFFAOYSA-N	236.359	3.105	50	40	BGGB	
Cc1cc(Br)ccc1CCl	57620110	VSKUGNLAWMBJGY-UHFFFAOYSA-N	219.509	3.496	50	40	BGGB	in-vitro
COc1ccc(C(=O)CCCCl)c(C)c1	71453343	GPPJVLDYMJLYIW-UHFFFAOYSA-N	226.703	3.205	50	40	BGGB	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](C(=O)Cl)C2	100102253	DMAJPRJLPDUPBK-RNSXUZJQSA-N	200.709	3.214	50	40	BGGB	
C[Si](C)(CCl)c1ccc(Cl)cc1	195751449	FWDXLPVOTHYLAA-UHFFFAOYSA-N	219.187	3.033	50	40	BGGB	
N#C/C(=C/c1ccncc1)c1ccccc1	4823930	LWLKQRNTRMQQAO-UVTDQMKNSA-N	206.248	3.146	50	40	BGGB	
CC(C)Sc1ccc(CC(=O)Cl)cc1	35587960	QSQIWOLIZGYWCL-UHFFFAOYSA-N	228.744	3.495	50	40	BGGB	
Cc1ccc(C(=O)[C@@H](C)Br)c(C)c1	34729215	VSXMVCFZLLFUSJ-SECBINFHSA-N	241.128	3.270	50	40	BGGB	
N#Cc1ccc(C(=O)CCCCCl)cc1	43212757	JVUPLBNFSQWJOF-UHFFFAOYSA-N	221.687	3.150	50	40	BGGB	
Cc1noc(-c2ccccc2)c1CCl	71873586	RZQZXNDQRBZYKW-UHFFFAOYSA-N	207.660	3.389	50	40	BGGB	
CC(C)CC(=O)Oc1cccc(CCl)c1	199765922	MUICNBPGWMELGY-UHFFFAOYSA-N	226.703	3.377	50	40	BGGB	
Cc1cc(C(=O)NN=C2CCCCCC2)c(C)o1	5119607	HDRDCAGCFHNMPF-UHFFFAOYSA-N	248.326	3.336	50	40	BGGB	
O=C(Cl)CSc1ccc(Cl)cc1	33433514	QPKYZVLFINTHHB-UHFFFAOYSA-N	221.108	3.198	50	40	BGGB	
C[C@H](Cl)C(=O)N1CCC[C@H]1c1cccs1	37497792	HEKRBRLZYDJCIV-IUCAKERBSA-N	243.759	3.039	50	40	BGGB	in-vitro
CCOc1ccc2cc(CCl)cnc2c1	72226735	QKSBQKWGCGUDKW-UHFFFAOYSA-N	221.687	3.372	50	40	BGGB	
COc1cc(C#CCCCCl)cc(OC)c1	95632008	ZYEVPMCQNOEZLH-UHFFFAOYSA-N	238.714	3.074	50	40	BGGB	
ClCCNCc1cc(Cl)cc(Cl)c1	1657372	BUTMRHFHFVUZEV-UHFFFAOYSA-N	238.545	3.322	50	40	BGGB	
CC1(C)CCC[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@H]12	15147910	AZJUJOFIHHNCSV-GZBFAFLISA-N	234.339	3.163	50	40	BGGB	biogenic
BrC1[C@H]2C=C[C@@H]1c1ccccc12	68677232	QNJJTSARRCDDDL-ZACCUICWSA-N	221.097	3.201	50	40	BGGB	
CCOc1ccc(CCl)cc1OCC	3319080	TXBSWQWDLFJQMU-UHFFFAOYSA-N	214.692	3.223	50	40	BGGB	
COc1cc(CCl)c(CCl)cc1OC	102217629	HBOBUTXJMIXYPE-UHFFFAOYSA-N	235.110	3.181	50	40	BGGB	
CCOc1ccc(OCC)c(N=C=S)c1	21806379	FYRPAIBYOAMRJE-UHFFFAOYSA-N	223.297	3.218	50	40	BGGB	in-vitro
O=C(Cl)c1cc2cccc(Cl)c2[nH]1	196720189	IGYVRRVRBQUTEF-UHFFFAOYSA-N	214.051	3.200	50	40	BGGB	
C[C@@H](Cl)C[C@@H](Cl)C(=O)c1ccccc1	2512328	OIRCYOYIMDSYTD-PSASIEDQSA-N	231.122	3.494	50	40	BGGB	
BrCCOCCCc1ccccc1	45627672	DICNXGISZKGLBC-UHFFFAOYSA-N	243.144	3.031	50	40	BGGB	
COc1cccc([C@H](C#N)O[Si](C)(C)C)c1	195852208	BCMKFMIXDLPHAK-LBPRGKRZSA-N	235.359	3.111	50	40	BGGB	in-vitro
BrCc1cc2ccccc2[nH]1	113466159	LTGKBBPAGNEDIP-UHFFFAOYSA-N	210.074	3.063	50	40	BGGB	
ClCc1ccc(Br)s1	20077998	RGAWORKAZJRWOL-UHFFFAOYSA-N	211.511	3.249	50	40	BGGB	in-vitro
CCCC[C@@H](CC)CNC(=O)CCCCl	6042904	OEPGTWXYVQAXOC-LLVKDONJSA-N	233.783	3.338	50	40	BGGB	
CC[C@@H](C)/C(C)=N/NC(=O)c1ccc(C)cc1C	6052593	AGMMIWVTQRGODP-IVDGFRAVSA-N	246.354	3.455	50	40	BGGB	
O=C1C=CC(F)=C/C1=C1/SSN=C1Cl	32165706	WKZLSAJLMCWAOZ-ALCCZGGFSA-N	247.703	3.180	50	40	BGGB	
CC(C)C1=CC(=C(C#N)C#N)c2ccccc2O1	96306250	SSYQHKBZUKHWHD-UHFFFAOYSA-N	236.274	3.420	50	40	BGGB	
CC[C@H](Cl)C(=O)c1cccc(OC(F)F)c1	309368379	QFJPRASJRAZDQE-VIFPVBQESA-N	248.656	3.488	50	40	BGGB	
COc1c(Cl)cc(C(=O)Cl)cc1Cl	2388861	XWIGDNQZKUVSQD-UHFFFAOYSA-N	239.485	3.381	50	40	BGGB	
N#CC1=C(/N=C/c2ccc(F)cc2)CCC1	3162380	IOAOCIIMWVYNCH-CXUHLZMHSA-N	214.243	3.206	50	40	BGGB	
O=C(Cl)c1ccc(C(F)(F)F)nc1Cl	67801577	WPPJGHKCGNVACP-UHFFFAOYSA-N	243.999	3.133	50	40	BGGB	
CC(C)COc1ccc(C=C(C#N)C#N)cc1	6827211	WCPBIRFRZCATGH-UHFFFAOYSA-N	226.279	3.152	50	40	BGGB	
Fc1cccc(F)c1CCCBr	70791571	LVIQDVWDGUSTIG-UHFFFAOYSA-N	235.071	3.292	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	83261707	OKNFSCQEZGLFOU-FLIBITNWSA-N	231.270	3.348	50	40	BGGB	
COc1ccccc1/C=C(\C#N)c1ccccn1	5895211	FKWZGTJNJNMRBF-JLHYYAGUSA-N	236.274	3.154	50	40	BGGB	
COc1cc(Br)ccc1CCl	37475921	DYSZRNLPDPCOJK-UHFFFAOYSA-N	235.508	3.197	50	40	BGGB	
CC12[C@H]3CC(C[C@H]31)[C@@]2(C)CBr	98175146	AALZFQPZRNVYHT-XSJBAMTNSA-N	215.134	3.064	50	40	BGGB	
COc1ccc(C(=O)[C@@H](C)Cl)c(Cl)c1	36767284	IYLQNDIZTVEDSV-ZCFIWIBFSA-N	233.094	3.159	50	40	BGGB	
CN[C@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)[C@@H]2Cl	100072892	MZZYFGRZIFMSKE-PRFQISJJSA-N	241.806	3.418	50	40	BGGB	
F[C@H](C(F)(F)F)C(F)(F)OCCCCl	1083807917	BRLJBDOQPQGJLJ-SCSAIBSYSA-N	244.562	3.125	50	40	BGGB	
CCOC(=O)c1ccc(CCCCl)cc1	1748571	FJPSLYUVUOMQDO-UHFFFAOYSA-N	226.703	3.035	50	40	BGGB	
CN(C(=O)CCl)c1ccc2ccccc2c1	199759008	RRFITZFGUIIJSU-UHFFFAOYSA-N	233.698	3.041	50	40	BGGB	
CCCCCCC(=O)N/N=C/c1ccc(C)cc1	1956806	WOANUMZZNGDURJ-FOWTUZBSSA-N	246.354	3.416	50	40	BGGB	
COc1cc(CCl)ccc1OC(F)F	4206018	YLTANSJPESYTNP-UHFFFAOYSA-N	222.618	3.035	50	40	BGGB	in-vitro
Fc1ccc(-c2cnc(CCl)o2)cc1	12505054	MZRZFKJAXITFSB-UHFFFAOYSA-N	211.623	3.220	50	40	BGGB	
CCn1c(CCl)nc2cccc(Cl)c21	37412705	MCAMWKNSTALBGS-UHFFFAOYSA-N	229.110	3.448	50	40	BGGB	
CC(C)CCOc1ccc(C(=O)Cl)cc1	95739815	WHRQHJJRQSSTQR-UHFFFAOYSA-N	226.703	3.491	50	40	BGGB	
COc1ccc(-c2nnc([C@@H](C)Cl)o2)cc1	4207320	ALEAVLSVDWVJKM-SSDOTTSWSA-N	238.674	3.045	50	40	BGGB	
COc1ccc(CCl)cc1CCl	1598499	ZBQXEAIGIXABOB-UHFFFAOYSA-N	205.084	3.173	50	40	BGGB	
C[C@@H](Cl)C(=O)c1ccc(Br)cc1	3337370	XWLIUMZBOPOTCS-ZCFIWIBFSA-N	247.519	3.259	50	40	BGGB	
O=C/C(=C(\Cl)C(F)(F)F)c1ccccc1	34542864	FFGRIAPCGIYWJS-CMDGGOBGSA-N	234.604	3.398	50	40	BGGB	
Fc1cccc2nc(CCl)sc12	45236430	YDUXATWAZLYOBE-UHFFFAOYSA-N	201.653	3.174	50	40	BGGB	
CC[C@@H]1N[C@H]1CCO[Si](C)(C)C(C)(C)C	169811416	YELJXPORFJRBJY-QWRGUYRKSA-N	229.440	3.149	50	40	BGGB	
N#C/C(=C/c1ccccc1)c1ccc2c(c1)OCO2	409362189	ICWQGOMFJVJGBD-ZSOIEALJSA-N	249.269	3.479	50	40	BGGB	
O=C(Cl)c1cccc2c([N+](=O)[O-])cccc12	1596368	SKOUMIMRECKBJZ-UHFFFAOYSA-N	235.626	3.127	50	40	BGGB	
CSc1cccc(C(=O)[C@@H](C)Cl)c1	306930020	BEZLLBSCVWQDIP-SSDOTTSWSA-N	214.717	3.219	50	40	BGGB	
N#C/C(=C/C(Cl)=C/c1ccccc1)C(N)=S	2029047	IOXAKIOTEKNKKK-LXQMTTSMSA-N	248.738	3.002	50	40	BGGB	
O=C(N=C=S)c1ccc2ccccc2c1	2650225	IGDMFCQPAMIOMX-UHFFFAOYSA-N	213.261	3.083	50	40	BGGB	
C[C@@H]1CCC/C(=N\NC(=O)C2CCCCC2)C1	12485911	AFDPISFVPQLOOT-QORHXFOUSA-N	236.359	3.249	50	40	BGGB	
N#CC(=C1CCCC1)c1nc2ccccc2[nH]1	12599531	DBNARQJLMUTZOU-UHFFFAOYSA-N	223.279	3.414	50	40	BGGB	
C[C@H](Cl)C(=O)c1ccc(F)cc1Cl	238424201	JNJVEJORUPKNAM-YFKPBYRVSA-N	221.058	3.289	50	40	BGGB	
O=C(Cc1cccc2ccccc12)OCCCl	1676823	ALLDSFKMNAEFNT-UHFFFAOYSA-N	248.709	3.164	50	40	BGGB	
Cc1ccc(-c2noc([C@@H](C)Cl)n2)cc1F	12505402	MPQOYQMCDQZTRB-SSDOTTSWSA-N	240.665	3.484	50	40	BGGB	
Cc1cccc(SCCBr)c1	40695722	VBHNOFCIYHSWBO-UHFFFAOYSA-N	231.158	3.482	50	40	BGGB	in-vitro
O=C(c1cc(Cl)ccc1O)C(Cl)Cl	97966041	UIIOJXLXUOQCSV-UHFFFAOYSA-N	239.485	3.032	50	40	BGGB	
CC12[C@H]3CC(C[C@H]31)[C@]2(C)CBr	100646438	AALZFQPZRNVYHT-RTDTXEGNSA-N	215.134	3.064	50	40	BGGB	
CC[C@H](C)OC[C@@H](Br)C(F)(F)F	685967405	MZXVHKBDADOTNA-NTSWFWBYSA-N	249.070	3.127	50	40	BGGB	
FC(F)(F)O[C@@H]1CCC[C@H](Br)C1	952958869	ZSYIMROQPANBJX-NTSWFWBYSA-N	247.054	3.229	50	40	BGGB	
N#C/C(=C\c1ccncc1)c1nc2ccccc2[nH]1	4150152	UAYSGZKWDMQVHC-FMIVXFBMSA-N	246.273	3.022	50	40	BGGB	
CC(C)Oc1cccc(CBr)c1	32625188	KDDVZGFLGMXKRC-UHFFFAOYSA-N	229.117	3.369	50	40	BGGB	in-vitro
CCCCCC[C@@]1(C)OC[C@H](CCl)O1	1676842	AMTFVXCQVSYQLD-QWRGUYRKSA-N	220.740	3.327	50	40	BGGB	
C/C(=N/NC(=O)c1ccc(C)cc1)C(C)(C)C	12403733	QMZGXROLSBFEGQ-PTNGSMBKSA-N	232.327	3.147	50	40	BGGB	
Fc1ccccc1-c1cc(CCl)no1	20315393	HMNSMZAKTCXHNT-UHFFFAOYSA-N	211.623	3.220	50	40	BGGB	in-vitro
C=C(C#N)[C@@H](O)c1ccc(-c2ccccc2)cc1	12899119	MGMVNBRWHCRGNC-MRXNPFEDSA-N	235.286	3.467	50	40	BGGB	
FC(F)(F)c1ccc2nc(CCl)[nH]c2c1	91696214	BETJTXDRGZCHGD-UHFFFAOYSA-N	234.608	3.321	50	40	BGGB	in-vitro
Fc1cc(F)c2nc(CCl)sc2c1	96875517	QGNSLXIHBXRAJG-UHFFFAOYSA-N	219.643	3.313	50	40	BGGB	
FC(F)(F)c1nc(CCl)c2ccccn12	225745000	GOHGNQJRSAAXCH-UHFFFAOYSA-N	234.608	3.092	50	40	BGGB	
N#C/C(=C/c1cccc(N)c1)c1ccccc1	12410402	ZCMDYXPGLAXASB-ZROIWOOFSA-N	220.275	3.333	50	40	BGGB	
Cc1ccc(C(F)(F)F)c(C(=O)Cl)c1	39712955	NCYKRETVOYIKLJ-UHFFFAOYSA-N	222.593	3.393	50	40	BGGB	
Cl[C@@H]1CCCC[C@H]1n1nc2ccccc2n1	482054	MPXXTMIXICKMEO-BXKDBHETSA-N	235.718	3.154	50	40	BGGB	
Fc1ccc(-c2oncc2CCl)cc1	72226830	XRNUPLRJGQZSLG-UHFFFAOYSA-N	211.623	3.220	50	40	BGGB	
ClCCCc1ncc2cc(Cl)ccc2n1	396141510	MOGGOBBYSZGBBD-UHFFFAOYSA-N	241.121	3.455	50	40	BGGB	
FC(F)(F)Oc1cccc(OCCl)c1	2362803831	QRPRHDUKKXXXPV-UHFFFAOYSA-N	226.581	3.160	50	40	BGGB	
CCCCCN(CCCCC)C(=O)CCl	1586556	SFGHQGBVSJVFIC-UHFFFAOYSA-N	233.783	3.434	50	40	BGGB	
C[C@@H]1CC[C@@](C)(C(=O)CCl)C1(C)C	1667713	OYJLMFZEDUFKIS-KCJUWKMLSA-N	202.725	3.257	50	40	BGGB	
CC(C)c1ccc(/C=C(\C#N)C(N)=S)cc1	1925596	MORYERKWWXSMJE-KPKJPENVSA-N	230.336	3.003	50	40	BGGB	
C[C@]12CCCC[C@H]1CC[C@H](Br)C2=O	5104377	PMLLVFFVWVCOFH-QXEWZRGKSA-N	245.160	3.309	50	40	BGGB	
Cc1nc(-c2cccnc2)cc(C(=O)Cl)c1C	685937014	HCTBGWTWEIQPCE-UHFFFAOYSA-N	246.697	3.139	50	40	BGGB	
N#C/C(=C\O)c1cccc(C(F)(F)F)c1	100542626	UUHQFPZKTAMWSO-SOFGYWHQSA-N	213.158	3.128	50	40	BGGB	
Cc1cc(Cl)cc2[nH]c(CCl)nc12	1439028	BFXGZJMJZQEFBP-UHFFFAOYSA-N	215.083	3.264	50	40	BGGB	
CCc1ccc2c(CCl)cc(=O)oc2c1	3321767	MXSFELXUKWXHOZ-UHFFFAOYSA-N	222.671	3.094	50	40	BGGB	in-vitro
C[C@@H](Cl)C(=O)c1cccc(Cl)c1	38861811	ZLIOMKNHDYJAFI-ZCFIWIBFSA-N	203.068	3.150	50	40	BGGB	
CC(C)COc1cc(C(=O)Cl)cc(F)c1F	95739777	ZUXREWZFGMULEZ-UHFFFAOYSA-N	248.656	3.379	50	40	BGGB	
Cc1sc2nc([C@H](C)Cl)nc(N)c2c1C	9220789	STFXLAYTLXETOD-YFKPBYRVSA-N	241.747	3.190	50	40	BGGB	
C[C@@H]1Cc2cc(-c3cc(CCl)no3)ccc2O1	62716543	CAMKJBPGXJMBTC-MRVPVSSYSA-N	249.697	3.404	50	40	BGGB	
FC(F)(F)[C@@H]1CC[C@H](Br)C1	256052648	ODLVCEJXSQMGSK-UHNVWZDZSA-N	217.028	3.112	50	40	BGGB	
Cn1ccnc1[C@@H](Cl)c1ccc(Cl)cc1	22115143	LBCZSAYEIRRXRZ-JTQLQIEISA-N	241.121	3.402	50	40	BGGB	
O=Cc1cc(Cl)ccc1CBr	77024625	IBQSIWTXBHCRIW-UHFFFAOYSA-N	233.492	3.047	50	40	BGGB	
Cc1ccc(C)c(-c2ccnn2CCCl)c1	96527641	YWJBUIIKPMPKKG-UHFFFAOYSA-N	234.730	3.406	50	40	BGGB	
C[Si](C)(C)C/C=C\C(=O)O[Si](C)(C)C	195751505	SUHKAEVNVTYNIE-FPLPWBNLSA-N	230.456	3.259	50	40	BGGB	
N#Cc1ccc(C(=O)CCCCCl)cc1F	309479759	WMFFBYICQTUEQQ-UHFFFAOYSA-N	239.677	3.289	50	40	BGGB	
O=C(c1ccccc1)[C@@H](Cl)CCCl	100015039	JIXUCRDJWSDLRP-VIFPVBQESA-N	217.095	3.106	50	40	BGGB	
C[C@@H](Cl)C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2	251062424	VRYIZHDUMSOMJY-BREBYQMCSA-N	243.778	3.041	50	40	BGGB	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Cl	3289742	COXOTSLMVCSSMG-ZETCQYMHSA-N	221.687	3.286	50	40	BGGB	in-vitro
Cc1ccc(F)cc1CCBr	55230846	RESPYHRAGKBCPV-UHFFFAOYSA-N	217.081	3.072	50	40	BGGB	
Fc1ccc(CCl)cc1Br	55412825	WVZWBCYWQAZDTK-UHFFFAOYSA-N	223.472	3.327	50	40	BGGB	
CCCSC(=O)N[C@H]1CCCC[C@@H]1Cl	5431905	DKCBOLNTMQQUMC-IUCAKERBSA-N	235.780	3.389	50	40	BGGB	
COc1ccccc1-c1nc(CCl)c(C)o1	39320278	QMMLKPSOYQWNEP-UHFFFAOYSA-N	237.686	3.397	50	40	BGGB	
FC(F)(F)c1nc(Cl)ccc1CCl	95829372	FQIAUXNJSLDTPL-UHFFFAOYSA-N	230.016	3.493	50	40	BGGB	in-vitro
COc1cccc([C@@H](C#N)O[Si](C)(C)C)c1	195870764	BCMKFMIXDLPHAK-GFCCVEGCSA-N	235.359	3.111	50	40	BGGB	in-vitro
CC[C@@H](Cl)C(=O)c1ccc(F)cc1F	307675812	GCBPRBMQKJIMAO-MRVPVSSYSA-N	218.630	3.165	50	40	BGGB	
C[C@@H]1CCCC/C1=N\NC(=O)c1cccc(F)c1	5920158	FIAXBBBECCFYPC-OIRDJALBSA-N	248.301	3.122	50	40	BGGB	
FC(F)n1c(CCl)nc2ccccc21	12505246	LOSUQGGSSQITBS-UHFFFAOYSA-N	216.618	3.170	50	40	BGGB	in-vitro
O=C(Cl)Nc1ccccc1C(F)(F)F	98174995	OJMYYQMVVXFKDT-UHFFFAOYSA-N	223.581	3.476	50	40	BGGB	
Cc1c(Cl)cccc1C(=O)[C@@H](C)Cl	238427401	ZIYNYEHCZBZBOP-SSDOTTSWSA-N	217.095	3.458	50	40	BGGB	
CC(C)(CCl)C(=O)c1ccc(F)c(F)c1	382702428	PKXCQCLDJXLNBA-UHFFFAOYSA-N	232.657	3.413	50	40	BGGB	
N#CC1=C(Cl)N[C@@H]2CCCCCCC2=C1C#N	78550143	YIBPPLHIEYEWEF-GFCCVEGCSA-N	247.729	3.107	50	40	BGGB	
ClCc1c(Cl)cncc1Br	95935306	HESFCQAZGPOUSQ-UHFFFAOYSA-N	240.915	3.236	50	40	BGGB	
C[C@@]12CC[C@@H](C/C1=N\O)[C@]2(C)CBr	529102	AWBFTBBHLBKDMO-OLMDYYAXSA-N	246.148	3.038	50	40	BGGB	
COc1ccccc1[C@]1(O)CCCC[C@H]1Cl	1615127	KJCNELHODXELHT-CHWSQXEVSA-N	240.730	3.064	50	40	BGGB	
Cc1ccc(C(C)C)c(OCC(=O)N=C=S)c1	70461486	QNOSSCXYQOTYAT-UHFFFAOYSA-N	249.335	3.127	50	40	BGGB	
CC1(C)[C@@H](C(Cl)Cl)CC[C@@]1(C)C(=O)O	107108448	XXAHLJCEUPJYHD-LDWIPMOCSA-N	239.142	3.317	50	40	BGGB	
COc1c(Cl)ccc(Cl)c1C(=O)Cl	5732299	LLUYGIUJQSTELT-UHFFFAOYSA-N	239.485	3.381	50	40	BGGB	
C[C@@H](Br)CCCOCC(F)(F)F	43662932	IICVMAFRPNNEPO-ZCFIWIBFSA-N	249.070	3.129	50	40	BGGB	
CC[C@H]1N[C@@H]1CCO[Si](C)(C)C(C)(C)C	169811413	YELJXPORFJRBJY-GHMZBOCLSA-N	229.440	3.149	50	40	BGGB	
CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)C1	196110308	CNZBOSOGGZNLIG-JTQLQIEISA-N	214.381	3.130	50	40	BGGB	
N#C/C(=C\c1cccc(Cl)c1)c1ccno1	12814453	LJIVJSJIONNUQR-UXBLZVDNSA-N	230.654	3.392	50	40	BGGB	
O=C/C=C/c1ccc(Cl)c(Cl)c1	39416520	KRIZSOUMJXQNGU-OWOJBTEDSA-N	201.052	3.206	50	40	BGGB	in-vitro
FC(F)(F)[C@@H](Cl)C(F)(Cl)Cl	63148453	WFHFXEYKXJKYMG-SFOWXEAESA-N	219.392	3.257	50	40	BGGB	in-vitro
CCn1nc(C)cc1-c1csc(CCl)n1	96528235	ZRRWBHQBDTUFLL-UHFFFAOYSA-N	241.747	3.074	50	40	BGGB	
O=C(NN=C1CCCCCCC1)c1ccco1	5676881	LNOPZOVPRGGZCP-UHFFFAOYSA-N	234.299	3.110	50	40	BGGB	
COc1c(C)cc(Cl)cc1C(=O)Cl	40545307	PSOREAUOSDJOCZ-UHFFFAOYSA-N	219.067	3.036	50	40	BGGB	
O=CC1=C(Cl)c2cc(Cl)ccc2CC1	1857793539	IHYRLRMNFPSQRM-UHFFFAOYSA-N	227.090	3.435	50	40	BGGB	
Cc1ccc2cc(CBr)ccc2n1	4272155	OTZHQYZZYJSBOK-UHFFFAOYSA-N	236.112	3.438	50	40	BGGB	
O=C(Cl)C1(c2cccc(Cl)c2)CC1	11884442	MQTIQKKLOBAJEC-UHFFFAOYSA-N	215.079	3.137	50	40	BGGB	
C[C@H](Br)c1cccc(F)c1	57214452	OGJJCUDCZNSGDK-LURJTMIESA-N	203.054	3.282	50	40	BGGB	
CCC(CC)=NNC(=O)[C@@H]1C[C@H]1c1ccccc1	370040	JLUSZRIOVPMCCO-UONOGXRCSA-N	244.338	3.082	50	40	BGGB	
N#C/C(=C/c1cccnc1)c1nc2ccccc2[nH]1	3899324	FFRPRCXHZNQCIA-WQLSENKSSA-N	246.273	3.022	50	40	BGGB	
FC(F)COc1ccc(CCl)cc1	37756190	XWQIOFSYSQGZNM-UHFFFAOYSA-N	206.619	3.069	50	40	BGGB	
CN[C@@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)[C@@H]2Cl	100072889	MZZYFGRZIFMSKE-KYTCRMMBSA-N	241.806	3.418	50	40	BGGB	
CC1(C)[C@H]2CC[C@@]1(CBr)/C(=N/O)C2	100747153	IKYHIBYXYZZBBB-QOKOICMUSA-N	246.148	3.038	50	40	BGGB	
Fc1ccc2nc(CCl)sc2c1	34450935	NRIXPAHXATYPCR-UHFFFAOYSA-N	201.653	3.174	50	40	BGGB	
ClCCCSc1nc2ccccc2[nH]1	35321688	KSAFJBFQZBESOE-UHFFFAOYSA-N	226.732	3.284	50	40	BGGB	
CSc1ccc(C(=O)[C@H](C)Cl)cc1	71453272	SKVCXZYCMIUFSD-ZETCQYMHSA-N	214.717	3.219	50	40	BGGB	
C[C@@H]1C[C@@H](Cl)CC[C@H]1C(=O)OC(C)(C)C	3984020	APMORJJNVZMVQK-KXUCPTDWSA-N	232.751	3.372	50	40	BGGB	biogenic,in-vitro
O=C=Nc1ccc(-c2cccs2)cc1	4277263	VAIMUKOMXZUAKB-UHFFFAOYSA-N	201.250	3.382	50	40	BGGB	
C[C@H](Cl)C(=O)c1ccc(OC(F)F)cc1	308792568	DXQHCNKKESGQFW-LURJTMIESA-N	234.629	3.098	50	40	BGGB	
N#CC(C#N)=Cc1c(Cl)cccc1Cl	1638495	JONNMZZDUHHEOH-UHFFFAOYSA-N	223.062	3.424	50	40	BGGB	
CC[C@H]1CCC/C1=N\NC(=O)c1ccccc1C	4545208	CGDWMBVQEMNIRO-ZLUHGAPXSA-N	244.338	3.291	50	40	BGGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCCCC1	102126500	BJHAKTSLZYFPCJ-UTUJEUERSA-N	248.370	3.105	50	40	BGGB	
C[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1C(=O)OCCCCCl	104824160	UGTUWIDPBVGBTD-FIQHERPVSA-N	242.746	3.007	50	40	BGGB	
CCn1c([C@@H](C)Cl)nc2ccccc21	34962082	HWGJLASXHCNJCD-MRVPVSSYSA-N	208.692	3.356	50	40	BGGB	
BrCCSCc1ccccc1	35321675	YUSCZPWCIWNVSV-UHFFFAOYSA-N	231.158	3.315	50	40	BGGB	
C[C@]1(CBr)[C@H]2CC[C@@]1(C)/C(=N/O)C2	226651954	AWBFTBBHLBKDMO-IWLKKZHXSA-N	246.148	3.038	50	40	BGGB	
COc1ccc(C(=O)CCl)cc1C(C)C	36161796	ASAQBPPKIOHAPP-UHFFFAOYSA-N	226.703	3.240	50	40	BGGB	
Cc1cc(C)cc(-c2nnc(CCl)o2)c1	22155925	FYIAIZAAYAEKDU-UHFFFAOYSA-N	222.675	3.092	50	40	BGGB	
CCCCCCOC(=O)[C@H](Cl)CC	32165550	GAONBEAFOOASRD-SECBINFHSA-N	206.713	3.127	50	40	BGGB	
CN(C)c1ccc(/C=C/C=C/C=C/C=O)cc1	34612483	PIZYNSXKSIBMJE-OKWWDJPNSA-N	227.307	3.077	50	40	BGGB	
O=C(CCCCl)c1cccc(OC(F)F)c1	309332565	UCCNIDCWLYSPJN-UHFFFAOYSA-N	248.656	3.490	50	40	BGGB	
ClCc1nc2cccc(Cl)c2o1	14987877	CBGNQFKWYGLPHN-UHFFFAOYSA-N	202.040	3.220	50	40	BGGB	in-vitro
Clc1ccc(CBr)c(Cl)n1	39193791	IDMWUGLGUSQHAW-UHFFFAOYSA-N	240.915	3.283	50	40	BGGB	
Cc1ccc(-c2nc(CCl)cs2)o1	32627517	IAMVQVPMFFBBOI-UHFFFAOYSA-N	213.689	3.450	50	40	BGGB	in-vitro
O=C(Cl)c1cccc(C(=O)c2ccccc2)c1	39292840	RBBMPXMOUHLZIO-UHFFFAOYSA-N	244.677	3.297	50	40	BGGB	
N#C[C@H](Cl)c1ccc(Br)cc1	45626856	KFLSWBIZJLBAHJ-QMMMGPOBSA-N	230.492	3.253	50	40	BGGB	
COc1ccc(C#CCCCCl)cc1F	95632239	BDCLEUXOKGBXJH-UHFFFAOYSA-N	226.678	3.205	50	40	BGGB	
CCc1cc(C(=O)Cl)c2c(C)cccc2n1	685937537	QOOHFJHFGFRURN-UHFFFAOYSA-N	233.698	3.485	50	40	BGGB	
O=C(CCl)N(Cc1ccco1)c1ccccc1	4219133	BKRYXWOXOXWQPY-UHFFFAOYSA-N	249.697	3.052	50	40	BGGB	
N=NC(=O)NN(c1ccccc1)c1ccccc1	39475131	SLMGZQSBTPBYQR-UHFFFAOYSA-N	240.266	3.480	50	40	BGGB	
COc1ccc2nc(CCl)sc2c1	84199085	UNJWZSNILZUIOZ-UHFFFAOYSA-N	213.689	3.044	50	40	BGGB	in-vitro
CCCCCCCCCCNC(=O)CCl	1665229	FAQNCWLCGOXEOV-UHFFFAOYSA-N	233.783	3.482	50	40	BGGB	
C=CCSc1ccccc1NC(=O)CCl	4206359	BZSMZBXSTLUBKS-UHFFFAOYSA-N	241.743	3.142	50	40	BGGB	
CN(C)/C=C(\C#N)c1c(Cl)cccc1Cl	31775860	PSZWCOPZHWYYEY-BQYQJAHWSA-N	241.121	3.419	50	40	BGGB	
Fc1c(Cl)cccc1CCBr	126469446	KUGLLBOELBLUHN-UHFFFAOYSA-N	237.499	3.417	50	40	BGGB	
CCC[C@@H](O)CC[Si](C)(C)CCl	195760508	CAVDELRVTSRILW-SECBINFHSA-N	208.805	3.024	50	40	BGGB	
CC(C)c1ccc(NC=C(C#N)C#N)cc1	4674752	OXPONECHXJMSFV-UHFFFAOYSA-N	211.268	3.153	50	40	BGGB	
C/C(C=O)=C\c1cc(Cl)cc(Cl)c1O	5516750	PEXXXWSOVATVDS-QHHAFSJGSA-N	231.078	3.301	50	40	BGGB	
C[C@H](c1ccccc1)n1cncc1CCl	59980021	SWNOKXYZTVMAHN-SNVBAGLBSA-N	220.703	3.231	50	40	BGGB	
CC(C)c1cccc(N(C)C(=O)CCl)c1	199755674	RIEVQUIBUWMRCA-UHFFFAOYSA-N	225.719	3.012	50	40	BGGB	
CN(C)c1cccc(C(=O)CCCCCl)c1	382675502	OJOYSALATDMTKM-UHFFFAOYSA-N	239.746	3.344	50	40	BGGB	
O=[S@@]1Nc2cc(Cl)c(Cl)cc2S1	5809713	UDOIKDVVHAHNOS-GFCCVEGCSA-N	240.136	3.090	50	40	BGGB	
CC[C@H](Cl)C(=O)c1ccc(OC)c(C)c1	71423509	DJPPZGKLZSHLGP-JTQLQIEISA-N	226.703	3.204	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccccc1F	306826393	AJFNLIDLUVWVOT-MRVPVSSYSA-N	200.640	3.026	50	40	BGGB	
CC(C)(C)C(=O)Oc1ccc(CCl)cc1	137111421	ITUNDGWVHYGLJF-UHFFFAOYSA-N	226.703	3.377	50	40	BGGB	
C[C@@H]1C[C@H](Cl)CC[C@H]1C(=O)OC(C)(C)C	3984019	APMORJJNVZMVQK-OPRDCNLKSA-N	232.751	3.372	50	40	BGGB	biogenic,in-vitro
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc[nH]3)nc2c1	4535388	FOJWXQHQBXXZJP-DHZHZOJOSA-N	248.289	3.264	50	40	BGGB	
C[C@@H]1C(Br)[C@H](C)[C@H]2CC[C@H]1C2	104146359	AHHXXNZRYQCSGL-KFNHPLCZSA-N	217.150	3.452	50	40	BGGB	
Cc1csc(/C(C#N)=C\c2cccc(O)c2)n1	96021620	AKEXBNKXYGYGHV-WZUFQYTHSA-N	242.303	3.221	50	40	BGGB	
Cc1cccc(-c2oncc2CCl)c1	203615041	VNYQPYXUOAHTPQ-UHFFFAOYSA-N	207.660	3.389	50	40	BGGB	
Cc1cc(C)cc(C(=O)NNc2ccccc2)c1	512844	MBYFWBXCMRADKO-UHFFFAOYSA-N	240.306	3.060	50	40	BGGB	
O=C[C@H](c1ccccc1)[C@@H](Cl)C(F)(F)F	5947626	ULILMOLQLRJVLE-RKDXNWHRSA-N	236.620	3.139	50	40	BGGB	
O=C(CCl)Cc1ccc(Cl)cc1Cl	33466340	ZSZUIXSTLQJBLB-UHFFFAOYSA-N	237.513	3.344	50	40	BGGB	
C/C(C=O)=C\c1ccccc1C(F)(F)F	86208191	FLVRLNFCFKXVDV-SOFGYWHQSA-N	214.186	3.308	50	40	BGGB	in-vitro
CCCCCCC/C(C)=N/NC(=O)OCC	102990116	IELVRLGYUKRNDO-ACCUITESSA-N	228.336	3.469	50	40	BGGB	
Cl[C@@H]1c2ccccc2Cc2cccnc21	13207837	IYPLGEJOJZMFIY-GFCCVEGCSA-N	215.683	3.314	50	40	BGGB	
N#C/C=C(\Cl)c1cccc(OC(F)F)c1	34975185	IRDROZQKDACOBB-WTKPLQERSA-N	229.613	3.391	50	40	BGGB	in-vitro
Cc1c(Br)cccc1CCl	83891091	RBLQMXTZTSXCJV-UHFFFAOYSA-N	219.509	3.496	50	40	BGGB	in-vitro
CC1=C(C=O)COc2cc(Cl)c(C)cc21	2060993150	PYFSTDRQDCNODO-UHFFFAOYSA-N	222.671	3.013	50	40	BGGB	
O=C[C@@H](c1ccccc1)[C@H](Cl)C(F)(F)F	2576668	ULILMOLQLRJVLE-IUCAKERBSA-N	236.620	3.139	50	40	BGGB	
CCCCCCCC/C=C\[C@H]1CC(=O)OC1=O	100013242	UWERUIGPWOVNGG-PRDAAYKISA-N	238.327	3.383	50	40	BGGB	
CC[C@H](Cl)C(=O)c1cc(F)c(F)cc1F	308803049	MZCOMUKYIKNBGN-LURJTMIESA-N	236.620	3.304	50	40	BGGB	
C=CCSS/C=C/C[S@@](=O)CC=C	5193906	IXELFRRANAOWSF-VUDGCMKMSA-N	234.411	3.002	50	40	BGGB	biogenic,in-vitro
N#C/C=C(/c1ccccc1)n1cnc2ccccc21	5338276	JKYCPFCRJPDRLO-GDNBJRDFSA-N	245.285	3.449	50	40	BGGB	
Cl[C@@H]1[C@@H]2CCCC[C@@H](S2)[C@H]1Cl	104282401	SDXOVOPMKQQVDQ-ULAWRXDQSA-N	211.157	3.259	50	40	BGGB	
COc1ccc(F)cc1C(=O)CCCCCl	382680332	APGSNCZBTQDXOR-UHFFFAOYSA-N	244.693	3.426	50	40	BGGB	
O=C(CCCCCl)c1ccc(Cl)nc1	2392747	SWUJSODYRNBTPD-UHFFFAOYSA-N	232.110	3.327	50	40	BGGB	
Cc1ccc(NC(=O)CCCCl)cc1F	22171137	SMUXXMLTAAIQTA-UHFFFAOYSA-N	229.682	3.092	50	40	BGGB	
CCSc1oc(C)cc1C=C(C#N)C#N	137427	BIKAJKZQCLJMER-UHFFFAOYSA-N	218.281	3.131	50	40	BGGB	
Cc1cc(C)c(C(=O)[C@@H](C)Cl)cc1C	3316829	OSAHTYSEKMOORS-SNVBAGLBSA-N	210.704	3.422	50	40	BGGB	in-vitro
O=C(Cl)/C=C/c1cccc(Br)c1	33435008	OUCPCUKNSDNTMD-SNAWJCMRSA-N	245.503	3.228	50	40	BGGB	
C[Si](C)(CCl)OCc1ccccc1	195760519	FDRPPNOOTJIZNS-UHFFFAOYSA-N	214.768	3.186	50	40	BGGB	
CCCC(CCC)=NNC(=O)c1ccc(O)cc1	5163647	ZVTYUIYJWICZMH-UHFFFAOYSA-N	248.326	3.078	50	40	BGGB	
CCCCCCCCCNC(=O)CCl	2159860	YYSQIULSFYSUAV-UHFFFAOYSA-N	219.756	3.092	50	40	BGGB	
O=C[C@H](c1ccccc1)[C@H](Cl)C(F)(F)F	5947625	ULILMOLQLRJVLE-BDAKNGLRSA-N	236.620	3.139	50	40	BGGB	
CCOc1ccc(C(=O)CCCCl)cc1	9237769	QDQLZUUKPONNIX-UHFFFAOYSA-N	226.703	3.287	50	40	BGGB	
Fc1ccc(CBr)c2ncccc12	20283285	PJKGHXPXMQHCQM-UHFFFAOYSA-N	240.075	3.269	50	40	BGGB	
Cc1cc(Cl)ccc1C#CCBr	95633422	OLJSJRWLIPNTPT-UHFFFAOYSA-N	243.531	3.395	50	40	BGGB	
CCOc1ccc2sc(CCl)nc2c1	95950068	UHAONUZYCVKGAJ-UHFFFAOYSA-N	227.716	3.434	50	40	BGGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccccc1	1601773	OIKLEXHAFRNQHO-SDNWHVSQSA-N	248.285	3.232	50	40	BGGB	
Cc1nc(-c2ccccc2)oc1CCl	26340293	OXNKNGMCTHWKAU-UHFFFAOYSA-N	207.660	3.389	50	40	BGGB	
CC(C)COc1cc(C(=O)Cl)ccc1F	95739798	XJLJNSHNAVOENS-UHFFFAOYSA-N	230.666	3.240	50	40	BGGB	
N#C/C(=C\c1ccccc1O)C(=O)c1ccccc1	6222697	OFOGTFVABDKOEJ-GXDHUFHOSA-N	249.269	3.182	50	40	BGGB	
Fc1ccc(C(F)(F)CCl)c(F)c1	77011944	NEVMZNJHAIBJAL-UHFFFAOYSA-N	212.573	3.295	50	40	BGGB	
CC[C@H](Cl)C(=O)c1ccccc1F	306826395	AJFNLIDLUVWVOT-QMMMGPOBSA-N	200.640	3.026	50	40	BGGB	
O=C(CCCCCl)c1ccc2c(c1)OCO2	382686041	FPCRTPAEPDLDQS-UHFFFAOYSA-N	240.686	3.007	50	40	BGGB	
O=C(CCl)c1cc(Cl)c(O)c(Cl)c1	1662492	DBNKASNFWAKPMY-UHFFFAOYSA-N	239.485	3.121	50	40	BGGB	
CC[C@H]1N[C@H]1CCO[Si](C)(C)C(C)(C)C	169811419	YELJXPORFJRBJY-MNOVXSKESA-N	229.440	3.149	50	40	BGGB	
CN[C@@H](C)CC12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2Cl	256311564	MZZYFGRZIFMSKE-TXTBEWNHSA-N	241.806	3.418	50	40	BGGB	
CCCC(CCC)=NNC(=O)Cc1ccccc1	5417341	ONGRDICWHMIDAQ-UHFFFAOYSA-N	246.354	3.302	50	40	BGGB	
CCn1c([C@H](C)Cl)nc2ccccc21	34962083	HWGJLASXHCNJCD-QMMMGPOBSA-N	208.692	3.356	50	40	BGGB	
O=C(Cl)c1ccc(F)cc1OC(F)(F)F	91252004	RAPKOVZLHNOHEJ-UHFFFAOYSA-N	242.555	3.103	50	40	BGGB	
BrCc1cnc2sccc2c1	575441103	YFTUQSLHOZFYGC-UHFFFAOYSA-N	228.114	3.191	50	40	BGGB	
O=C(Oc1ccc(Cl)cc1)C(Cl)Cl	1689186	XBXQIOFECZDDPP-UHFFFAOYSA-N	239.485	3.049	50	40	BGGB	
Fc1cc(Cl)cc(C#CCCl)c1	95633329	ICSZPIIDWMCPES-UHFFFAOYSA-N	203.043	3.069	50	40	BGGB	
COc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1C	44027137	UKNPXZVGNUJVEV-MDWZMJQESA-N	243.306	3.136	50	40	BGGB	
CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(C2)OC[C@H](CCl)O1	100370955	VANNDJWVQQQRBO-DJIHRAIXSA-N	244.762	3.183	50	40	BGGB	
N#C/C(=C/c1ccco1)c1ccc2c(c1)OCO2	409360407	FHRWOUVSNIOMMX-WDZFZDKYSA-N	239.230	3.072	50	40	BGGB	
CCc1cccc2c(C=C(C#N)C#N)c[nH]c12	555717	BEKFYPSVCVMBII-UHFFFAOYSA-N	221.263	3.161	50	40	BGGB	
CC[C@H](Cl)C(=O)c1ccc(F)c(C)c1	71423573	DUWROJVYIONPTF-VIFPVBQESA-N	214.667	3.334	50	40	BGGB	
C[C@@H](Cl)c1nc(Cl)cc(CCl)n1	103673292	ZDKSDRCUYHYPJL-SCSAIBSYSA-N	225.506	3.169	50	40	BGGB	
CC(C)[C@@H](Br)CCBr	252500265	SQOCSLBTGCYXEO-LURJTMIESA-N	243.970	3.191	50	40	BGGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCl	12275533	XHQPKRVACXDVNV-VWYCJHECSA-N	232.751	3.229	50	40	BGGB	in-vitro
COc1ccc(/C(C#N)=C/c2ccco2)cc1	70349	UMUCNUCHSNXBSM-FMIVXFBMSA-N	225.247	3.352	50	40	BGGB	
Cc1cccc(Cl)c1NC(=O)NCCCl	1623481	FZFDNTFTOFLAHC-UHFFFAOYSA-N	247.125	3.009	50	40	BGGB	
CC(C)=C[C@@H]1[C@@H](COC(=O)CCl)C1(C)C	1663797	KNOKNDQYQDPTQN-NXEZZACHSA-N	230.735	3.007	50	40	BGGB	
Fc1cccc2nc(CCl)nc(Cl)c12	219705182	HHFIIWMIARIPPA-UHFFFAOYSA-N	231.057	3.161	50	40	BGGB	
C[C@@H](Br)Cc1ccsc1	62148392	DYUWCHXYYYRQKD-ZCFIWIBFSA-N	205.120	3.074	50	40	BGGB	
ClCc1ccc(OCc2ccccn2)cc1	21516703	KWUGDRNOFXYVDX-UHFFFAOYSA-N	233.698	3.399	50	40	BGGB	in-vitro
CCOC(=O)CCCCCCCCl	66349386	HNHPPZMCJLFGRP-UHFFFAOYSA-N	206.713	3.129	50	40	BGGB	
C[C@H](Br)c1ccc(OCCF)cc1	72226509	LKVMWTYXCWEMKY-QMMMGPOBSA-N	247.107	3.491	50	40	BGGB	
O=C(NNc1ccccc1Cl)c1ccccc1	1638361	SIMPIELSEMHCDD-UHFFFAOYSA-N	246.697	3.097	50	40	BGGB	
COC(CCCCl)(OC)c1ccccc1	71405502	HUEXBUZCESHQHP-UHFFFAOYSA-N	228.719	3.151	50	40	BGGB	
Cc1nn(-c2ccccc2)c(C)c1CCCl	8733274	MAHLRLOXCOTWFF-UHFFFAOYSA-N	234.730	3.270	50	40	BGGB	
COc1cc(C)c(Cl)c(C)c1C(=O)Cl	57339671	MONVBDJPZKIPCD-UHFFFAOYSA-N	233.094	3.344	50	40	BGGB	
CCCc1ccc(C(=O)CCC(=O)Cl)cc1	95836243	XOVMHZCFGDNCTI-UHFFFAOYSA-N	238.714	3.367	50	40	BGGB	
N#CC(C#N)=C1CCS[C@@H]2CCCC[C@H]12	6261918	ATELRZXBXANRBT-VXGBXAGGSA-N	218.325	3.026	50	40	BGGB	
CC(=O)c1ccc(/N=N/NCCCCl)cc1	17887894	DHXVKUASIOKDAB-UHFFFAOYSA-N	239.706	3.106	50	40	BGGB	
CCCCOc1cc(F)cc(C(=O)Cl)c1	95739804	YSRBPRXBISCYNB-UHFFFAOYSA-N	230.666	3.384	50	40	BGGB	
Cc1csc(/C(C#N)=C\c2ccc(O)cc2)n1	96843793	UYLCKNVVTUQFRP-WDZFZDKYSA-N	242.303	3.221	50	40	BGGB	
Fc1ccc(F)c(CCCBr)c1	60712505	IMWOYTFDJCPRFT-UHFFFAOYSA-N	235.071	3.292	50	40	BGGB	
C[C@@H](Br)c1cccc(OCCF)c1	72226525	BLWUCCHLRIRRKT-MRVPVSSYSA-N	247.107	3.491	50	40	BGGB	
CC1=C/C(=C(/C#N)c2ccccc2)C=C/C1=N/O	104255814	ZIXGUBOBZGPBQZ-SRYDFXOISA-N	236.274	3.310	50	40	BGGB	
N#CC(C#N)=Cc1ccc(OC(F)(F)F)cc1	377600	FQBSVBZEJVVQSA-UHFFFAOYSA-N	238.168	3.016	50	40	BGGB	
CCC[C@@H](Br)C(=O)c1ccccc1	21994130	XOQFMNXQYSTQPE-SNVBAGLBSA-N	241.128	3.433	50	40	BGGB	in-vitro
BrCCCCCN1CCCCC1	70492144	CPMOMPUXAPCLEL-UHFFFAOYSA-N	234.181	3.038	50	40	BGGB	
Fc1ccccc1[C@H]1C[C@H]1Br	242648536	QYOBQKVDLFQBBY-HTQZYQBOSA-N	215.065	3.077	50	40	BGGB	
Cc1cc2ccccc2n1CCN=C=S	26422231	SZFWFSHKZQKIDJ-UHFFFAOYSA-N	216.309	3.053	50	40	BGGB	
O=[N+]([O-])c1c(Cl)cccc1SCl	2362804901	PTGBXFGNISFRDS-UHFFFAOYSA-N	224.068	3.494	50	40	BGGB	
COc1c(C)c(C)c(OC)c2c1C[C@@H]2Cl	3848174	NJIMRIZLROIIKY-VIFPVBQESA-N	226.703	3.157	50	40	BGGB	biogenic
Clc1ccc2c(c1)C[C@@H](CBr)O2	19946435	QNHKVVDYBAZLER-QMMMGPOBSA-N	247.519	3.038	50	40	BGGB	
C=C(CBr)c1ccccc1C	100040032	RFUPUHLTYJWLLQ-UHFFFAOYSA-N	211.102	3.403	50	40	BGGB	
Cc1cc(C)c(NC(=O)CCl)c(Cl)c1	2647840	HGGIYEFFQDKDMA-UHFFFAOYSA-N	232.110	3.134	50	40	BGGB	
O=C(Cl)c1cc(Cl)ncc1C(F)(F)F	98213498	MWLLPPGPIGUJFV-UHFFFAOYSA-N	243.999	3.133	50	40	BGGB	
CCCC[C@H](CC)[C@@H]1OC[C@H](CCl)O1	4904066	VXTBURWDRVNELN-GARJFASQSA-N	220.740	3.183	50	40	BGGB	
C[C@@H](c1ccccc1)n1cncc1CCl	59980020	SWNOKXYZTVMAHN-JTQLQIEISA-N	220.703	3.231	50	40	BGGB	
N#CSCc1ccccc1Br	34521449	DCSKEFAAWTZQNJ-UHFFFAOYSA-N	228.114	3.163	50	40	BGGB	
COc1ccc(C2(CBr)CC2)cc1	41284584	FQIXSQYZMVDMTM-UHFFFAOYSA-N	241.128	3.122	50	40	BGGB	
O=C(c1c[nH]c2ccc(F)cc12)C(Cl)Cl	199742338	OXEWVEBHBLYPEO-UHFFFAOYSA-N	246.068	3.293	50	40	BGGB	
O=C(Cl)CCCCc1ccc(F)cc1	11631165	PVXZYVATCBTVKP-UHFFFAOYSA-N	214.667	3.304	50	40	BGGB	in-vitro
FC(F)(F)c1cccc(CCCl)c1	1593157	WRCSFUANACAWCW-UHFFFAOYSA-N	208.610	3.487	50	40	BGGB	
N#C/C(=C/c1ccoc1)c1ccc([N+](=O)[O-])cc1	409208239	BEICLYOUOYBRGU-GHXNOFRVSA-N	240.218	3.252	50	40	BGGB	
COc1ccc(C#CCCCCl)cc1OC	95631962	FBJRBLIOTNELAZ-UHFFFAOYSA-N	238.714	3.074	50	40	BGGB	
Cl[C@H]1C[C@@H](Cl)[C@H](Cl)C[C@H]1Cl	100933478	WCKYEVXZTBRMIY-KAZBKCHUSA-N	221.942	3.210	50	40	BGGB	
N#C/C(=C\c1cccc2ccccc12)C(N)=S	104566	OKOMLADKSDJMQZ-XYOKQWHBSA-N	238.315	3.033	50	40	BGGB	
C=C[C@@H](Cl)CCOCC[C@H](Cl)C=C	1687039	DFDZFIOAMJPBEY-NXEZZACHSA-N	223.143	3.370	50	40	BGGB	
COc1ccc(Cl)cc1/C=C/C=C(C#N)C#N	1709674	HNVCTNZGJAKYMD-DUXPYHPUSA-N	244.681	3.335	50	40	BGGB	
N#C/C(=C/NNc1ccccc1)c1ccccc1	4701442	ODOGSVNMJOREQY-OWBHPGMISA-N	235.290	3.168	50	40	BGGB	
CN(C)[P@](=O)(CCl)Nc1ccccc1	4950655	SHCNCBNWMCBWAI-AWEZNQCLSA-N	232.651	3.050	50	40	BGGB	
C/C(C=C(C#N)C#N)=C/c1cccc(F)c1	5502688	XOBUFLHTLUHPSK-YHYXMXQVSA-N	212.227	3.203	50	40	BGGB	
Fc1ccc(-c2cc(CCl)no2)c(F)c1	26421036	NAVZGANGOKHRRC-UHFFFAOYSA-N	229.613	3.359	50	40	BGGB	
C=C(C)[C@@H]1CC[C@@H](C)O[C@@H]1CBr	12654092	GOOFXTMOTGPMGS-KXUCPTDWSA-N	233.149	3.141	50	40	BGGB	
C/C(=N\NC(=O)C1CCCCC1)c1ccc(C)o1	6278710	UILZTZYAALORRJ-RVDMUPIBSA-N	248.326	3.009	50	40	BGGB	
ClCCc1ncc2cc(Cl)ccc2n1	307018402	QUYLKXZQCUHVCI-UHFFFAOYSA-N	227.094	3.065	50	40	BGGB	
C#CC1CC(O[Si](C)(C)C(C)(C)C)C1	584600195	BFVCRAMXPHGHIG-UHFFFAOYSA-N	210.393	3.420	50	40	BGGB	
ClCCCN1CCCC12CCCCC2	1681047	DAOPOMURWVACFO-UHFFFAOYSA-N	215.768	3.414	50	40	BGGB	
COc1cc(C)c(C(=O)[C@@H](C)Cl)cc1C	36161810	VNDXGHVGFVPYSU-SECBINFHSA-N	226.703	3.122	50	40	BGGB	
Fc1ccc(SCCCl)c(F)c1	37375212	XOGWOZIDZMUMNF-UHFFFAOYSA-N	208.660	3.296	50	40	BGGB	
Fc1ccc(OC(F)(F)F)cc1CCl	75925892	ALJQCSZDTKIHDF-UHFFFAOYSA-N	228.572	3.463	50	40	BGGB	
C[C@]12CC[C@@H](C/C1=N/O)[C@@]2(C)CBr	100320143	AWBFTBBHLBKDMO-BDZCEFFYSA-N	246.148	3.038	50	40	BGGB	
Cc1cccc2sc(C(=O)CCl)nc12	228962052	AXWSHYLWYDBGEV-UHFFFAOYSA-N	225.700	3.026	50	40	BGGB	
Cc1cc(C)c(OCC(=O)Cl)c(Cl)c1	2578573	UEQXFPOBQWQKQF-UHFFFAOYSA-N	233.094	3.101	50	40	BGGB	
Cc1cc(C)c2c(c1)C(=C(C#N)C#N)CCCO2	5724781	RQTPLWHNBRCWMP-UHFFFAOYSA-N	238.290	3.277	50	40	BGGB	
Fc1cccc(Cl)c1-c1noc(CCl)n1	20268770	JIZBWKTVVOMJNL-UHFFFAOYSA-N	247.056	3.268	50	40	BGGB	
CC(C)N(C(=O)CCl)[C@H](C)c1ccccc1	71777655	USDRLZFYQCKNML-LLVKDONJSA-N	239.746	3.223	50	40	BGGB	
COc1ccc(F)cc1C#CCCCCl	95633678	VTNFVXGCVQOUPA-UHFFFAOYSA-N	226.678	3.205	50	40	BGGB	
CCOc1cccc2sc(CCl)nc12	95950065	UMWLGUIITOJWCY-UHFFFAOYSA-N	227.716	3.434	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cccc(OC(F)F)c1	309368368	QFJPRASJRAZDQE-SECBINFHSA-N	248.656	3.488	50	40	BGGB	
CCn1c(C)c(C(=O)CCl)c2ccccc21	9330980	LOBMPDMRXATCNG-UHFFFAOYSA-N	235.714	3.391	50	40	BGGB	
N#C/C(=C/c1ccccn1)c1nc2ccccc2[nH]1	51091043	UOIYATIRBXLMKX-LUAWRHEFSA-N	246.273	3.022	50	40	BGGB	
C[C@@H](Cl)c1nnc(-c2ccc(F)cc2)o1	4206880	BQCAPRZDKMIFJX-ZCFIWIBFSA-N	226.638	3.176	50	40	BGGB	in-vitro
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Cl	5765326	CHLAOFANYRDCPD-XINAWCOVSA-N	227.518	3.343	50	40	BGGB	in-vitro
Cn1c(CCCl)nc2cccc(Cl)c21	36909331	MYMYSCUGJDMHGT-UHFFFAOYSA-N	229.110	3.008	50	40	BGGB	
N#C[C@H](Cl)c1c(F)cccc1Cl	45626883	FSOVTOZIYHZIDE-LURJTMIESA-N	204.031	3.283	50	40	BGGB	in-vitro
Cc1ccc(-c2noc(CCl)n2)cc1C	15829481	RZHPIAZQEOLRGQ-UHFFFAOYSA-N	222.675	3.092	50	40	BGGB	
O=C(Cl)c1cccc2c(F)cccc12	16158725	CESIOMSCHMEAMZ-UHFFFAOYSA-N	208.619	3.358	50	40	BGGB	
Fc1ccc(CCCBr)c(F)c1	60712443	YASBMSOJNYBTSC-UHFFFAOYSA-N	235.071	3.292	50	40	BGGB	
ClC1CCC(NCc2ccccc2)CC1	79436679	HJBXUEFOYNRYEZ-UHFFFAOYSA-N	223.747	3.326	50	40	BGGB	
C[C@H](Cl)C(=O)c1ccc(Cl)c(F)c1	238423829	LNLGOUXUSQNQJG-YFKPBYRVSA-N	221.058	3.289	50	40	BGGB	
CCc1ccc(/C=N/NC(=O)OC(C)(C)C)cc1	3574747	NSTXRCMJFKRBIS-XNTDXEJSSA-N	248.326	3.108	50	40	BGGB	
C[C@@H](Cl)C(=O)c1cc(F)c(Cl)c(F)c1	307439098	UWZOIAYNUZCJOW-SCSAIBSYSA-N	239.048	3.428	50	40	BGGB	
O=C(CCCCl)c1cccc(F)c1	2392790	PLSCLNABOWDJKS-UHFFFAOYSA-N	200.640	3.027	50	40	BGGB	
COc1cc2ccccc2cc1C(=O)Cl	5661241	VFJOJJWSUHOTSF-UHFFFAOYSA-N	220.655	3.227	50	40	BGGB	
O=C(Cl)CCCCCCBr	34510987	ITVRBQPTSLQOKK-UHFFFAOYSA-N	227.529	3.097	50	40	BGGB	
O=C(CCl)[C@H]1CCC[C@@H](C(F)(F)F)C1	96373622	UXNXQTHZFRDYAW-NKWVEPMBSA-N	228.641	3.163	50	40	BGGB	
BrCCCCCCN1CCCC1	145292698	YCPNTBGTGOQDLV-UHFFFAOYSA-N	234.181	3.038	50	40	BGGB	
CC(C)(CCl)C(=O)c1c(F)cccc1F	308808419	PIGDFKJDKHWNBX-UHFFFAOYSA-N	232.657	3.413	50	40	BGGB	
COc1ccc([C@@H](O)CCl)c2ccccc12	1628177	IBLPGJHJYWZCEG-LBPRGKRZSA-N	236.698	3.121	50	40	BGGB	
CCn1cc(C(=O)Cl)c2ccccc21	39057329	BSTOMUBBCNDSQV-UHFFFAOYSA-N	207.660	3.040	50	40	BGGB	
CN(C)c1ccc(C#CCCCCl)cc1	95633028	QZJLQHJVDNHXLD-UHFFFAOYSA-N	221.731	3.123	50	40	BGGB	
Cc1cccc(CN(CCCl)CCCl)c1	95832232	VCTFEDTUWMGTOA-UHFFFAOYSA-N	246.181	3.275	50	40	BGGB	
BrC1[C@H]2CC/C=C/CC[C@H]12	104270429	LXKYTJPGCHYCAW-HIQWKFPQSA-N	201.107	3.126	50	40	BGGB	
C[C@@]12CCCC[C@H]1CC[C@H](Br)C2=O	5104376	PMLLVFFVWVCOFH-ATZCPNFKSA-N	245.160	3.309	50	40	BGGB	
O=C(Cl)c1cc(Cl)ccc1OC(F)F	78406251	VNNCRLQNDSTBNS-UHFFFAOYSA-N	241.020	3.320	50	40	BGGB	
COc1cccc(C(=O)C(C)(C)CCl)c1	382686631	GBUMMEAAOMWXCS-UHFFFAOYSA-N	226.703	3.143	50	40	BGGB	
Fc1ccc2sc(CCl)nc2c1	34247215	ACVAICWJHHSMGT-UHFFFAOYSA-N	201.653	3.174	50	40	BGGB	
O=C(CCl)Cc1ccc2ccccc2c1	47219204	RFMYHSYGIOXRFU-UHFFFAOYSA-N	218.683	3.190	50	40	BGGB	
BrCc1coc(-c2ccccc2)n1	71625254	AFUZYSXNOXTGNH-UHFFFAOYSA-N	238.084	3.237	50	40	BGGB	
CC[C@]1(C)Cc2ccccc2C(CCl)=N1	1824479	JINDIHCPVBWINR-CYBMUJFWSA-N	221.731	3.439	50	40	BGGB	
O=C/C(=C(/Cl)C(F)(F)F)c1ccccc1	2540221	FFGRIAPCGIYWJS-HJWRWDBZSA-N	234.604	3.398	50	40	BGGB	
C[C@@H]1CCC/C(=N\NC(=O)c2ccc(F)cc2)C1	5159838	ZUIJYBYXAQZFIG-OIRDJALBSA-N	248.301	3.122	50	40	BGGB	
FC(F)(F)COc1ccccc1CCl	20567223	FXHSBXFWZKLQLV-UHFFFAOYSA-N	224.609	3.367	50	40	BGGB	
C[C@H]1Cc2cc(CCl)cc(Cl)c2O1	32625234	BWNOBYIFQYAFPW-LURJTMIESA-N	217.095	3.402	50	40	BGGB	in-vitro
O=C1OC(=O)c2c1c1ccccc1c1ccccc21	100494374	RDKMLXMOKXZQMK-UHFFFAOYSA-N	248.237	3.304	50	40	BGGB	
CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCCSC#N)C2	2291219	HHYIHEISKNFHJZ-GMXVVIOVSA-N	239.384	3.432	50	40	BGGB	
CC(C)c1ccc(N(C)C(=O)CCl)cc1	41246595	HXJIFAKLOCDJPD-UHFFFAOYSA-N	225.719	3.012	50	40	BGGB	
CCOc1ccc(-c2cc(CCl)no2)cc1	41279402	BJNILAOOAHEKJI-UHFFFAOYSA-N	237.686	3.479	50	40	BGGB	
C[C@H](Cl)C(=O)c1cc(F)ccc1Cl	238422554	WRSLTFLITVKXMN-YFKPBYRVSA-N	221.058	3.289	50	40	BGGB	
N#C/C(=C/c1ccccc1)C(=O)c1ccccc1	6514120	VOMBBXQRJHALLY-PTNGSMBKSA-N	233.270	3.476	50	40	BGGB	
ClCCOc1ccc2ccccc2c1	1602252	WOSQDGSCRQAGMB-UHFFFAOYSA-N	206.672	3.457	50	40	BGGB	
O=C/C=C(/Cl)c1ccc(Cl)cc1	26893524	IWQMAUVMLFGNGU-WEVVVXLNSA-N	201.052	3.119	50	40	BGGB	
C[C@@H]1[C@H]2C=C[C@@H](C2)[C@@H]1C(=O)OCCCCCl	104824157	UGTUWIDPBVGBTD-NOOOWODRSA-N	242.746	3.007	50	40	BGGB	
ClCc1nccc(Cl)c1CCl	97950271	KBWVFJNTPKEYEJ-UHFFFAOYSA-N	210.491	3.213	50	40	BGGB	
C[C@H](Br)CC[C@H](C)Br	100027671	MQYLGFBWOZXHHF-WDSKDSINSA-N	243.970	3.333	50	40	BGGB	
N#C/C(=C(\N)c1ccccc1)c1ccccc1	104182254	KEKPTCUUOVEUNV-CCEZHUSRSA-N	220.275	3.037	50	40	BGGB	
CSc1ccccc1C(=O)[C@H](C)Cl	307253595	VRGKSGXGAFAZLZ-ZETCQYMHSA-N	214.717	3.219	50	40	BGGB	
C[C@H]1CCN(C(=O)CCCl)c2ccccc21	1690139	UHNUQOTVCXZOPZ-JTQLQIEISA-N	237.730	3.156	50	40	BGGB	
ClCCN(CCCl)CCc1ccccc1	95720294	NSYROPDQXYIHMF-UHFFFAOYSA-N	246.181	3.009	50	40	BGGB	
C=C[C@](C)(CCC=C(C)C)OC(=O)CCl	1633956	KOWCUAVOQZQRRN-GFCCVEGCSA-N	230.735	3.460	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C(/O)Nc1ccccc1	100073235	VVDLDGLXRKPRQN-ACCUITESSA-N	244.294	3.007	50	40	BGGB	
Cc1c(CCl)cc(CC(=O)O)cc1CCl	100797270	AGAGWKIHWFXNMT-UHFFFAOYSA-N	247.121	3.100	50	40	BGGB	
N#Cc1cc(C(=O)CCCCCl)ccc1F	390371895	WCJCXFRCDKDGMH-UHFFFAOYSA-N	239.677	3.289	50	40	BGGB	
Fc1ccc(Cl)cc1CN=C=S	1776010948	JRPUIZJEBQTMRK-UHFFFAOYSA-N	201.653	3.082	50	40	BGGB	
C[C@H]1CC[C@](C)(C(=O)CCl)C1(C)C	1667710	OYJLMFZEDUFKIS-GZMMTYOYSA-N	202.725	3.257	50	40	BGGB	
CCC[C@H](Br)[C@@H](C)Br	2561335	CHNCACSQVNDLSU-RITPCOANSA-N	243.970	3.333	50	40	BGGB	
CCCCCCCOCCOCCCl	2572947	PFJAOAVAYCYZIP-UHFFFAOYSA-N	222.756	3.229	50	40	BGGB	
CC(/C=C/c1ccc(N(C)C)cc1)=C\C#N	245189608	WWXSLIJOKCYCQD-UHFFFAOYSA-N	212.296	3.236	50	40	BGGB	
FC(F)(F)C(Cl)(Cl)CCCl	2555211	VLBOQTAXLMLIPO-UHFFFAOYSA-N	215.429	3.352	50	40	BGGB	
Cc1cccc2[nH]cc(CCBr)c12	77596411	BPWYONUPBHDEKL-UHFFFAOYSA-N	238.128	3.414	50	40	BGGB	
N#C/C(=C\c1ccco1)C1CCC([N+](=O)[O-])CC1	1735328	XFFJWJHKFWWYAC-DHZHZOJOSA-N	246.266	3.022	50	40	BGGB	
N#CC1=C(F)C(F)(F)[C@@](F)(Cl)C(F)(F)C1	4482215	BSPVRDSXBRDTAV-SSDOTTSWSA-N	249.541	3.312	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccc(OC)c(C)c1	71423510	DJPPZGKLZSHLGP-SNVBAGLBSA-N	226.703	3.204	50	40	BGGB	
Cc1cc(C#CCBr)ccc1Cl	95631678	RFLOBEBTVVQKAY-UHFFFAOYSA-N	243.531	3.395	50	40	BGGB	
CCOc1cccc2nc(CCl)sc12	95950075	KTHFZDSSEYNJDD-UHFFFAOYSA-N	227.716	3.434	50	40	BGGB	
Cc1cc(C)c(C(=O)O)c(C)c1CCl	97438994	HCXGMDXQWGQHGE-UHFFFAOYSA-N	212.676	3.049	50	40	BGGB	in-vitro
CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H](O)C1	217829355	CDSBXCXRCZIGQX-MNOVXSKESA-N	230.424	3.169	50	40	BGGB	
ClCCc1nc(-c2ccc(Cl)cc2)no1	15417218	XICGHSYAEZLRIC-UHFFFAOYSA-N	243.093	3.171	50	40	BGGB	
CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Cl	19430881	FUBXGQWKANUZQJ-LLVKDONJSA-N	239.746	3.051	50	40	BGGB	in-vitro
CCN(Nc1ccccc1)C(=O)OC(C)(C)C	36533213	BTGDCNYEZKMUPR-UHFFFAOYSA-N	236.315	3.271	50	40	BGGB	
N#C/C(=C\c1ccco1)c1ccc(F)cc1	2871223	MUWUPWITGWTNAK-DHZHZOJOSA-N	213.211	3.483	50	40	BGGB	
O=C(NN=C1CCCCCC1)c1cccs1	6222059	FCPLLNWGBSOFQT-UHFFFAOYSA-N	236.340	3.188	50	40	BGGB	
ClCc1nn(-c2ccccc2)c2c1CCC2	39947445	JZQCNZOQBXKTDJ-UHFFFAOYSA-N	232.714	3.100	50	40	BGGB	in-vitro
CN(C)C1=C(C=O)CCC/C1=C\c1ccccc1	36633725	UBGLXNKJYZSRGU-SDNWHVSQSA-N	241.334	3.269	50	40	BGGB	
COc1ccc2cc(C(=O)Cl)ccc2c1	39252146	IKTDAFGJXADTPY-UHFFFAOYSA-N	220.655	3.227	50	40	BGGB	
CCn1c(CCl)nc2cc(C)c(C)cc21	45206646	XCCWGIBQECWVSU-UHFFFAOYSA-N	222.719	3.412	50	40	BGGB	
Cc1occc1C(=O)/C(C#N)=C\c1cccs1	96765789	PAOJBDOANHAOED-YFHOEESVSA-N	243.287	3.439	50	40	BGGB	
Cc1c(Cl)cccc1C(=O)[C@H](C)Cl	238425190	ZIYNYEHCZBZBOP-ZETCQYMHSA-N	217.095	3.458	50	40	BGGB	
Fc1ccc([C@@H]2C[C@@H]2Br)cc1	238594029	CEIRYQFNVHIOAE-IUCAKERBSA-N	215.065	3.077	50	40	BGGB	
Cc1ccc([C@@H](C)CBr)cc1	49780954	VUQJWCGKJLXBSJ-VIFPVBQESA-N	213.118	3.493	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccc(F)c(F)c1	71423614	RABATOYZBJSPQW-SSDOTTSWSA-N	218.630	3.165	50	40	BGGB	
C[C@@H](Cl)/C=C/CC(=O)Nc1ccccc1	223813714	FJZYGYCYOIQMDM-BRAIEQGRSA-N	223.703	3.199	50	40	BGGB	
O=[N+]([O-])c1ccc(CCCl)c(CCl)c1	1714051	LOWBTOGNTTUXRI-UHFFFAOYSA-N	234.082	3.115	50	40	BGGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Cl	5762689	CHLAOFANYRDCPD-INEUFUBQSA-N	227.518	3.343	50	40	BGGB	in-vitro
C=CCNC(=O)CCCC[C@@H]1CCSS1	96113929	JZOIZXQRMBJQHL-SNVBAGLBSA-N	245.413	3.003	50	40	BGGB	biogenic
CCCc1ccc(C(=O)[C@H](C)Cl)cc1	3319046	CNXBHEBHRAOFOB-VIFPVBQESA-N	210.704	3.449	50	40	BGGB	
COc1ccc(/C(C#N)=C\c2ccncc2)cc1	4683014	YBMFTPMYUFKZOG-UVTDQMKNSA-N	236.274	3.154	50	40	BGGB	
ClCCCNC1C2CC3CC(C2)CC1C3	6158063	LAFFJMISYIXCTH-UHFFFAOYSA-N	227.779	3.030	50	40	BGGB	
Cc1ccc(-c2nnc([C@H](C)Cl)o2)cc1	4206882	LRGUTMKVLNDWTK-QMMMGPOBSA-N	222.675	3.345	50	40	BGGB	in-vitro
C=C/C(=C\C=C(C#N)C#N)N(C)c1ccccc1C	5615569	BYHQDVVBCFWMSJ-XNTDXEJSSA-N	249.317	3.475	50	40	BGGB	
NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	97950046	MVRXMHQBQZQJMM-UHFFFAOYSA-N	247.188	3.443	50	40	BGGB	
ClCCOCc1ccccc1Cl	1712822	USYNCHYKXPUTQN-UHFFFAOYSA-N	205.084	3.095	50	40	BGGB	
COc1c(C)cc(Cl)c(C)c1C(=O)Cl	57339743	RERHWSIYRHGFED-UHFFFAOYSA-N	233.094	3.344	50	40	BGGB	
Cc1cccc(C)c1OCCBr	3336033	MSKAVXYLXIUCJP-UHFFFAOYSA-N	229.117	3.077	50	40	BGGB	in-vitro
Cc1ccc(SC(=O)[C@@H](C)Cl)cc1	4208911	YZFIEIFBYLSJEJ-MRVPVSSYSA-N	214.717	3.241	50	40	BGGB	in-vitro
COc1ccc(C(=O)CCCCCl)cc1F	382674488	KLLKSZSINSNZCA-UHFFFAOYSA-N	244.693	3.426	50	40	BGGB	
S=C=Nc1ccc(-c2cnco2)cc1	158793	DPYNECHAXAYCQR-UHFFFAOYSA-N	202.238	3.076	50	40	BGGB	
Cc1ccc(C(C)C)cc1OC(=O)CCl	1586508	BRIMYDWJSCHRRO-UHFFFAOYSA-N	226.703	3.263	50	40	BGGB	
ClCCN(CCCl)C1CCCCC1	1682921	RAFCIQDIWCBIKJ-UHFFFAOYSA-N	224.175	3.099	50	40	BGGB	
CC(C)CC(=O)SCCSCCCl	1668703	MMCSFYOWMJZIQO-UHFFFAOYSA-N	240.821	3.264	50	40	BGGB	
S=C=NCc1ccccc1Br	38997950	PZFIQSXNILACQZ-UHFFFAOYSA-N	228.114	3.052	50	40	BGGB	
CCCCCCCC/C=C\[C@@H]1CC(=O)OC1=O	100013238	UWERUIGPWOVNGG-ZWLSGLHFSA-N	238.327	3.383	50	40	BGGB	
Cc1cccc(N(CCCl)CCCl)c1	1769241	WVZOGRZYBUCDOT-UHFFFAOYSA-N	232.154	3.279	50	40	BGGB	
N#CC(C#N)=CNc1cc(Cl)ccc1Cl	125323	VEXIQLZRIZKNKI-UHFFFAOYSA-N	238.077	3.336	50	40	BGGB	
CCCCOC(=O)C1CCC(Cl)CC1	169795890	XUAIHQJKAUELDA-UHFFFAOYSA-N	218.724	3.127	50	40	BGGB	
O=CC1=C(Cl)c2ccc(Cl)cc2CC1	1857793570	RTVWFELNMOQJMP-UHFFFAOYSA-N	227.090	3.435	50	40	BGGB	
N#CC(C#N)=C(C#N)c1ccc(-c2ccccc2)[nH]1	792450	HJQLLWKDSDSGBV-UHFFFAOYSA-N	244.257	3.006	50	40	BGGB	
CCC[C@H](NC(=O)[C@@H](C)Cl)c1ccccc1	3349670	LCCLCMWOMXHIQV-PWSUYJOCSA-N	239.746	3.271	50	40	BGGB	
N#C/C(=C/c1ccco1)c1ccc(C(=O)O)cc1	6472794	BHOYGLSEUDHBKJ-WQLSENKSSA-N	239.230	3.042	50	40	BGGB	
CCC[C@H](/C(C)=N\NC(N)=O)C1CCCCC1	16930618	UOQGTWPGZLBVHU-DYTQJMLRSA-N	239.363	3.027	50	40	BGGB	
CC(C)(C)[Si](C)(C)OC1CC(C#N)C1	206089677	PSBWLQLGJKZFAH-UHFFFAOYSA-N	211.381	3.310	50	40	BGGB	
Cc1ccc(-c2cn(CCl)cn2)cc1	228904593	UDVYOOMKCLNRLA-UHFFFAOYSA-N	206.676	3.055	50	40	BGGB	
ClCc1nccn1Cc1ccc(Cl)cc1	161408	ZKIVJWSIGUMFFB-UHFFFAOYSA-N	241.121	3.324	50	40	BGGB	
CCCCOc1ccc(F)cc1C(=O)Cl	95739770	UMFOPRQQGTYHHU-UHFFFAOYSA-N	230.666	3.384	50	40	BGGB	
CCOC(=O)NN=C1CCC(C(C)(C)C)CC1	5473156	XBTOOYMPFGHIPW-UHFFFAOYSA-N	240.347	3.325	50	40	BGGB	
Cc1oc(-c2ccccc2C#N)nc1CCl	199554030	OXUYAEYSPFGFBD-UHFFFAOYSA-N	232.670	3.261	50	40	BGGB	
CCc1ccc([C@@H](C)NC(=O)[C@H](C)Cl)cc1	35222664	SZHHAAUOELVQMT-VHSXEESVSA-N	239.746	3.054	50	40	BGGB	in-vitro
CC12C[C@@H]3C[C@@H](C1)CC(N=C=S)(C3)C2	100017980	ZJAYYILGFJOGCD-JYBOHDQNSA-N	207.342	3.448	50	40	BGGB	
CC(=O)N(C)/N=N\c1ccc(C(F)(F)F)cc1	104198959	KYUBXSWIFMKRTH-PFONDFGASA-N	245.204	3.182	50	40	BGGB	
Cc1cc(C(=O)Cl)c2c(C)cccc2n1	685936947	GGRNEIRASXZZPA-UHFFFAOYSA-N	219.671	3.231	50	40	BGGB	
O=C(CCl)c1c[nH]c2ccc(Cl)cc12	532160	QZKPNTKNGLCGPJ-UHFFFAOYSA-N	228.078	3.243	50	40	BGGB	
CC(C)c1ccc(C(=O)OCCCl)cc1	1570886	QUXFBFGLZVJFMQ-UHFFFAOYSA-N	226.703	3.206	50	40	BGGB	
CC(C)=C[C@@H]1[C@H](COC(=O)CCl)C1(C)C	1663799	KNOKNDQYQDPTQN-ZJUUUORDSA-N	230.735	3.007	50	40	BGGB	
N#C/C(=C\O)c1ccc(Cl)c(Cl)c1	100365389	RTXZLLOYUZLNBR-FNORWQNLSA-N	214.051	3.416	50	40	BGGB	
C[C@@H](/C=N/NC(=O)OC(C)(C)C)c1ccccc1	7947443	IFCWQZCZIZUXNI-KBVGCWLLSA-N	248.326	3.301	50	40	BGGB	
Fc1cccc(C23CC(CCl)(C2)C3)c1	1772798212	IEPIHBXITZRHBM-UHFFFAOYSA-N	210.679	3.486	50	40	BGGB	
CCN(C(=O)CCl)c1cccc2ccccc12	3289354	SAFDDWRCNKTNRS-UHFFFAOYSA-N	247.725	3.432	50	40	BGGB	
C=C[Si](C=C)(C=C)O[Si](C=C)(C=C)C=C	195881364	IGJPWUZGPMLVDT-UHFFFAOYSA-N	234.447	3.245	50	40	BGGB	
COc1cccc(-c2oncc2CCl)c1	409424349	YYMFHCJGHOZBIW-UHFFFAOYSA-N	223.659	3.089	50	40	BGGB	
Fc1ccc(N(CCCl)CCCl)cc1	1559932	WHBKJPHTKQXBNJ-UHFFFAOYSA-N	236.117	3.110	50	40	BGGB	
CC(C)(CCCl)NCc1ccccc1	1727825	LWIQRTRCBFEIRP-UHFFFAOYSA-N	211.736	3.184	50	40	BGGB	
O=C/C(=C\c1ccccc1)c1ccccc1	16999040	JYVONCAJVKBEGI-RVDMUPIBSA-N	208.260	3.426	50	40	BGGB	
Cc1ccc(Br)cc1CC(=O)Cl	40447997	CXCKOROWEXQHDY-UHFFFAOYSA-N	247.519	3.065	50	40	BGGB	
CCCCCCCC(=O)N/N=C\c1ccccc1	102920974	SQMNCQHHEHYMRV-SSZFMOIBSA-N	246.354	3.497	50	40	BGGB	
N#Cc1ccccc1-c1ccc(C(=O)Cl)o1	217713312	SFLJPEZOJYPTSC-UHFFFAOYSA-N	231.638	3.197	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(F)c1	3314441	YZPXDEAEMLGWEX-YRNVUSSQSA-N	231.270	3.348	50	40	BGGB	
Cl[C@H]1CC[C@@H]2S[C@@H]1CC[C@H]2Cl	100364418	QUZIEYDEASXPSN-KVFPUHGPSA-N	211.157	3.259	50	40	BGGB	
Cc1ccc(OC(F)(F)F)cc1C(=O)Cl	91252053	DWHYIYNVPCGCJQ-UHFFFAOYSA-N	238.592	3.273	50	40	BGGB	
CC[C@H](Cl)C(=O)c1ccc(C)s1	307230841	DBWIBLNRKDDVJS-ZETCQYMHSA-N	202.706	3.257	50	40	BGGB	
C[C@H](Cl)C(=O)c1ccccc1Cl	39055315	SGAPLXKLYQSWJY-LURJTMIESA-N	203.068	3.150	50	40	BGGB	
CCSc1ccc(C(=O)Cl)cc1	82078191	MNNNBEMBJLPDBR-UHFFFAOYSA-N	200.690	3.178	50	40	BGGB	
C[C@@H]1C(Br)[C@@H](C)[C@H]2CC[C@H]1C2	104146363	AHHXXNZRYQCSGL-JBDRJPRFSA-N	217.150	3.452	50	40	BGGB	
C[C@@H](Cl)C(=O)c1ccc(Cl)cc1F	238426564	ZQSAZPWVBTWECP-RXMQYKEDSA-N	221.058	3.289	50	40	BGGB	
C[C@H](CCl)OC(=O)c1ccccc1Cl	8580565	VNVVUXIKVBPTEH-SSDOTTSWSA-N	233.094	3.124	50	40	BGGB	
CCc1ccccc1C(=O)CCCCl	34406824	UPJRWGSZBIVHOK-UHFFFAOYSA-N	210.704	3.451	50	40	BGGB	
FC(F)(F)[C@H]1CC[C@@H](Br)C1	256052646	ODLVCEJXSQMGSK-CRCLSJGQSA-N	217.028	3.112	50	40	BGGB	
O=C(CCCl)N1CCCC2(CCCCC2)C1	2227937	FDAGHUXKKKXZSQ-UHFFFAOYSA-N	243.778	3.188	50	40	BGGB	
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Cl	19518870	UAHWAKOGFACBOT-SSDOTTSWSA-N	232.110	3.214	50	40	BGGB	
CCOC(=O)/C(C#N)=C1\C[C@H]2C[C@@H]1[C@H](C)C2(C)C	33318800	BSAGGPIZZBRQIX-RKBUGXIGSA-N	247.338	3.072	50	40	BGGB	
Cc1ccc(Cl)cc1C(=O)CCl	39055329	UGXFECVAWSLKFV-UHFFFAOYSA-N	203.068	3.070	50	40	BGGB	
C[C@H](Br)c1ccc(F)c(F)c1	57214485	YDSIQVNBLINEJP-YFKPBYRVSA-N	221.044	3.421	50	40	BGGB	in-vitro
C=C(C#N)[C@H](O)c1ccc(-c2ccccc2)cc1	12899117	MGMVNBRWHCRGNC-INIZCTEOSA-N	235.286	3.467	50	40	BGGB	
BrC1[C@@]23CC=CC[C@@]12CCC3	71785929	KFRLLHBETPZOCF-PBINXNQUSA-N	213.118	3.270	50	40	BGGB	
CCOc1ccc(C#CCCCCl)cc1	95632097	KDXYAUPIVVSVFG-UHFFFAOYSA-N	222.715	3.456	50	40	BGGB	
COC(=O)[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C	195759001	LXNGFUZXDGVDEZ-VHSXEESVSA-N	246.423	3.206	50	40	BGGB	in-vitro
CCCCN(CCCC)NC(=O)c1ccccc1	2056234	PMUQFKLRVIPHLK-UHFFFAOYSA-N	248.370	3.234	50	40	BGGB	
CCCCCC/C(=N\NC(N)=O)c1ccccc1	4675905	JYXFHWQPKQRSFX-DTQAZKPQSA-N	247.342	3.029	50	40	BGGB	
O=C(C#Cc1ccccc1)CCCCCl	308807832	PIVLOIKLDUOTAK-UHFFFAOYSA-N	220.699	3.016	50	40	BGGB	
COc1cccc(CCCBr)c1	1685237	LISAIUHOJQKVHK-UHFFFAOYSA-N	229.117	3.023	50	40	BGGB	in-vitro
CCc1ccc(C(=O)CCCCl)cc1	1635547	PTKKOYFXSPTUGB-UHFFFAOYSA-N	210.704	3.451	50	40	BGGB	
N#CC1=C(F)C(F)(F)[C@](F)(Cl)C(F)(F)C1	4482217	BSPVRDSXBRDTAV-ZETCQYMHSA-N	249.541	3.312	50	40	BGGB	
COc1ccc(/C(C#N)=C/c2ccncc2)cc1	13284099	YBMFTPMYUFKZOG-GXDHUFHOSA-N	236.274	3.154	50	40	BGGB	
C/C(=N\NC(=O)c1ccc(C)cc1)C(C)(C)C	46189	QMZGXROLSBFEGQ-RVDMUPIBSA-N	232.327	3.147	50	40	BGGB	
N#CSc1ccc(O)c2ccccc12	1680354	KVFAHZPKQSOLAA-UHFFFAOYSA-N	201.250	3.119	50	40	BGGB	
Fc1ccc2nc(CCl)sc2c1F	95950083	VHFRXERXLQPEOP-UHFFFAOYSA-N	219.643	3.313	50	40	BGGB	
COc1cc(C(=O)CCCCl)cc(F)c1F	382673620	HBRVIPPDWQXJHH-UHFFFAOYSA-N	248.656	3.175	50	40	BGGB	
COc1cccc(Cl)c1CBr	71973894	UBHMKGCZRSUSPG-UHFFFAOYSA-N	235.508	3.244	50	40	BGGB	
Cc1c(Cl)cc(C(=O)Cl)c(F)c1F	2509669	RNPZVHICWXPYEC-UHFFFAOYSA-N	225.021	3.306	50	40	BGGB	
Cc1cc(C(=O)Cl)cc(C(F)(F)F)c1	2382305	STYLTOJEHPKJDF-UHFFFAOYSA-N	222.593	3.393	50	40	BGGB	
N#CC(C#N)=Cc1ccc(OC2CCCC2)cc1	2799027	OPDKJOBLPBDYFQ-UHFFFAOYSA-N	238.290	3.439	50	40	BGGB	
CCCCCCCCCOC[C@@H](O)CCl	104198852	LJRMNOFHEXXZKN-LBPRGKRZSA-N	236.783	3.353	50	40	BGGB	
N#CC(C#N)=C1CCc2cc(Cl)ccc21	520007	SSMGUVCIXMVJFI-UHFFFAOYSA-N	214.655	3.087	50	40	BGGB	
CCCc1ccc(C(=O)[C@@H](C)Cl)cc1	3319045	CNXBHEBHRAOFOB-SECBINFHSA-N	210.704	3.449	50	40	BGGB	
COc1c(C(=O)Cl)cc(C)c(C)c1Cl	57340055	ULCFFJXVKLKDDM-UHFFFAOYSA-N	233.094	3.344	50	40	BGGB	
COc1c(C)cc(C(=O)[C@H](C)Cl)cc1C	213564960	LUYALMCACZLISR-VIFPVBQESA-N	226.703	3.122	50	40	BGGB	
C[C@@H]1CCC/C(=N/NC(=O)C2CCCCC2)C1	511063	AFDPISFVPQLOOT-XGOYLDHDSA-N	236.359	3.249	50	40	BGGB	
Cc1ccccc1C(=O)NN=C1CCCCCC1	5620217	NHDGMXILHAORPD-UHFFFAOYSA-N	244.338	3.435	50	40	BGGB	
O=C(NN=C1CCCCCC1)c1ccccc1	5681379	JVYOEALOLIWMSL-UHFFFAOYSA-N	230.311	3.127	50	40	BGGB	
C[C@@H](Br)c1ccc(F)c(F)c1	57214486	YDSIQVNBLINEJP-RXMQYKEDSA-N	221.044	3.421	50	40	BGGB	in-vitro
C[C@]12CC[C@@H](C/C1=N\O)[C@@]2(C)CBr	100745853	AWBFTBBHLBKDMO-QGKUNMNUSA-N	246.148	3.038	50	40	BGGB	
C[C@H](Cl)/C=C/CC(=O)Nc1ccccc1	223813699	FJZYGYCYOIQMDM-PORFMDCZSA-N	223.703	3.199	50	40	BGGB	
CC1(C)[C@H]2CC[C@]1(C)[C@@]1(C2)OC[C@H](CCl)O1	4723109	VANNDJWVQQQRBO-UKJIMTQDSA-N	244.762	3.183	50	40	BGGB	
CCOc1cc2c(cc1CCl)O[C@H](C)C2	7989025	DIBDVZQJCMEZBR-MRVPVSSYSA-N	226.703	3.148	50	40	BGGB	in-vitro
N#C/C(=C/c1cc(F)cc(F)c1)c1ccccn1	12495666	USVLQUDAUIUTEV-WZUFQYTHSA-N	242.228	3.424	50	40	BGGB	
CC1=C[C@H](C)[C@@H](COC(=O)CCl)[C@H](C)C1	102674749	XFKKLFJLWBBJEM-HBNTYKKESA-N	230.735	3.007	50	40	BGGB	
O=C(N=C=S)c1ccc(Cl)c(Cl)c1	1694649	SEKAYAYPFHKTFG-UHFFFAOYSA-N	232.091	3.236	50	40	BGGB	
COc1ccc(Cl)cc1C(=O)[C@H](C)Cl	36154329	OXNJNTDLTKSPFZ-LURJTMIESA-N	233.094	3.159	50	40	BGGB	
CC(C)COc1ccc(C(=O)Cl)cc1F	95739822	SCRAZMAJDKASFN-UHFFFAOYSA-N	230.666	3.240	50	40	BGGB	
FC1(F)Oc2ccc(C(Cl)Cl)cc2O1	59299027	YXMCYFRIYWBSCT-UHFFFAOYSA-N	241.020	3.484	50	40	BGGB	
CCCCCCCC/C=N/NC(=O)C1CC1	97965606	JQBJHWRDGKLJIC-SDNWHVSQSA-N	224.348	3.249	50	40	BGGB	
O=C(c1cccc(CCl)c1)N1CCCCC1	34082311	BXLNHFVIUOMFIA-UHFFFAOYSA-N	237.730	3.052	50	40	BGGB	in-vitro
ClCc1nc(Cc2ccc(Cl)cc2)no1	6658079	FJCFAJFHPOIXSU-UHFFFAOYSA-N	243.093	3.053	50	40	BGGB	
O=C(Cl)c1ccc2c3c(cccc13)CC2	40545948	MZNZTFSYLQWZLR-UHFFFAOYSA-N	216.667	3.317	50	40	BGGB	
CC1(C)CCC(Br)=C(C=O)C1	95726799	WDLIXFKCKLKMTD-UHFFFAOYSA-N	217.106	3.044	50	40	BGGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	102408961	BJHAKTSLZYFPCJ-KHRHSHNISA-N	248.370	3.105	50	40	BGGB	
S=C1c2ccccc2CC[C@H]1Br	228969016	KORBLVNSVHOHNU-SECBINFHSA-N	241.153	3.114	50	40	BGGB	
S=C=NCc1cccc(Br)c1	39150379	GQMVUQXETLLUBC-UHFFFAOYSA-N	228.114	3.052	50	40	BGGB	
COc1ccc(C)cc1C(=O)C(C)(C)CCl	394502653	CGKSZOGJZLGYNS-UHFFFAOYSA-N	240.730	3.451	50	40	BGGB	
CC1=C[C@H](C)[C@H](COC(=O)CCl)[C@H](C)C1	4844163	XFKKLFJLWBBJEM-AXFHLTTASA-N	230.735	3.007	50	40	BGGB	
O=C=Nc1ccc(Br)c(Cl)c1	84193119	QOGYRNCYNAPFRW-UHFFFAOYSA-N	232.464	3.070	50	40	BGGB	
O=CC1=C(Cl)c2cc(Cl)ccc2C1	1857793517	FEZWKBDOUZQKTH-UHFFFAOYSA-N	213.063	3.045	50	40	BGGB	
Cc1cc(N=C=S)nc(-c2ccccc2)n1	8731079	JLTDYOLFCRHOAM-UHFFFAOYSA-N	227.292	3.186	50	40	BGGB	
N#C[C@@H](Cl)c1ccccc1Br	45626903	KGFHBZCOOBDMEE-MRVPVSSYSA-N	230.492	3.253	50	40	BGGB	
BrCc1ccc(C2CC2)cc1	54967608	KMPVJTGKGHWUJX-UHFFFAOYSA-N	211.102	3.459	50	40	BGGB	in-vitro
O=C(NC1CCCC1)[C@H](Cl)c1ccccc1	13945897	APRBNQMYJQNMMT-GFCCVEGCSA-N	237.730	3.025	50	40	BGGB	
CCCC(CCC)=NNC(=O)c1ccccc1O	5456072	CQVISHYJOIKUEA-UHFFFAOYSA-N	248.326	3.078	50	40	BGGB	
N#C/C(=C\N(O)c1ccccc1)c1ccccc1	13405776	VEKUZCUJVFEKDZ-WYMLVPIESA-N	236.274	3.447	50	40	BGGB	
CC(C)(F)[C@H](Br)C(F)(F)F	66329362	QPOXETOPFSJYBI-VKHMYHEASA-N	223.007	3.060	50	40	BGGB	
CCOc1c(Cl)cc(C(=O)Cl)cc1OC	33435147	SMTHLZRATGRDMV-UHFFFAOYSA-N	249.093	3.126	50	40	BGGB	
Cc1cc(C(=O)Cl)ccc1OCC(C)C	95739795	PYUQVKCBKFWJEN-UHFFFAOYSA-N	226.703	3.409	50	40	BGGB	
O=C(Cl)CCCCc1cccs1	11631156	NGNPRHMJRNUPLO-UHFFFAOYSA-N	202.706	3.226	50	40	BGGB	
CC[C@H](Cl)C(=O)c1ccc(C)cc1F	307333641	QNBXGAMTJXHLFU-VIFPVBQESA-N	214.667	3.334	50	40	BGGB	
ClC[C@@H]1CS[C@H](c2ccccc2)O1	1766764	CTDIIHZYJVLIFA-NXEZZACHSA-N	214.717	3.056	50	40	BGGB	
COc1ccc([C@H](O)CCl)c2ccccc12	2041975	IBLPGJHJYWZCEG-GFCCVEGCSA-N	236.698	3.121	50	40	BGGB	
CC[C@H](Oc1ccc(C)cc1C)C(=O)Cl	36720618	VFSGLRKUPCJUDI-JTQLQIEISA-N	226.703	3.226	50	40	BGGB	
C[C@@H](Cl)C(=O)c1ccc(Cl)cc1	2584556	YQBPDHQJIIDKEO-ZCFIWIBFSA-N	203.068	3.150	50	40	BGGB	in-vitro
N#CSCc1coc(-c2ccccc2)n1	4699668	RYGKDRCWAXWCCY-UHFFFAOYSA-N	216.265	3.056	50	40	BGGB	
N#CC(C#N)=C1CCS[C@H]2CCCC[C@@H]12	6261923	ATELRZXBXANRBT-RYUDHWBXSA-N	218.325	3.026	50	40	BGGB	
COc1ccc(/C=C(\C#N)c2ccccn2)cc1	4347846	XUWZMZQIRKWPFT-JLHYYAGUSA-N	236.274	3.154	50	40	BGGB	
COc1ccc(C)cc1C(=O)CCCCl	31893352	OYNLJPRHAOYRIZ-UHFFFAOYSA-N	226.703	3.205	50	40	BGGB	
ClCc1ccc(-c2ccccc2)cn1	34335599	YJFTUIPJJBKOQG-UHFFFAOYSA-N	203.672	3.487	50	40	BGGB	
ClC[C@@H]1CCCCN1Cc1ccccc1	34432825	CPGUAMMBRXPVGH-ZDUSSCGKSA-N	223.747	3.280	50	40	BGGB	
BrCC/C=C/CCBr	72399683	QBGNQGGJSCRVJJ-OWOJBTEDSA-N	241.954	3.113	50	40	BGGB	in-vitro
Cc1ccc(C(=O)Cl)c(C)c1Br	96300611	MLBXVUYKBCNOGM-UHFFFAOYSA-N	247.519	3.445	50	40	BGGB	
CC(C)c1ccc([C@H]2OC[C@H](CCl)O2)cc1	1677033	KVSVMFVAEKFMTO-STQMWFEESA-N	240.730	3.463	50	40	BGGB	
Cc1cccc(-c2nnc([C@H](C)Cl)o2)c1	4207074	CRIYFDWVUKKTIA-QMMMGPOBSA-N	222.675	3.345	50	40	BGGB	in-vitro
ClCc1nnc(-c2cccc(Cl)c2)o1	21949787	IHBKPWZCCJKKLS-UHFFFAOYSA-N	229.066	3.129	50	40	BGGB	in-vitro
CC1=C/C(=N\O)C=C/C1=C(\C#N)c1ccccc1	104257807	USQBNZUXODUGMS-DAFUOTRMSA-N	236.274	3.310	50	40	BGGB	
Cl[C@@H](CBr)c1ccccc1	1685702	UVZVRUOXFQXFTC-QMMMGPOBSA-N	219.509	3.361	50	40	BGGB	
CC(=O)OCC[C@]12CC[C@H](C[C@@H]1Cl)C2(C)C	4403786	YWOJGNWRTPVBLC-NTZNESFSSA-N	244.762	3.373	50	40	BGGB	
CN(C)c1ccc(/C=C(\C#N)c2ccccn2)cc1	5560414	JLKPGLWLONIGGN-SDNWHVSQSA-N	249.317	3.212	50	40	BGGB	
C[C@H](Cl)C(=O)Nc1cc(Cl)ccc1F	37389553	MVZRAMRFEGOJQA-YFKPBYRVSA-N	236.073	3.045	50	40	BGGB	in-vitro
BrCc1cccc2ncccc12	44608017	YYOXXAVCCOSTGL-UHFFFAOYSA-N	222.085	3.130	50	40	BGGB	in-vitro
COc1cc(CCl)cc(Cl)c1OC	20377575	WVZJTGBCTAVWHM-UHFFFAOYSA-N	221.083	3.096	50	40	BGGB	
CCOc1cc(CCl)cc(OCC)c1	199547378	VLURRAAOTWENON-UHFFFAOYSA-N	214.692	3.223	50	40	BGGB	
N#C/C(=C\c1ccccc1F)c1ccccn1	5692619	HWVMJPRRMNMMSY-FMIVXFBMSA-N	224.238	3.285	50	40	BGGB	
Cc1cc(C(=O)Cl)c2cccc(C)c2n1	685937389	OGWPXMSYCBNFSJ-UHFFFAOYSA-N	219.671	3.231	50	40	BGGB	
Fc1ccccc1OCCCCBr	4291213	OUGQVYXKBBLCCK-UHFFFAOYSA-N	247.107	3.380	50	40	BGGB	
O=CC1=C(Cl)c2cc(F)ccc2SC1	165672	OAEBKLVLCWGKQC-UHFFFAOYSA-N	228.675	3.080	50	40	BGGB	
Cc1ccc(Cl)cc1C(=O)[C@@H](C)Cl	238425443	SBXLSMGVIHXQEN-SSDOTTSWSA-N	217.095	3.458	50	40	BGGB	
N#C/C=C1\NC2(CCCCC2)Cc2ccccc21	16545894	LQXXLGUTBWAQHZ-NVNXTCNLSA-N	238.334	3.400	50	40	BGGB	
C[N+](CCCl)(CCCl)Cc1ccccc1	1713511	ALRSPPDIRDIQPP-UHFFFAOYSA-N	247.189	3.111	50	40	BGGB	
Cc1ccc(Cl)cc1NC(=O)CCCl	6278527	TYNBNWGHFSBKFW-UHFFFAOYSA-N	232.110	3.216	50	40	BGGB	
CCc1cc(C(=O)Cl)ccc1Cl	95728980	ZVGMNIBWKBIFFC-UHFFFAOYSA-N	203.068	3.281	50	40	BGGB	
Cl[C@H]1CC[C@H]2S[C@H]1CC[C@@H]2Cl	100364413	QUZIEYDEASXPSN-DKXJUACHSA-N	211.157	3.259	50	40	BGGB	
CCc1cccc(C(=O)CCCCl)c1	147562009	OVGVHKWRGFYVKR-UHFFFAOYSA-N	210.704	3.451	50	40	BGGB	
N#CC(C#N)=Cc1ccc(-c2ccc(C#N)cc2)o1	252501545	UHESKNNDJGPYFI-UHFFFAOYSA-N	245.241	3.249	50	40	BGGB	
CCOc1c(Cl)cc(CCl)cc1OC	17043824	SXOUBWXOQZYDSZ-UHFFFAOYSA-N	235.110	3.486	50	40	BGGB	
CC[Si](C#CCBr)(CC)CC	195754803	HZSGANARGPIXQM-UHFFFAOYSA-N	233.225	3.432	50	40	BGGB	
C[C@@]12CC[C@H](C/C1=N/O)[C@]2(C)CBr	105469060	AWBFTBBHLBKDMO-UQKHJZDLSA-N	246.148	3.038	50	40	BGGB	
CCCC(=O)SCCSCCCl	1646450	CYENVVQYDFOQGM-UHFFFAOYSA-N	226.794	3.018	50	40	BGGB	
N#C/C(=C\c1ccco1)c1cccc(F)c1	1062070	RTPCMBMLBIFLCD-DHZHZOJOSA-N	213.211	3.483	50	40	BGGB	
Cc1cccc(NNC(=O)C2CCCCC2)c1	7985158	WZOZMTGTGYNVRF-UHFFFAOYSA-N	232.327	3.018	50	40	BGGB	biogenic
Cc1c(SC#N)cc(C)c2sc(N)nc12	22636744	JFOLIJXRWUGLGN-UHFFFAOYSA-N	235.337	3.069	50	40	BGGB	
BrC1[C@@]23C=CC=C[C@@]12CCC3	71785882	CPVKCUKTNFWZFN-PBINXNQUSA-N	211.102	3.046	50	40	BGGB	
COc1ccc(C(F)(F)F)c(CCl)c1	228980899	KVWWCURTVKHMIJ-UHFFFAOYSA-N	224.609	3.453	50	40	BGGB	
O=C(CCCCl)Nc1ccccc1Cl	1811404	ZFTZDMGCOUAMMR-UHFFFAOYSA-N	232.110	3.298	50	40	BGGB	
Cn1c(CCCl)nc2cc(Cl)ccc21	36909325	GYZVGLPFIWTGHK-UHFFFAOYSA-N	229.110	3.008	50	40	BGGB	
N#C[C@@H](O)c1ccc(F)c(Oc2ccccc2)c1	72399847	FYIOXXUKFQPTJS-CYBMUJFWSA-N	243.237	3.175	50	40	BGGB	in-vitro
Fc1cc(C#CCCCCl)cc(F)c1F	95632769	BHJUGVBSZUAAEL-UHFFFAOYSA-N	232.632	3.474	50	40	BGGB	
Fc1ccc(-c2noc(C(Cl)Cl)n2)cc1	98046057	FZBCBOACITUWEX-UHFFFAOYSA-N	247.056	3.352	50	40	BGGB	
C[C@@H](Cl)C(=O)OC12CC3CC(CC(C3)C1)C2	408729276	ATIQXNKUCMSDGU-SEOMOHDOSA-N	242.746	3.126	50	40	BGGB	
O=C(N/N=C/[C@H]1CC=CCC1)C1CCCCC1	6691811	RNPLJVKWWSKAOI-YGRGUWMTSA-N	234.343	3.025	50	40	BGGB	
CC(C)Cn1c(CCl)nc2ccccc21	20592449	LHKKCWOVMFQBQE-UHFFFAOYSA-N	222.719	3.431	50	40	BGGB	
CC[C@H](Cl)C(=O)c1ccc(OC(F)F)cc1	309320047	OXTIVAJTRUWQKZ-VIFPVBQESA-N	248.656	3.488	50	40	BGGB	
C[C@@H](Br)c1cccc([N+](=O)[O-])c1	36894595	CBTKUSGOSLITSO-ZCFIWIBFSA-N	230.061	3.051	50	40	BGGB	in-vitro
CCCCN(CCCC)C(=O)CCCCl	6042593	UJIBJKONJLJLAU-UHFFFAOYSA-N	233.783	3.434	50	40	BGGB	
C[C@@H](Cl)C(=O)Nc1cc(Cl)ccc1F	37389555	MVZRAMRFEGOJQA-RXMQYKEDSA-N	236.073	3.045	50	40	BGGB	in-vitro
CCCOc1ccc(C(=O)Cl)c(C)c1	83179519	XAPKPWQLWRIWSP-UHFFFAOYSA-N	212.676	3.163	50	40	BGGB	
CC(C)[C@@H](Br)c1nc(C2CC2)no1	95097272	UDVJIRVXYUTNIA-SSDOTTSWSA-N	245.120	3.039	50	40	BGGB	
Cc1ccc(C)c(C#CCBr)c1	95633559	SPYJMMXGSLQZOV-UHFFFAOYSA-N	223.113	3.050	50	40	BGGB	
CCCOc1c(C)cc(C(=O)Cl)cc1C	95739847	UENONBZTWYYBTC-UHFFFAOYSA-N	226.703	3.471	50	40	BGGB	
CCCCCCC/C=C/C[C@H]1CC(=O)OC1=O	100460956	GDXGTHFUAURIFL-BCPZQOPPSA-N	238.327	3.383	50	40	BGGB	
Cc1cc(Br)cc(C)c1C(=O)Cl	98213482	RPQMEEVMEPGZCP-UHFFFAOYSA-N	247.519	3.445	50	40	BGGB	
C[C@@H]1[C@@H]2C[C@H](C[C@@]23OC[C@H](CCl)O3)C1(C)C	100114177	ARRMJBMUKXIDRB-IIEKFROSSA-N	244.762	3.039	50	40	BGGB	
CC(C)c1ccccc1NC(=O)[C@@H](C)Cl	12504897	HXYOWXKMMPIHRX-SECBINFHSA-N	225.719	3.376	50	40	BGGB	in-vitro
Fc1cc(F)cc(-c2nc(CCl)co2)c1	37933917	SZWXXPNCHFFMNS-UHFFFAOYSA-N	229.613	3.359	50	40	BGGB	
CCCCCCCC(=O)N/N=C/c1ccco1	2676377	OFWAXRIXETVYCU-SDNWHVSQSA-N	236.315	3.090	50	40	BGGB	
Cc1ccc(-c2noc(CCl)n2)c(C)c1	89262015	WIILLFYXBNCASC-UHFFFAOYSA-N	222.675	3.092	50	40	BGGB	
O=C(Cl)c1cc(F)cc(OC(F)(F)F)c1	91251998	DKXNRFRUJWZSOZ-UHFFFAOYSA-N	242.555	3.103	50	40	BGGB	
[C-]#[N+]Cc1ccc(Br)cc1F	95698350	DFZQUTUOJMPFEF-UHFFFAOYSA-N	214.037	3.007	50	40	BGGB	
Cl[C@H]1CC[C@H]2S[C@@H]1CC[C@H]2Cl	5045983	QUZIEYDEASXPSN-ULAWRXDQSA-N	211.157	3.259	50	40	BGGB	
Cc1cccc(O[C@H](C)CBr)c1	41250849	HMHGFNIEBKPVGG-SECBINFHSA-N	229.117	3.157	50	40	BGGB	
COc1cc(C)c(Cl)cc1CCl	82532218	DXCGSDDTXQLDOI-UHFFFAOYSA-N	205.084	3.396	50	40	BGGB	
N#CC(C#N)=Cc1ccc(C(F)(F)F)cc1	109092	AJXQNQPMIUKVOH-UHFFFAOYSA-N	222.169	3.136	50	40	BGGB	
CC(C)=C[C@H]1[C@@H](COC(=O)CCl)C1(C)C	1663796	KNOKNDQYQDPTQN-VHSXEESVSA-N	230.735	3.007	50	40	BGGB	
Cc1ccc(NC(=O)CCCCl)c(C)c1	6271636	RONDXLYBYLYQQL-UHFFFAOYSA-N	225.719	3.261	50	40	BGGB	
CCC/C(C)=N/NC(=O)c1cccc(Cl)c1	5950891	RCXARZMJTSMZER-NTEUORMPSA-N	238.718	3.246	50	40	BGGB	
CN(C)[P@@](=O)(CCl)Nc1ccccc1	4950652	SHCNCBNWMCBWAI-CQSZACIVSA-N	232.651	3.050	50	40	BGGB	
O=C(CCCCCl)c1cccnc1Cl	2392741	AKDNHMWBTVCIHY-UHFFFAOYSA-N	232.110	3.327	50	40	BGGB	
BrCc1ccc2ncsc2c1	2548436	DQTJVIFWIQJUQI-UHFFFAOYSA-N	228.114	3.191	50	40	BGGB	
C=CCSS/C=C/C[S@](=O)CC=C	5193911	IXELFRRANAOWSF-IYNGYCSASA-N	234.411	3.002	50	40	BGGB	biogenic,in-vitro
Cc1cc(NC(=O)CCl)ccc1C(C)C	4105374	FGMCODQAQSMRLC-UHFFFAOYSA-N	225.719	3.296	50	40	BGGB	
C=CCC[C@@H](Br)CBr	68569610	WFGDPUOTONXJOS-ZCFIWIBFSA-N	241.954	3.111	50	40	BGGB	
ClCc1nc2cccc3cccc([nH]1)c32	3361064	QDKSLOCROCTNPH-UHFFFAOYSA-N	216.671	3.455	50	40	BGGB	
CCc1ccccc1OCCBr	19093756	JQVODOXKKSBTOL-UHFFFAOYSA-N	229.117	3.023	50	40	BGGB	
N#C/C(=C/c1cccnc1)c1nc2ccccc2o1	96401989	QAYJPLYGOMSMJT-WQLSENKSSA-N	247.257	3.287	50	40	BGGB	
FC(F)(F)OC1CCC(Br)CC1	952958850	BMLHOMNDDUEHGT-UHFFFAOYSA-N	247.054	3.229	50	40	BGGB	
Cc1ccccc1NC(=O)[C@@](C)(Cl)CCl	4852092	MHXGZDSJXYIEOG-NSHDSACASA-N	246.137	3.170	50	40	BGGB	
Cc1ccc2oc(C(=O)Cl)c(C)c2c1	6659941	RUWQVSWMIOZFIL-UHFFFAOYSA-N	208.644	3.429	50	40	BGGB	
O=C(Cl)C1(c2ccc(Cl)cc2)CC1	11884042	SJONAMDHFQGIQE-UHFFFAOYSA-N	215.079	3.137	50	40	BGGB	in-vitro
FC(F)(F)COc1ccc(CCl)cc1	21019703	MQBQVVMPYACAOW-UHFFFAOYSA-N	224.609	3.367	50	40	BGGB	in-vitro
Cc1ccc2cc(CBr)cnc2c1	72226749	GRCHMFILZBFEQK-UHFFFAOYSA-N	236.112	3.438	50	40	BGGB	
CC1=C[C@H](C)[C@@H](COC(=O)CCl)[C@@H](C)C1	102674746	XFKKLFJLWBBJEM-GARJFASQSA-N	230.735	3.007	50	40	BGGB	
ClCc1nc(Cl)sc1Cl	117327150	PRULVQBZCDYZCN-UHFFFAOYSA-N	202.493	3.189	50	40	BGGB	
Fc1cccc([C@H]2C[C@H]2Br)c1	238539542	VOOZPOZLXOGGPR-RKDXNWHRSA-N	215.065	3.077	50	40	BGGB	
CC(C)(C)[Si](C)(C)O[C@H]1CCC=CC1=O	1565683399	GJKGJQINHYTRSM-NSHDSACASA-N	226.392	3.296	50	40	BGGB	
N#C[C@H](Cl)Cc1ccccc1Cl	567994	HWABEMGNVXIVOE-MRVPVSSYSA-N	200.068	3.013	50	40	BGGB	
FC(F)(F)/C(Cl)=C\CBr	71790033	DXCNMVPRQXEUKO-HNQUOIGGSA-N	223.419	3.066	50	40	BGGB	
O=C[C@H]1CCCc2ccccc2[C@H]1Cl	1857793514	DLHJVHUKXNPMCO-PWSUYJOCSA-N	208.688	3.118	50	40	BGGB	
CO/C(=C\C#N)c1c(C)cc(C)cc1C	1609926	SQHOOJDMEKTFSW-XGICHPGQSA-N	201.269	3.123	50	40	BGGB	
C[C@H](Br)CCCOCC(F)(F)F	43662930	IICVMAFRPNNEPO-LURJTMIESA-N	249.070	3.129	50	40	BGGB	
Fc1cc(C#CCBr)ccc1Cl	95633370	BWGCDBLPPDACMW-UHFFFAOYSA-N	247.494	3.226	50	40	BGGB	
O=C1C[C@@](Cl)(CS(F)(F)(F)(F)F)O1	104221522	AYTPHQVVNFXTCM-BYPYZUCNSA-N	246.584	3.167	50	40	BGGB	
ClCn1cnc(-c2ccc(Cl)cc2)c1	199738504	XCMIYIJUQBCCIA-UHFFFAOYSA-N	227.094	3.400	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccc(C)cc1F	307333638	QNBXGAMTJXHLFU-SECBINFHSA-N	214.667	3.334	50	40	BGGB	
CC[C@H](Cl)C(=O)c1ccccc1OC(F)F	309179542	AQEQTUHFFLLICO-QMMMGPOBSA-N	248.656	3.488	50	40	BGGB	
COc1ccccc1[C@@]1(O)CCCC[C@@H]1Cl	1615128	KJCNELHODXELHT-STQMWFEESA-N	240.730	3.064	50	40	BGGB	
Cc1ccc(Cl)c(C(=O)[C@H](C)Cl)c1	36180106	IVTYVTULAMUAGH-ZETCQYMHSA-N	217.095	3.458	50	40	BGGB	
ClCc1c[nH]c2ncc(Br)cc12	40539543	DHQAXNUZTVTRNA-UHFFFAOYSA-N	245.507	3.064	50	40	BGGB	
O=NN(C(=O)Nc1ccccc1)c1ccccc1	6096813	OCRGVJSSFMUOIH-UHFFFAOYSA-N	241.250	3.407	50	40	BGGB	
Fc1ccc(/C=C/CBr)c(F)c1	2528442	FRLMGNPURKJXFV-OWOJBTEDSA-N	233.055	3.373	50	40	BGGB	
CCC[C@H](Br)C(=O)c1ccccc1	21994132	XOQFMNXQYSTQPE-JTQLQIEISA-N	241.128	3.433	50	40	BGGB	in-vitro
COc1cc(C(=O)Cl)cc(C(F)(F)F)c1	38529809	IHMFMHOCMZSKNI-UHFFFAOYSA-N	238.592	3.093	50	40	BGGB	
CCC[C@@H](Br)CCBr	78976086	BMTSGRVTBHQZOB-ZCFIWIBFSA-N	243.970	3.335	50	40	BGGB	
Cc1c(CCl)cc(C(=O)O)cc1CCl	3313212	JTSSWUSQLDYRTB-UHFFFAOYSA-N	233.094	3.171	50	40	BGGB	
CC(/C=C/c1ccc(N(C)C)cc1)=C\C#N	253387380	WWXSLIJOKCYCQD-JOKBTEAVSA-N	212.296	3.236	50	40	BGGB	
O=C(CCC(Cl)Cl)Nc1ccccc1	59568278	XHIQNHWKFGZYPQ-UHFFFAOYSA-N	232.110	3.209	50	40	BGGB	
CC1CC(c2cc(Cl)nc(CCl)n2)C1	95093982	SCQGKTFVPIQQIP-UHFFFAOYSA-N	231.126	3.382	50	40	BGGB	
CCCCCCC/C=C/C[C@@H]1CC(=O)OC1=O	100460959	GDXGTHFUAURIFL-IDVQTMNDSA-N	238.327	3.383	50	40	BGGB	
O=C1CC[C@H](c2ccccc2)C[C@@H]1Cl	55345763	ZMCRXOQTWSQMDG-QWRGUYRKSA-N	208.688	3.131	50	40	BGGB	
CC(C)(C)Oc1ccc(C(=O)CCl)cc1	71533000	ZEFDPUFIHBFGHU-UHFFFAOYSA-N	226.703	3.285	50	40	BGGB	
C[C@@]1(C(=O)OCCCCCl)C[C@H]2C=C[C@H]1C2	102466906	WLUFKYAMKRIWAK-GMXVVIOVSA-N	242.746	3.151	50	40	BGGB	
O=C(CCl)c1cc(-c2ccccc2)ccc1O	5604494	ZAEMYTMNVCGAIV-UHFFFAOYSA-N	246.693	3.481	50	40	BGGB	
CCc1ccc(C(=O)[C@H](Cl)CC)cc1	71423487	OLBDSCOPOSSOSE-LLVKDONJSA-N	210.704	3.449	50	40	BGGB	
CC(C)COc1cc(F)cc(C(=O)Cl)c1	95739807	IVEQROOISVZFRN-UHFFFAOYSA-N	230.666	3.240	50	40	BGGB	
Cc1cc(Cl)c(CCl)c(Cl)n1	8983659	OHLZJPIKLHYHQB-UHFFFAOYSA-N	210.491	3.436	50	40	BGGB	in-vitro
ClCc1noc(-c2cccc(Cl)c2)n1	26513443	TUDMJGXXGOORCD-UHFFFAOYSA-N	229.066	3.129	50	40	BGGB	in-vitro
BrCc1ccc(-n2cccc2)cc1	159035	ADVNJHFDDUGRHL-UHFFFAOYSA-N	236.112	3.372	50	40	BGGB	
Cc1cccc(N2C=CC(=C(C#N)C#N)C=C2)c1C	3179739	HWLBNRGJXUSKSU-UHFFFAOYSA-N	247.301	3.495	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1sccc1C	306585786	HYHDTELDOQWDBA-SSDOTTSWSA-N	202.706	3.257	50	40	BGGB	
CCC[C@@H](Br)[C@H](C)Br	103634600	CHNCACSQVNDLSU-NTSWFWBYSA-N	243.970	3.333	50	40	BGGB	
COc1cc(C(=O)C(C)(C)CCl)ccc1F	382706011	SYMBSBVYWMAIPZ-UHFFFAOYSA-N	244.693	3.282	50	40	BGGB	
N#C/C(=C/c1cccs1)C(=O)c1ccco1	17125417	DWSHBBQSDJXNDC-CLFYSBASSA-N	229.260	3.131	50	40	BGGB	
O=C(O)CCCCC[C@H]1CCSS1	22060226	VBTNABAOJVZGII-QMMMGPOBSA-N	220.359	3.175	50	40	BGGB	in-vitro
Cc1cc(C(=O)N/N=C2\CCC[C@H](C)C2)c(C)o1	34780971	GHJNSPOQEIYSJR-ODBMRUODSA-N	248.326	3.192	50	40	BGGB	
Fc1ccc(-c2nc(CCl)co2)c(F)c1	37933885	AVERLYGTWOKQQB-UHFFFAOYSA-N	229.613	3.359	50	40	BGGB	
O=C(Cl)c1cc2cc(F)ccc2s1	40566691	ZKGYNEVYYSCZJA-UHFFFAOYSA-N	214.648	3.419	50	40	BGGB	
N#Cc1cccc(C(=O)CCCCCl)c1	43212797	KCHVCEPXZXVKGG-UHFFFAOYSA-N	221.687	3.150	50	40	BGGB	
Cc1ccccc1/C=C(\C#N)c1ccccn1	5128544	LDYJHEZIFLEIBW-GXDHUFHOSA-N	220.275	3.454	50	40	BGGB	
COc1cc(C(=O)Cl)ccc1C(C)(C)C	88388129	PVHOIKNETCLFAJ-UHFFFAOYSA-N	226.703	3.372	50	40	BGGB	
Cc1oc(-c2cccc(C#N)c2)nc1CCl	164167259	XXOVELWTODIHBK-UHFFFAOYSA-N	232.670	3.261	50	40	BGGB	
ClC[C@H]1CS[C@H](c2ccccc2)O1	1766761	CTDIIHZYJVLIFA-VHSXEESVSA-N	214.717	3.056	50	40	BGGB	
COc1ccc(OC(F)(F)F)cc1CCl	2529917	RXDWTVYFXOMEGU-UHFFFAOYSA-N	240.608	3.333	50	40	BGGB	
CC(C)=CCC/C(C)=C\COC(=O)CCl	17314407	RDCBQKNHTPJDJX-XFFZJAGNSA-N	230.735	3.461	50	40	BGGB	
O=C(CCl)c1cc(Cl)sc1Cl	47334	JZKWVEHRDTWYBT-UHFFFAOYSA-N	229.515	3.476	50	40	BGGB	in-vitro
COC(CCCCl)(OC)c1ccc(F)cc1	22054484	STABNEURAMXABB-UHFFFAOYSA-N	246.709	3.290	50	40	BGGB	in-vitro
CC(C)OC(=O)/C(C#N)=C\C=C\c1ccccc1	43080235	IVFQHMMONQOQGD-NHZNEZGNSA-N	241.290	3.101	50	40	BGGB	
CC(=C(C#N)C#N)c1cc2ccccc2o1	226762235	ROUWHZAMVUXDOI-UHFFFAOYSA-N	208.220	3.253	50	40	BGGB	
N#C/C(=C\c1cccc(N)c1)c1ccccc1	1750925	ZCMDYXPGLAXASB-NTEUORMPSA-N	220.275	3.333	50	40	BGGB	
FC(F)(Br)C(F)(F)CCCl	2526352	JICUEVPCQDXKAB-UHFFFAOYSA-N	243.425	3.238	50	40	BGGB	in-vitro
O=C(Cl)CCCCC(=O)c1ccccc1	39269281	PKUNCVJBJZMYLD-UHFFFAOYSA-N	224.687	3.195	50	40	BGGB	
BrCCCc1ccsc1	60712619	HJQLPZIKXZBQCK-UHFFFAOYSA-N	205.120	3.076	50	40	BGGB	in-vitro
BrC1[C@H]2C=C[C@H]1c1ccccc12	100879218	QNJJTSARRCDDDL-UWVGGRQHSA-N	221.097	3.201	50	40	BGGB	
N#C/C(=C/c1ccc(O)cc1)c1ccc(C#N)cc1	16399391	TVBOHWSLFLGMTP-DHDCSXOGSA-N	246.269	3.328	50	40	BGGB	
BrC1C2=CC=CC=C1C=CC=C2	68568431	IRLVZZYSZLBTCK-UHFFFAOYSA-N	221.097	3.299	50	40	BGGB	
O=C(Cl)c1cccc2c1C(=O)c1ccccc1-2	38888357	ZNXLQKIGKKVHNF-UHFFFAOYSA-N	242.661	3.277	50	40	BGGB	
Cc1cc2c(cc1C)[C@H](Cl)N[C@H](Cl)N2	100183640	LEBBEVDINUHSNX-NXEZZACHSA-N	231.126	3.078	50	40	BGGB	
CCCCCCCCCOC[C@H](O)CCl	1565822	LJRMNOFHEXXZKN-GFCCVEGCSA-N	236.783	3.353	50	40	BGGB	
CCOC(=O)C(C#N)=C([C@@H](C)CC)[C@@H](C)CC	1716525	BUTDYGWAOQXGCV-QWRGUYRKSA-N	237.343	3.462	50	40	BGGB	
O=C[C@@H](Cl)Cc1ccc(C(F)(F)F)cc1	36205290	SMEWGPBLKUOLEA-VIFPVBQESA-N	236.620	3.054	50	40	BGGB	
N#CSCc1cccc(Br)c1	39937513	KHSISEQWLYWJPM-UHFFFAOYSA-N	228.114	3.163	50	40	BGGB	
CC(C)(C)OC(=O)Nc1cncc(CCl)c1	95761549	SGOBVBFJIZKLIW-UHFFFAOYSA-N	242.706	3.167	50	40	BGGB	
CC(C)CC(=O)Oc1ccc(CCl)cc1	199561165	VJJMQNGVPFGDKF-UHFFFAOYSA-N	226.703	3.377	50	40	BGGB	
c1csc(SSc2nccs2)n1	1613377	MZIWZDMEFARRSI-UHFFFAOYSA-N	232.380	3.399	50	40	BGGB	in-vitro
Cc1cc(C(=O)CCl)ccc1Cl	2510143	XEUXCKGGBTVKCX-UHFFFAOYSA-N	203.068	3.070	50	40	BGGB	
O=C(Cl)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	3108057	NNUGQUHLJJZJDC-DUXPYHPUSA-N	246.049	3.027	50	40	BGGB	
CCN(Cc1ccccc1)C(=O)CCCCl	20204179	IBIDZIHAUSFCRY-UHFFFAOYSA-N	239.746	3.054	50	40	BGGB	
COc1cc(Cl)ccc1CBr	54711055	WQIRCKXHQCBEKU-UHFFFAOYSA-N	235.508	3.244	50	40	BGGB	
Cc1cc(C)c(C(=O)CCl)c(C)c1C	3410626	YGGRAYOSPKBKGM-UHFFFAOYSA-N	210.704	3.342	50	40	BGGB	in-vitro
ClCc1nnc(-c2ccccc2Cl)o1	4218513	VOQHBNXZBQTWKZ-UHFFFAOYSA-N	229.066	3.129	50	40	BGGB	in-vitro
Fc1ccc([C@H]2C[C@H]2Br)cc1	238600993	CEIRYQFNVHIOAE-RKDXNWHRSA-N	215.065	3.077	50	40	BGGB	
Fc1ccc2[nH]cc(CCBr)c2c1	38364283	RTWYIDGAQHNTSB-UHFFFAOYSA-N	242.091	3.244	50	40	BGGB	
C[C@@H]1C[C@H](Cl)CC[C@@H]1C(=O)OC(C)(C)C	8584731	APMORJJNVZMVQK-BBBLOLIVSA-N	232.751	3.372	50	40	BGGB	biogenic,in-vitro
Fc1ccc(CCCBr)cc1F	70791509	QWAZJPOWBLSOFC-UHFFFAOYSA-N	235.071	3.292	50	40	BGGB	
CCC1=CC(=C(C#N)C#N)c2ccccc2O1	1554502591	RASDRRSIGRDMGT-UHFFFAOYSA-N	222.247	3.174	50	40	BGGB	
Fc1cccc(Br)c1CN=C=S	1776010912	YTRXTBVBILYCAJ-UHFFFAOYSA-N	246.104	3.191	50	40	BGGB	
COc1cccc(/C=C(\C#N)c2ccccn2)c1	5068180	JQFOCSCRLFFXNU-UKTHLTGXSA-N	236.274	3.154	50	40	BGGB	
CC(C)COc1c(F)cc(F)cc1C(=O)Cl	95739787	CNSNCKHEDBTVTO-UHFFFAOYSA-N	248.656	3.379	50	40	BGGB	
C[C@H](Cl)c1nc(Cl)cc(CCl)n1	103673288	ZDKSDRCUYHYPJL-BYPYZUCNSA-N	225.506	3.169	50	40	BGGB	
C=C[C@@](C)(CCC=C(C)C)OC(=O)CCl	2041929	KOWCUAVOQZQRRN-LBPRGKRZSA-N	230.735	3.460	50	40	BGGB	
CC(C)c1ccc([C@@H](C)NC(=O)CCl)cc1	3394899	OEHBKRFGXPACOL-SNVBAGLBSA-N	239.746	3.226	50	40	BGGB	
CCCC[C@@H](CCl)OCCOCCCl	5421004	QQNBUWRDBLUESM-JTQLQIEISA-N	243.174	3.056	50	40	BGGB	
FC(F)(F)c1ccc2nc(CCl)cn2c1	32911387	WBZFGJBEZDPBRU-UHFFFAOYSA-N	234.608	3.092	50	40	BGGB	
Cc1cc(C(=O)Cl)c(F)cc1Cl	39057323	LNWXZJRSGZTDNZ-UHFFFAOYSA-N	207.031	3.167	50	40	BGGB	
Cc1ccc(CC[Si]C(Cl)Cl)cc1	198364458	HYFVOKNRMZCJAM-UHFFFAOYSA-N	231.198	3.421	50	40	BGGB	
CCN(CC)c1ccc(CBr)cc1	199561043	IKRGEEZVEOWIJW-UHFFFAOYSA-N	242.160	3.428	50	40	BGGB	
CCCCCC(=O)OCCSCCCl	1665022	VOYMWESMUKEAQK-UHFFFAOYSA-N	238.780	3.082	50	40	BGGB	
O=C(Cc1ccccc1)NN=C1CCCCCC1	5602790	IAOQDOZPZGNPEO-UHFFFAOYSA-N	244.338	3.056	50	40	BGGB	
Cc1cc(C)cc(NC(=O)CCCCl)c1	6255507	JZKUVHQUWDXUTI-UHFFFAOYSA-N	225.719	3.261	50	40	BGGB	
CC[C@H](Cl)C(=O)c1cccc(F)c1F	306315507	GEMONWCCXHQPHZ-ZETCQYMHSA-N	218.630	3.165	50	40	BGGB	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Cl	3289741	COXOTSLMVCSSMG-SSDOTTSWSA-N	221.687	3.286	50	40	BGGB	in-vitro
ClCc1cncn1Cc1ccccc1Cl	59980075	BNTKKVPVZONWPS-UHFFFAOYSA-N	241.121	3.324	50	40	BGGB	
CCOc1ccc(Cl)cc1C=C(C#N)C#N	408820495	YCVNKTZDWSWICM-UHFFFAOYSA-N	232.670	3.169	50	40	BGGB	
ClCNCc1ccc2[nH]c3c(c2c1)CCCC3	19907596	MSHOQCHPYNVBSO-UHFFFAOYSA-N	248.757	3.333	50	40	BGGB	
ClCCc1ccc(Br)cc1	57385885	ZVPRASGPISZNTC-UHFFFAOYSA-N	219.509	3.230	50	40	BGGB	
Cc1ccc2c(c1)Pc1cc(C)ccc1S2	1870347	SVISFQRTOUVHAH-UHFFFAOYSA-N	244.299	3.397	50	40	BGGB	
N#CC1=C(N)c2ccccc2[C@H]1c1ccccc1	4878093	HRLQNRIQFQNYKE-OAHLLOKOSA-N	232.286	3.025	50	40	BGGB	
CC12C[C@@H]3C[C@H](C1)CC(N=C=S)(C3)C2	162349	ZJAYYILGFJOGCD-ZYANWLCNSA-N	207.342	3.448	50	40	BGGB	
CC(C)c1cccc(CBr)n1	88613676	DNFLPQFSDKFUCX-UHFFFAOYSA-N	214.106	3.100	50	40	BGGB	
C=C[Si](C)(O/N=C(\C)CC)O/N=C(\C)CC	195768906	YMTJPBFJJAVFRK-DCIPZJNNSA-N	242.395	3.389	50	40	BGGB	
CCCC[Si](CCCC)(OC)OC	195924511	YPENMAABQGWRBR-UHFFFAOYSA-N	204.386	3.322	50	40	BGGB	
Cc1ccc(C(=O)CCCCl)cc1F	228824670	BSXUESARZXDTAW-UHFFFAOYSA-N	214.667	3.336	50	40	BGGB	
CC[C@H](Cl)C(=O)c1ccc(C)c(F)c1	307112035	PCIWLKZFHLEMBA-VIFPVBQESA-N	214.667	3.334	50	40	BGGB	
C[C@H](Cl)C(=O)c1cc(F)cc(Cl)c1	238422437	USNAHJPETWUKCX-YFKPBYRVSA-N	221.058	3.289	50	40	BGGB	
ClC[C@H]1CSC2(CCCCC2)O1	1766757	SQGGASXMSPJPJH-QMMMGPOBSA-N	206.738	3.018	50	40	BGGB	
N#C/C(=C/c1ccco1)C1CCC([N+](=O)[O-])CC1	1735329	XFFJWJHKFWWYAC-FLIBITNWSA-N	246.266	3.022	50	40	BGGB	
COc1cccc(CCl)c1C(F)(F)F	118253690	MZTJHWKWCSIFMX-UHFFFAOYSA-N	224.609	3.453	50	40	BGGB	
BrC1[C@H]2CCC=CCC[C@@H]12	1611689	LXKYTJPGCHYCAW-JVHMLUBASA-N	201.107	3.126	50	40	BGGB	
CC1=C/C(=C\C=C(C#N)C#N)N(C)c2ccccc21	13511229	VIAUQUMBQHPXAE-RIYZIHGNSA-N	247.301	3.397	50	40	BGGB	
Cc1ccc(C(=O)[C@H](C)Br)c(C)c1	34729217	VSXMVCFZLLFUSJ-VIFPVBQESA-N	241.128	3.270	50	40	BGGB	
CN1/C(=C\C=C(C#N)C#N)C=Cc2ccccc21	100259501	LMVFSINWESBPPO-ZSOIEALJSA-N	233.274	3.007	50	40	BGGB	
O=C(Cl)c1c[nH]c2cc(Cl)ccc12	199564370	WDQZPQDXHBYEIU-UHFFFAOYSA-N	214.051	3.200	50	40	BGGB	
Cc1cc(/C=C(\C#N)C(=O)OC(C)C)c(C)s1	137422	RRTYVGQZYIVZEX-WUXMJOGZSA-N	249.335	3.224	50	40	BGGB	
BrC1[C@H]2CCC=CCC[C@H]12	1611691	LXKYTJPGCHYCAW-YUMQZZPRSA-N	201.107	3.126	50	40	BGGB	
O=C(NC1CCCC1)[C@@H](Cl)c1ccccc1	13945898	APRBNQMYJQNMMT-LBPRGKRZSA-N	237.730	3.025	50	40	BGGB	
CCCC/C(C=O)=C/NC(=O)Nc1ccccc1	17108320	YMRXGGKCJWMMBA-BENRWUELSA-N	246.310	3.081	50	40	BGGB	
Cl[C@H]1[C@@H]2CCCC[C@@H](S2)[C@H]1Cl	101044284	SDXOVOPMKQQVDQ-KVFPUHGPSA-N	211.157	3.259	50	40	BGGB	
COc1c(F)cccc1C(=O)C(C)(C)CCl	394688551	KPPZZIQQLNMYRM-UHFFFAOYSA-N	244.693	3.282	50	40	BGGB	
Fc1c(F)c(F)c(CCCl)c(F)c1F	199539903	OUTJDNVITWIMKX-UHFFFAOYSA-N	230.563	3.163	50	40	BGGB	
CC(C)(C)[C@H]1CCc2[nH]nc(CCl)c2C1	397004260	QLIRESZDJOQHLL-QMMMGPOBSA-N	226.751	3.300	50	40	BGGB	
Cc1ccc(/C=N/NC(=O)CC(C)C)c(C)c1C	20247441	AYUBCJDNVFUGPW-CXUHLZMHSA-N	246.354	3.108	50	40	BGGB	
CCCn1c(CCCl)nc2ccccc21	36909970	HPCAZZIEMCLJDM-UHFFFAOYSA-N	222.719	3.228	50	40	BGGB	
CC1(C)C[C@@H](Br)CC[C@]1(C)C(=O)O	345392	FAHLSXYAXJYAQK-OIBJUYFYSA-N	249.148	3.051	50	40	BGGB	
C[C@@H](NC(=O)CCl)c1ccc2ccccc2c1	3394857	MAHFOVBBNTZWJX-SNVBAGLBSA-N	247.725	3.256	50	40	BGGB	
N#C/C(=C\c1ccc(F)c(F)c1)c1ccccn1	7586909	OHDSAIUXCAWNGD-YRNVUSSQSA-N	242.228	3.424	50	40	BGGB	
Cc1cccc(-c2ccnn2CCCl)c1	96527655	SHKBBCZWWLDCAE-UHFFFAOYSA-N	220.703	3.097	50	40	BGGB	
C[C@@]12CC[C@H](C/C1=N\O)[C@@]2(C)CBr	100745850	AWBFTBBHLBKDMO-JWTFOQSWSA-N	246.148	3.038	50	40	BGGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	107904400	BJHAKTSLZYFPCJ-YEFIBJERSA-N	248.370	3.105	50	40	BGGB	
Cc1ccc2c(c1)C(Cl)=C(C=O)CC2	1857790422	NAUBODSYXQLTSW-UHFFFAOYSA-N	206.672	3.090	50	40	BGGB	
CCCOc1ccccc1/C=C/C(=O)Cl	33433698	FTSIXDRTHZRREE-BQYQJAHWSA-N	224.687	3.254	50	40	BGGB	
C=CCNC(=O)CCCC[C@H]1CCSS1	96113930	JZOIZXQRMBJQHL-JTQLQIEISA-N	245.413	3.003	50	40	BGGB	biogenic
CC1(C)CCC[C@]2(C)[C@H](C=O)C(C=O)=CC[C@@H]12	1969	AZJUJOFIHHNCSV-VNHYZAJKSA-N	234.339	3.163	50	40	BGGB	biogenic,in-vitro
Fc1cccc([C@@H]2C[C@@H]2Br)c1	238537739	VOOZPOZLXOGGPR-IUCAKERBSA-N	215.065	3.077	50	40	BGGB	
CC[C@@H](C)Oc1cccc(C(=O)Cl)c1	8729580	JZFZWJXQTXLDHB-MRVPVSSYSA-N	212.676	3.243	50	40	BGGB	
O=CC1=C(Cl)c2cccc3cccc1c23	34619898	RCKKRABLZMRMAY-UHFFFAOYSA-N	214.651	3.459	50	40	BGGB	
CN[C@H](C)CC12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2Cl	256311570	MZZYFGRZIFMSKE-ZQGXQPOJSA-N	241.806	3.418	50	40	BGGB	
Cc1cc(C=C(C#N)C#N)ccc1N1CCCC1	886152	LOBDGPYBWLSBRC-UHFFFAOYSA-N	237.306	3.026	50	40	BGGB	
C[C@@H](Cl)C(=O)c1ccc(Cl)s1	26513824	RAMGXZHZPXADNH-SCSAIBSYSA-N	209.097	3.212	50	40	BGGB	
[N-]=[N+]=Nc1cc(CCl)cnc1Cl	39169127	UJHOJCITPRMGKY-UHFFFAOYSA-N	203.032	3.416	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cc(C)ccc1OC	71423508	ZDFYPTOTBSIVMU-SNVBAGLBSA-N	226.703	3.204	50	40	BGGB	
CC(C)Cc1ccc(C=C(C#N)C#N)cc1	86961133	QKGDFRFAPCRSRV-UHFFFAOYSA-N	210.280	3.316	50	40	BGGB	
O=C(CCl)c1cc(Cl)cc(Cl)c1	87224217	AWVYVDZUZAHYEJ-UHFFFAOYSA-N	223.486	3.415	50	40	BGGB	
Fc1ccc(F)c2sc(CCl)nc12	95950088	UUECXFFIESBNJA-UHFFFAOYSA-N	219.643	3.313	50	40	BGGB	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCCSC#N)C2	100732239	HHYIHEISKNFHJZ-GVXVVHGQSA-N	239.384	3.432	50	40	BGGB	
N#CSC(Cl)(Cl)C(Cl)Cl	1574085	NEHNHAKFQQKICI-UHFFFAOYSA-N	224.927	3.136	50	40	BGGB	
C/C(C=C(C#N)C#N)=C\c1cccc(F)c1	5808014	XOBUFLHTLUHPSK-BJMVGYQFSA-N	212.227	3.203	50	40	BGGB	
O=C(Cl)c1ccc(C(F)(F)F)c(F)c1F	2382142	BBBHTXRLOYTGAR-UHFFFAOYSA-N	244.546	3.363	50	40	BGGB	
CC(C)OP(=O)(CCCl)OC(C)C	2524686	UCSODMVCOIWLQR-UHFFFAOYSA-N	228.656	3.268	50	40	BGGB	
Fc1cccc(-c2nc(CCl)co2)c1	12899524	AGMLELBIDWXNKF-UHFFFAOYSA-N	211.623	3.220	50	40	BGGB	in-vitro
CCCCOC[C@H](Br)C(F)(F)F	82863694	VFUBGZJZSIYFOG-LURJTMIESA-N	249.070	3.129	50	40	BGGB	
O=C(CCl)[C@@H]1CCC[C@@H](C(F)(F)F)C1	96373623	UXNXQTHZFRDYAW-RNFRBKRXSA-N	228.641	3.163	50	40	BGGB	
COc1cc(Cl)c(Cl)cc1C(=O)Cl	45957415	IKBHSUYOLUANMO-UHFFFAOYSA-N	239.485	3.381	50	40	BGGB	
CCn1c(CCCCl)nc2ccccc21	36895932	ALMLDZULKWDUQM-UHFFFAOYSA-N	222.719	3.228	50	40	BGGB	
ClCc1nc2cnccc2n1-c1ccccc1	92515399	AUOXZPZJNYMSDN-UHFFFAOYSA-N	243.697	3.159	50	40	BGGB	
ClC[C@@H]1CS[C@@H](c2ccccc2)O1	1766762	CTDIIHZYJVLIFA-ZJUUUORDSA-N	214.717	3.056	50	40	BGGB	
CCCc1ccc(OCCBr)cc1	53333147	WDDXACCQYIHIAM-UHFFFAOYSA-N	243.144	3.413	50	40	BGGB	
O[C](CCl)c1ccc(Cl)cc1Cl	1560409985	AJEGKHDIMQAKIZ-UHFFFAOYSA-N	224.494	3.485	50	40	BGGB	
O=C(Cl)c1ccc(F)c2ccccc12	34348456	CQLBEAMZOMLJJY-UHFFFAOYSA-N	208.619	3.358	50	40	BGGB	
O=C(NC1CC1)c1ccc(C(Cl)Cl)cc1	100564279	CLMWSEUQYCVWLK-UHFFFAOYSA-N	244.121	3.055	50	40	BGGB	
ClCc1cc(Cl)cnc1CCl	97950291	DERRNCZCYUPTLT-UHFFFAOYSA-N	210.491	3.213	50	40	BGGB	
C[C@]12CC[C@H](CC1=N)[C@@]2(C)CBr	16804813	NFNOHWOCHNGOBM-FKTZTGRPSA-N	230.149	3.227	50	40	BGGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Cl	32225672	VNMCKLVHDJADEB-VWYCJHECSA-N	232.751	3.229	50	40	BGGB	
Cc1nc(-c2ccccc2)oc1C(=O)Cl	14988990	ZBYONYNIHONAKB-UHFFFAOYSA-N	221.643	3.029	50	40	BGGB	
O=C(CCl)N1c2ccccc2[C@H]2CCCC[C@H]21	226233625	RDJCASPWJMTSNY-DGCLKSJQSA-N	249.741	3.298	50	40	BGGB	
CCCCN(CCCC)C(=O)C(Cl)Cl	1673011	ADUKNAPXUVHFPK-UHFFFAOYSA-N	240.174	3.219	50	40	BGGB	
FC(F)(F)c1nccc(CCl)c1Cl	95761958	YCHJBKTXWOFBFY-UHFFFAOYSA-N	230.016	3.493	50	40	BGGB	
CN(C)C[C@H](Cl)[C@H](Cl)c1ccccc1	1842942	IQSZGMMFZDOOAV-WDEREUQCSA-N	232.154	3.136	50	40	BGGB	
O=C(NN=C1CCCCCC1)C1CCCC1	5382508	DDJCEIXQELYZHM-UHFFFAOYSA-N	222.332	3.003	50	40	BGGB	
COc1cc(C(=O)Cl)ccc1C(F)(F)F	91252089	RDTSCEWYAIWTQO-UHFFFAOYSA-N	238.592	3.093	50	40	BGGB	in-vitro
CCC[C@H](O)CC[Si](C)(C)CCl	195760507	CAVDELRVTSRILW-VIFPVBQESA-N	208.805	3.024	50	40	BGGB	
O=C(CCl)N1c2ccccc2[C@@H]2CCCC[C@H]21	226233618	RDJCASPWJMTSNY-WCQYABFASA-N	249.741	3.298	50	40	BGGB	
Cc1ccc(N(CCCl)CCCl)cc1	1566827	GDPRJMAJFSDBKX-UHFFFAOYSA-N	232.154	3.279	50	40	BGGB	
Cc1ccc(NC(=O)C(Cl)Cl)cc1C	5546991	OZHUJAQVCRROCC-UHFFFAOYSA-N	232.110	3.046	50	40	BGGB	
Cc1ccc(Cl)c(O[C@H](C)C(=O)CCl)c1	32102743	PRNDNQBSOUVLRC-MRVPVSSYSA-N	247.121	3.224	50	40	BGGB	
CCCOc1c(F)cc(F)cc1C(=O)Cl	95739789	PQQFVZBSGBEJSF-UHFFFAOYSA-N	234.629	3.133	50	40	BGGB	
Cc1cc(Cl)ccc1OCCBr	19511802	SAYMXFPRQVLVEO-UHFFFAOYSA-N	249.535	3.422	50	40	BGGB	
C/C(C=O)=C\c1ccc(Br)s1	86208337	SQHZXZCKORVMJV-GQCTYLIASA-N	231.114	3.113	50	40	BGGB	
C[C@H](C(=O)Cl)c1ccc(Cl)c([N+](=O)[O-])c1	98213496	HNYBTZMBRPPJHE-YFKPBYRVSA-N	248.065	3.117	50	40	BGGB	
Cc1c(F)c(C)c(F)c(CCl)c1F	2525725	VPXWPWYSDWFALC-UHFFFAOYSA-N	208.610	3.460	50	40	BGGB	
CCC[C@@H](/C(C)=N\NC(N)=O)C1CCCCC1	16930622	UOQGTWPGZLBVHU-GQVHDAKQSA-N	239.363	3.027	50	40	BGGB	
Cc1ccc(SCCBr)cc1	19487950	SJYMFNOEMCJVHR-UHFFFAOYSA-N	231.158	3.482	50	40	BGGB	
Cc1cc(Cl)ccc1NC(=O)[C@H](C)Cl	19518871	UAHWAKOGFACBOT-ZETCQYMHSA-N	232.110	3.214	50	40	BGGB	
O=C(CCl)Cc1cccc2ccccc12	32180842	XXAHJWXMNCZLNX-UHFFFAOYSA-N	218.683	3.190	50	40	BGGB	
CCC(/C=N/NC(=O)c1ccc(C)cc1C)CC	6046556	HJVXNRJBGIJGGY-MHWRWJLKSA-N	246.354	3.455	50	40	BGGB	
CCOC(=O)C(C#N)=C([C@@H](C)CC)[C@H](C)CC	16929469	BUTDYGWAOQXGCV-PHIMTYICSA-N	237.343	3.462	50	40	BGGB	
O=C(OCCCl)c1cccc2ccccc12	1689271	VYFHRBYIYPMHBR-UHFFFAOYSA-N	234.682	3.235	50	40	BGGB	
Cc1cc(C(=O)CCl)c(C)c(C)c1C	3441785	OBBHUFRXYWYYLC-UHFFFAOYSA-N	210.704	3.342	50	40	BGGB	in-vitro
O=C(Cl)O[C@H](Cl)C(Cl)(Cl)Cl	4262408	RINXZIYBNVEZRT-SFOWXEAESA-N	246.304	3.297	50	40	BGGB	
O=C(Cl)C1(c2cccs2)CCCC1	38478347	BOGKQYNIEGWOJH-UHFFFAOYSA-N	214.717	3.325	50	40	BGGB	
N#Cc1c(Cl)cc(C(=O)Cl)cc1Cl	45919867	CCCZJWIXSIYWLY-UHFFFAOYSA-N	234.469	3.244	50	40	BGGB	
Cc1ccc(-c2nnc([C@@H](C)Cl)o2)cc1	4206881	LRGUTMKVLNDWTK-MRVPVSSYSA-N	222.675	3.345	50	40	BGGB	in-vitro
N#C/C(=C/c1ccc(O)cc1)c1ccccc1	31934960	PCAHGBQKBLYLIZ-UVTDQMKNSA-N	221.259	3.456	50	40	BGGB	
CC(C)(C)c1ccc(NC(=O)CCl)cc1	53296558	SJBCCFZTXLOITD-UHFFFAOYSA-N	225.719	3.161	50	40	BGGB	in-vitro
BrCc1ccc2c(c1)CCCC2	69803669	INYVMCJPALSCPL-UHFFFAOYSA-N	225.129	3.460	50	40	BGGB	in-vitro
CC1=C[C@@H](C)[C@H](COC(=O)CCl)[C@@H](C)C1	501379	XFKKLFJLWBBJEM-VWYCJHECSA-N	230.735	3.007	50	40	BGGB	
CC(=O)[C@@H](Cc1ccccc1Cl)SC#N	3434833	YJUSSVSUGZYYNG-LLVKDONJSA-N	239.727	3.054	50	40	BGGB	
CC(C)CCOc1ccccc1C(=O)Cl	95739811	WZQYIJPNFDMMEC-UHFFFAOYSA-N	226.703	3.491	50	40	BGGB	
Cc1cc(C)c(C)c(OCCBr)c1	20425563	PLMVVWHWNOIAHB-UHFFFAOYSA-N	243.144	3.386	50	40	BGGB	
Cc1ccc(-c2cnc(CCC(=O)Cl)o2)cc1	26443204	MZQTUIYLNHYTSS-UHFFFAOYSA-N	249.697	3.348	50	40	BGGB	
C[C@H](Br)c1ccc(C#N)cc1	32012327	ABYAXYCLTMBACL-ZETCQYMHSA-N	210.074	3.014	50	40	BGGB	in-vitro
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCl	12275536	XHQPKRVACXDVNV-MXWKQRLJSA-N	232.751	3.229	50	40	BGGB	in-vitro
O=CC1=C(O)/C(=C\c2ccccc2)CCC1	17428109	OWSXNQXMLFUBIS-XFXZXTDPSA-N	214.264	3.265	50	40	BGGB	
CCCCOc1ccc(C(=O)Cl)cc1F	95739820	CPBKSKCWGJQNGH-UHFFFAOYSA-N	230.666	3.384	50	40	BGGB	
O=C1OC(CCCCl)=N/C1=C/c1ccccc1	1708568	UXXDHOKNYPOEKH-PKNBQFBNSA-N	249.697	3.002	50	40	BGGB	
CCCOc1ccc(C(=O)Cl)cc1C	39057509	IZQSHOOIUXRSFP-UHFFFAOYSA-N	212.676	3.163	50	40	BGGB	
N#CC(C(=O)Nc1ccccc1)=C1CCCC1	127281	DDQXPYNGJSLMRU-UHFFFAOYSA-N	226.279	3.019	50	40	BGGB	
C[C@H](CBr)CCCBr	2048740	UTNRTAHSAPJDBX-LURJTMIESA-N	243.970	3.193	50	40	BGGB	
O=C=Nc1csc(-c2cccc(Cl)c2)n1	5177739	CSRQTKPTVAWVQQ-UHFFFAOYSA-N	236.683	3.431	50	40	BGGB	
Fc1cc(CBr)c2ncccc2c1	12540148	NOBVXSWUZDZIMX-UHFFFAOYSA-N	240.075	3.269	50	40	BGGB	
Cc1cc(OC(F)(F)[C@H](F)Cl)ccc1O	34343455	WBUZWDWYEGWODV-QMMMGPOBSA-N	240.608	3.207	50	40	BGGB	
FC(F)(F)c1ccc(CCl)c(Cl)n1	90500376	WFJHZHHDELZBRW-UHFFFAOYSA-N	230.016	3.493	50	40	BGGB	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CCl	12275543	XHQPKRVACXDVNV-AXFHLTTASA-N	232.751	3.229	50	40	BGGB	
C/C(C=O)=C\c1cccc(C(F)(F)F)c1	86208283	BJXCVXLZDSBENM-VMPITWQZSA-N	214.186	3.308	50	40	BGGB	
[C-]#[N+][C@@H](C)c1ccc(Br)cc1	95698341	PUAIOEGVHPLDIY-ZETCQYMHSA-N	210.074	3.429	50	40	BGGB	
Cc1ccc(/C=C(\C#N)c2ccccn2)o1	6209268	LFXKGEOUCNMUOH-DHZHZOJOSA-N	210.236	3.047	50	40	BGGB	
Cc1ccc(O[C@@H](C)CBr)cc1C	41288090	CAHBBHQHBKQTMN-JTQLQIEISA-N	243.144	3.466	50	40	BGGB	
O=C(CCCCCl)Nc1ccccc1	20204320	OECAQZQUZRVWAS-UHFFFAOYSA-N	211.692	3.034	50	40	BGGB	
FC(F)(F)c1ccc2c(c1)N=CN[C@H]2Cl	26894448	OPKJLWLUWHDKSC-MRVPVSSYSA-N	234.608	3.206	50	40	BGGB	
Cc1ccsc1CN(C(=O)CCl)C(C)C	79436267	GEHOXOGFMZPFGK-UHFFFAOYSA-N	245.775	3.032	50	40	BGGB	
C[C@H](Cl)C(=O)c1ccc(Cl)cc1F	238423965	ZQSAZPWVBTWECP-YFKPBYRVSA-N	221.058	3.289	50	40	BGGB	
C[C@@H](Cl)C[C@H](Cl)C(=O)c1ccccc1	59794038	OIRCYOYIMDSYTD-SCZZXKLOSA-N	231.122	3.494	50	40	BGGB	
Cc1cc(CCl)cnc1N1CCCCC1	72222451	WKTNJSCOZXTDQX-UHFFFAOYSA-N	224.735	3.119	50	40	BGGB	
Cc1ccc2nc(C)cc(C(=O)Cl)c2c1	201886408	KGGGLSOFBXKCOA-UHFFFAOYSA-N	219.671	3.231	50	40	BGGB	
O=C(NCCCl)Oc1ccc2ccccc2c1	1615356	WSBISMUDHDVTTR-UHFFFAOYSA-N	249.697	3.167	50	40	BGGB	
COc1ccc(/C(C#N)=C/c2cccnc2)cc1	11535821	RQWSCDRFGHLEGJ-NTEUORMPSA-N	236.274	3.154	50	40	BGGB	in-vitro
CCCC(=O)OC(=O)c1ccc(Cl)c(C)c1	228916260	WNXGWIZYHMLICY-UHFFFAOYSA-N	240.686	3.132	50	40	BGGB	
C=CCn1cc(C=C(C#N)C#N)c2ccccc21	303053	NSTMHXQVORIVQC-UHFFFAOYSA-N	233.274	3.258	50	40	BGGB	
O=C(Cl)c1ccc(Oc2ccccn2)cc1	12370376	RUXGFQOJMJJPND-UHFFFAOYSA-N	233.654	3.253	50	40	BGGB	
Fc1cc(Cl)ccc1-c1nc(CCl)no1	34955985	BHQPGUWKTUMWJH-UHFFFAOYSA-N	247.056	3.268	50	40	BGGB	in-vitro
CC(C)c1ccc([C@H](C)NC(=O)CCl)cc1	3394901	OEHBKRFGXPACOL-JTQLQIEISA-N	239.746	3.226	50	40	BGGB	
COc1cc(C)c(C(=O)[C@H](C)Cl)cc1C	36161812	VNDXGHVGFVPYSU-VIFPVBQESA-N	226.703	3.122	50	40	BGGB	
N#C[C@@H](Cl)c1ccc(Br)cc1	45626855	KFLSWBIZJLBAHJ-MRVPVSSYSA-N	230.492	3.253	50	40	BGGB	
CC(=O)OCC[C@@]12CC[C@H](C[C@@H]1Cl)C2(C)C	104037919	YWOJGNWRTPVBLC-MDZLAQPJSA-N	244.762	3.373	50	40	BGGB	
C[C@H](Cl)c1nc(-c2ccccc2)no1	7779447	WLWPNBHEEVRYRC-ZETCQYMHSA-N	208.648	3.036	50	40	BGGB	in-vitro
CC12[C@@H]3CC(C[C@H]31)[C@]2(C)CBr	100646440	AALZFQPZRNVYHT-ACQSPKOOSA-N	215.134	3.064	50	40	BGGB	
C[C@H](Cl)C(=O)c1cccc(Cl)c1	2599166	ZLIOMKNHDYJAFI-LURJTMIESA-N	203.068	3.150	50	40	BGGB	
CC(C)=NNC(=O)c1ccc(Cl)c(Cl)c1	5601623	XNVUXEKCECMBOQ-UHFFFAOYSA-N	245.109	3.119	50	40	BGGB	
CCCCCCC(=O)N/N=C1/C[C@@H]2C=CC[C@@H]12	4150428	HCBDHXQNOVKSRG-SWLSLZBESA-N	234.343	3.025	50	40	BGGB	
Cc1cccc(C(=O)C(C)(C)CCl)c1	306901347	NVVIIQQEQVLBQD-UHFFFAOYSA-N	210.704	3.443	50	40	BGGB	
O=C1CC[C@@H](c2ccccc2)C[C@H]1Cl	55345757	ZMCRXOQTWSQMDG-GHMZBOCLSA-N	208.688	3.131	50	40	BGGB	
Fc1cc(C#CCCl)ccc1Cl	95633381	RLFDXHODKJWERA-UHFFFAOYSA-N	203.043	3.069	50	40	BGGB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CCl	1456323	XHQPKRVACXDVNV-HBNTYKKESA-N	232.751	3.229	50	40	BGGB	
Cc1ccc2c(c1)C(=C(C#N)C#N)CCS2	1700925	SYLVDJILGGVGEJ-UHFFFAOYSA-N	226.304	3.292	50	40	BGGB	
C[C@H](CCl)N(CCCl)Cc1ccccc1	6491762	WENDWAGJOKZBMM-LLVKDONJSA-N	246.181	3.355	50	40	BGGB	
CCOC(=O)/C(C#N)=C1/C[C@H]2CC[C@]1(C)C2(C)C	12436932	ARVCOWFLQDTTAV-XAYUNXTDSA-N	247.338	3.216	50	40	BGGB	
ClCc1nc2c(s1)CCCCC2	45205943	IZLGWIMDZQMEHX-UHFFFAOYSA-N	201.722	3.151	50	40	BGGB	
Cc1ccc(CI)c(C)c1	71254641	FPIGUZMINFLMCN-UHFFFAOYSA-N	246.091	3.238	50	40	BGGB	
Cc1cc(F)ccc1C(=O)CCCCl	85055647	VMZZBWKHHBTFDF-UHFFFAOYSA-N	214.667	3.336	50	40	BGGB	
Cc1cccc(Cl)c1NC(=O)[C@@H](C)Cl	28166211	LWQFPPAHCUJNHK-SSDOTTSWSA-N	232.110	3.214	50	40	BGGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1ccccc1	1601774	OIKLEXHAFRNQHO-KAMYIIQDSA-N	248.285	3.232	50	40	BGGB	
N#CSCc1ccc(C(F)(F)F)cc1	32138426	UOEGYIHZYAYEQF-UHFFFAOYSA-N	217.215	3.420	50	40	BGGB	
CC(C)Oc1ccccc1CBr	36894695	OTDOXYWDWBIHNB-UHFFFAOYSA-N	229.117	3.369	50	40	BGGB	
CC(C)(CCl)c1nc(-c2cccs2)no1	95215896	YBVJZEYLBSTVSA-UHFFFAOYSA-N	242.731	3.315	50	40	BGGB	
CC(C)=C(C#N)c1nc2cc(C)ccc2[nH]1	340098	LLZCCJZTBNUNIR-UHFFFAOYSA-N	211.268	3.188	50	40	BGGB	
BrCc1cc2ccccc2cn1	38842712	AXSPMUDWTDIMLH-UHFFFAOYSA-N	222.085	3.130	50	40	BGGB	
O=C(c1ccccc1)[C@H](Cl)CCCl	100015036	JIXUCRDJWSDLRP-SECBINFHSA-N	217.095	3.106	50	40	BGGB	
C[C@@H](Cl)C(=O)c1ccc(F)c(Cl)c1	238426626	OPSIPBRAWPSKOF-RXMQYKEDSA-N	221.058	3.289	50	40	BGGB	
Nc1cc(C(F)(F)F)ccc1CCl	8699761	CNGMXHMDNLHHAU-UHFFFAOYSA-N	209.598	3.026	50	40	BGGB	
FS(F)(F)(F)(F)OCCCl	97949939	KNAVTGAJQKHZAS-UHFFFAOYSA-N	206.563	3.455	50	40	BGGB	
O=C(Cl)c1c(F)c(F)c(Cl)c(F)c1F	2585573	BCYRJFXGRNBBAF-UHFFFAOYSA-N	246.974	3.275	50	40	BGGB	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCCSC#N)C2	100732236	HHYIHEISKNFHJZ-LOWVWBTDSA-N	239.384	3.432	50	40	BGGB	
COc1ccc(/C(Cl)=C/C=C(C#N)C#N)cc1	158265	YYKNVXUKXSZHTQ-QPEQYQDCSA-N	244.681	3.248	50	40	BGGB	
O=Cc1c(Cl)cccc1CBr	77024659	NUNAJBBOGNCZCI-UHFFFAOYSA-N	233.492	3.047	50	40	BGGB	
N#CC(C#N)=C/C=C(\Cl)c1ccccc1	160276	AMXZIDAMUMHHPB-GHXNOFRVSA-N	214.655	3.240	50	40	BGGB	
CC1=C/C(=N\NC(=O)c2ccccc2Cl)CC1	5159319	YFKOIYCIDUOJBE-GDNBJRDFSA-N	248.713	3.166	50	40	BGGB	
COc1ccc(C(F)(F)F)cc1C(=O)Cl	34589920	YRNOLZJRZSOMLM-UHFFFAOYSA-N	238.592	3.093	50	40	BGGB	
CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@H](O)C1	203599684	CDSBXCXRCZIGQX-QWRGUYRKSA-N	230.424	3.169	50	40	BGGB	
CN(C)C[C@H](Cl)[C@@H](Cl)c1ccccc1	1842946	IQSZGMMFZDOOAV-QWRGUYRKSA-N	232.154	3.136	50	40	BGGB	
C[C@@H]1CCC/C(=N\NC(=O)c2cccs2)C1	4507895	BLKDAGGYWZWOQA-YPJZTRPGSA-N	236.340	3.044	50	40	BGGB	
Nc1nc(-c2ccccc2)c(N=C=S)s1	522109	VWHDAMSYRJICTE-UHFFFAOYSA-N	233.321	3.127	50	40	BGGB	
C=C[C@H](Cl)CCOCC[C@@H](Cl)C=C	1687040	DFDZFIOAMJPBEY-UWVGGRQHSA-N	223.143	3.370	50	40	BGGB	
CC(C)C[C@H](NC(=O)CCl)c1ccccc1	4205579	BREYCRYNLNAGQS-LBPRGKRZSA-N	239.746	3.129	50	40	BGGB	
N#Cc1cc(CBr)ccc1Cl	34212413	YHKXYWAZCJAGKK-UHFFFAOYSA-N	230.492	3.107	50	40	BGGB	
C[C@@H](Br)c1cccc(F)c1	57214453	OGJJCUDCZNSGDK-ZCFIWIBFSA-N	203.054	3.282	50	40	BGGB	
N#C/C(=C/c1ccccc1)c1ccccn1	6269518	VYAKUOUEVIVXAA-RAXLEYEMSA-N	206.248	3.146	50	40	BGGB	
Cl[C@H]1CCCC[C@@H]1n1nc2ccccc2n1	482055	MPXXTMIXICKMEO-CABZTGNLSA-N	235.718	3.154	50	40	BGGB	
O=C=Nc1cc(Cl)ccc1CCl	39223788	FPOBDCZJRBPVGF-UHFFFAOYSA-N	202.040	3.046	50	40	BGGB	
O=C(CCl)Oc1ccc(-c2ccccc2)cc1	137706	WUUVYGBVFQJTLM-UHFFFAOYSA-N	246.693	3.498	50	40	BGGB	
CC(=O)c1ccc([C@H]2C[C@H]2Br)cc1	158102	IZPFRNGYGYSBPA-GHMZBOCLSA-N	239.112	3.140	50	40	BGGB	
ClC[C@@H]1CSC2(CCCCC2)O1	2032202	SQGGASXMSPJPJH-MRVPVSSYSA-N	206.738	3.018	50	40	BGGB	
F[C@@]1(Br)CC=CC=C1CCl	95944487	QFBVAKPOIFPIJM-ZETCQYMHSA-N	225.488	3.172	50	40	BGGB	
CC[C@H](Cl)C(=O)c1cccc(F)c1	306578880	MRUDUCASFZJOIY-VIFPVBQESA-N	200.640	3.026	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)cc1	2168637	OKNFSCQEZGLFOU-DHZHZOJOSA-N	231.270	3.348	50	40	BGGB	
CCC[C@](C)(Br)CBr	102125946	JNWPBSNRFLWBNI-LURJTMIESA-N	243.970	3.335	50	40	BGGB	
CCCCOc1cc(C(=O)Cl)ccc1OC	33434879	ACBCJUORMJAFRU-UHFFFAOYSA-N	242.702	3.253	50	40	BGGB	
N#Cc1ccc(CBr)c(Cl)c1	39377765	OWKYKQSLKAJOBT-UHFFFAOYSA-N	230.492	3.107	50	40	BGGB	in-vitro
C[C@@]12CC[C@@H](CC1=N)[C@]2(C)CBr	136124876	NFNOHWOCHNGOBM-SFGNSQDASA-N	230.149	3.227	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C/Nc1ccccc1F	2513653	SDXXACLBZHOMRE-MDZDMXLPSA-N	246.285	3.260	50	40	BGGB	
ClCc1noc(-c2sccc2Cl)n1	87721428	GDQVFJCUMGTGBI-UHFFFAOYSA-N	235.095	3.190	50	40	BGGB	
CC(C)COc1ccc(F)cc1C(=O)Cl	95739773	VPDIUMNMDDQLSC-UHFFFAOYSA-N	230.666	3.240	50	40	BGGB	
FC(F)COc1ccccc1CCl	37756188	RUCIQOFAYHKTGG-UHFFFAOYSA-N	206.619	3.069	50	40	BGGB	
CCOP(=O)(CCCCCl)OCC	96394987	NFDOTROBGXYZAB-UHFFFAOYSA-N	228.656	3.272	50	40	BGGB	
Fc1cccc([C@@H]2C[C@H]2Br)c1	98209852	VOOZPOZLXOGGPR-DTWKUNHWSA-N	215.065	3.077	50	40	BGGB	
CCC(CC)=NNC(=O)[C@H]1C[C@@H]1c1ccccc1	370043	JLUSZRIOVPMCCO-KGLIPLIRSA-N	244.338	3.082	50	40	BGGB	
CC(=O)Oc1cc(CCl)c(C)c(CCl)c1	2243474	FVGIYXWNCQREFF-UHFFFAOYSA-N	247.121	3.398	50	40	BGGB	
CCC[C@@H](/C(C)=N/NC(N)=O)C1CCCCC1	5084726	UOQGTWPGZLBVHU-XBUHWIKASA-N	239.363	3.027	50	40	BGGB	
COc1ccc(C(=O)Cl)cc1OCC(C)C	58002723	WUQYTGODWNXKSG-UHFFFAOYSA-N	242.702	3.109	50	40	BGGB	
CC(C)(C)[C@H](NC(=O)CCl)c1cccs1	60273297	OCXXRBZSXWQDMR-SNVBAGLBSA-N	245.775	3.190	50	40	BGGB	in-vitro
ClCc1cnc(Cl)c(Br)c1	98181008	QLDHITAFZVTABS-UHFFFAOYSA-N	240.915	3.236	50	40	BGGB	
N#CC(C#N)=C(/C=C/c1ccccc1)C1CC1	567105	MLVRCPFAKYXOQN-RMKNXTFCSA-N	220.275	3.454	50	40	BGGB	
Cc1ccc(-c2nc(C)cc(N=C=S)n2)cc1	8731090	LZOIFQOHWLTPJI-UHFFFAOYSA-N	241.319	3.495	50	40	BGGB	
COc1ccc(Cl)cc1/C=C\C=C(C#N)C#N	16920230	HNVCTNZGJAKYMD-RQOWECAXSA-N	244.681	3.335	50	40	BGGB	
Cc1ccc(NC(=O)[C@H](C)Cl)c(Cl)c1	20363149	IRMCANJRUCPJSF-ZETCQYMHSA-N	232.110	3.214	50	40	BGGB	in-vitro
CC(C)(C)C#C[C@@]1(C)C[C@@H]1Br	55117092	GFAVMAMCCIXTPT-WPRPVWTQSA-N	215.134	3.209	50	40	BGGB	
FC(F)(F)[C@H](Cl)C(F)(Cl)Cl	63148451	WFHFXEYKXJKYMG-PVQJCKRUSA-N	219.392	3.257	50	40	BGGB	in-vitro
Cc1cc2c(cc1C)[C@H](Cl)N[C@@H](Cl)N2	100183639	LEBBEVDINUHSNX-ZJUUUORDSA-N	231.126	3.078	50	40	BGGB	
O=C(N[C@H]1CCCC[C@@H]1Cl)C1CCCCC1	1712122	NCYNGUGTGPXVDF-RYUDHWBXSA-N	243.778	3.233	50	40	BGGB	
C[C@H](/C=N/NC(=O)OC(C)(C)C)c1ccccc1	7947447	IFCWQZCZIZUXNI-HGLKBHAMSA-N	248.326	3.301	50	40	BGGB	
S=C=N[C@@H]1CCC[C@H]1OCc1ccccc1	2548028	XPXSISUCDSDZAB-CHWSQXEVSA-N	233.336	3.227	50	40	BGGB	
COc1cccc(/C=C/C(=O)Cl)c1Cl	72209079	WVSKMIZEWMGMGR-AATRIKPKSA-N	231.078	3.127	50	40	BGGB	
O=C(CCCCl)Nc1ccc(Cl)cc1	2680254	BNZXIXIKAVPDJW-UHFFFAOYSA-N	232.110	3.298	50	40	BGGB	
CCc1cc(Cl)c(OC)c(C(=O)Cl)c1	57339161	CFIIHYJFSPCCCS-UHFFFAOYSA-N	233.094	3.290	50	40	BGGB	
C[C@H](c1ccccc1)N1CC[C@@H](CCl)C1	83291754	IFARNTRSDZVQOX-NEPJUHHUSA-N	223.747	3.308	50	40	BGGB	
Fc1ccc(C#CCCl)cc1Cl	95632873	AKXOZEQQKQAFEU-UHFFFAOYSA-N	203.043	3.069	50	40	BGGB	
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCl	37654145	SNTJAMYDIOVCFP-MRVPVSSYSA-N	246.137	3.098	50	40	BGGB	
BrCCSC1CCCCC1	37684819	YGQOMTRGSXFOEB-UHFFFAOYSA-N	223.179	3.447	50	40	BGGB	in-vitro
CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCSC#N)C2	2291221	HHYIHEISKNFHJZ-DMDPSCGWSA-N	239.384	3.432	50	40	BGGB	
O=C(CCl)c1cc(Cl)ccc1Cl	2650135	CXEVBWANBXAQSY-UHFFFAOYSA-N	223.486	3.415	50	40	BGGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](O)C1	217829426	CDSBXCXRCZIGQX-GHMZBOCLSA-N	230.424	3.169	50	40	BGGB	
Nc1ccccc1S[C@H](Cl)C(F)(F)F	12505814	JJAPPZLXGFYTDB-ZETCQYMHSA-N	241.665	3.488	50	40	BGGB	
Cc1cc(C)c(C(=O)[C@@H](C)Cl)c(C)c1	19396541	AGVRPCZMKHMBNL-SNVBAGLBSA-N	210.704	3.422	50	40	BGGB	
CC(C)(C)OC(=O)NC1CCC(Cl)CC1	39320537	CMCDIYDINSZOJF-UHFFFAOYSA-N	233.739	3.061	50	40	BGGB	
CCc1ccc(CC)c(C(=O)CCl)c1	4200367	LJMGDBWVAJPKIE-UHFFFAOYSA-N	210.704	3.233	50	40	BGGB	in-vitro
COc1ccc(-c2nc(CCl)co2)cc1	12505711	UUZBMZDVUFFUDE-UHFFFAOYSA-N	223.659	3.089	50	40	BGGB	in-vitro
CC(C)(CCl)C(=O)c1cc(F)ccc1F	308817401	WIIDWGOZDVOSHA-UHFFFAOYSA-N	232.657	3.413	50	40	BGGB	
CCOC(=O)CCCCCCCCC(=O)Cl	1687918	UYQCPLVIWOWNDT-UHFFFAOYSA-N	248.750	3.436	50	40	BGGB	
[C-]#[N+]CCCN(CCCC)[C@@H](CC)[N+]#[C-]	238206216	ZOBFUINROOHMGB-LBPRGKRZSA-N	207.321	3.053	50	40	BGGB	
COc1c(C)cc(CBr)cc1C	330204	UNHHRBRRQFFQIT-UHFFFAOYSA-N	229.117	3.207	50	40	BGGB	in-vitro
C[C@H]1CCC/C(=N\NC(=O)c2ccc(F)cc2)C1	5159883	ZUIJYBYXAQZFIG-CDSOTZFASA-N	248.301	3.122	50	40	BGGB	
Fc1ccc2nc(CCl)nc(Cl)c2c1	59072767	ANLNVUDMKOGLGM-UHFFFAOYSA-N	231.057	3.161	50	40	BGGB	
C[C@@]1(C(Cl)Cl)C(=O)C=Cc2ccccc21	1686733	GMFHLSDOUSBYTK-LBPRGKRZSA-N	241.117	3.344	50	40	BGGB	
COc1ccccc1-c1cnc(CCl)o1	36903564	SJXQWRIEACEHQV-UHFFFAOYSA-N	223.659	3.089	50	40	BGGB	in-vitro
CC(C)COCc1cc(Cl)nc(CCl)n1	95094007	YNNOJCHYVMFFIT-UHFFFAOYSA-N	249.141	3.041	50	40	BGGB	
Cc1ccc(OCC(C)C)c(C(=O)Cl)c1	95739841	JZDMALFRXFBZJZ-UHFFFAOYSA-N	226.703	3.409	50	40	BGGB	
Cl[C@H]1[C@H]2C[C@H](c3ccccc32)[C@H]1Cl	1712239	LSZRQYDYYAPANK-DTIDVZRVSA-N	213.107	3.486	50	40	BGGB	
[N-]=[N+]=NP(=O)(c1ccccc1)c1ccccc1	59699286	MKRTXPORKIRPDG-UHFFFAOYSA-N	243.206	3.226	50	40	BGGB	
CC(C)(C)[C@@H](Br)CBr	1766620	WNIGXZWEUAJOHE-YFKPBYRVSA-N	243.970	3.191	50	40	BGGB	
CC1CCC(=NNC(=O)OC(C)(C)C)CC1	5163715	HMQQEECSFRZKJO-UHFFFAOYSA-N	226.320	3.077	50	40	BGGB	
Cn1c(/C(C#N)=C\c2ccco2)nc2ccccc21	33377485	JHFMOZFZRFCFRA-LUAWRHEFSA-N	249.273	3.230	50	40	BGGB	
C[C@@]12CC[C@@H](C/C1=N/O)[C@@]2(C)CBr	100320144	AWBFTBBHLBKDMO-XTIYTBHCSA-N	246.148	3.038	50	40	BGGB	
BrC1[C@H]2CC/C=C/CC[C@@H]12	104270424	LXKYTJPGCHYCAW-MAYGVTMKSA-N	201.107	3.126	50	40	BGGB	
C[Si](C)(C)OSc1ccccc1[N+](=O)[O-]	195781246	UGLDXDYSHBJAEO-UHFFFAOYSA-N	243.360	3.453	50	40	BGGB	
CN(C)c1ccc(C(=O)C(C)(C)CCl)cc1	382676263	RXYVOSZBKKZJAR-UHFFFAOYSA-N	239.746	3.200	50	40	BGGB	
Cc1c(C)c(C)c(NC(=O)CCl)c(C)c1C	98213657	JRQMFQJWDCQQQN-UHFFFAOYSA-N	239.746	3.406	50	40	BGGB	
CCC(C)(C)C1CCC(NC(=O)CCl)CC1	4219132	UGMTZUDHQBTDOC-UHFFFAOYSA-N	245.794	3.336	50	40	BGGB	
COc1ccc(C(=O)CCCCCl)cc1	2566534	YYSTYNWZWNOXOQ-UHFFFAOYSA-N	226.703	3.287	50	40	BGGB	
N#C[C@@H](Cl)c1cc(Br)ccc1F	45626793	BFPAWRGETBHGET-SSDOTTSWSA-N	248.482	3.392	50	40	BGGB	
Cc1csc(/C(C#N)=C\c2ccco2)n1	48520696	CGGLTCRXCVEDOF-UITAMQMPSA-N	216.265	3.109	50	40	BGGB	
FC(F)(F)C[C@H](Cl)C(F)(F)Cl	71790228	FTPHAWKOBMZSCZ-REOHCLBHSA-N	216.964	3.378	50	40	BGGB	in-vitro
Cc1cc(C)nc(/C(C#N)=C\c2ccccc2)n1	40498072	CRZLZZYYZRWUHQ-ZROIWOOFSA-N	235.290	3.158	50	40	BGGB	
COc1ccc([C@H]2C[C@@H](C)C=C(C#N)O2)cc1	4267778	QAMQRVKEZVQORK-IINYFYTJSA-N	229.279	3.200	50	40	BGGB	biogenic
Cc1ccc(C(=O)C(C)(C)CCl)cc1	238547879	XCVGHFRMKOOMSH-UHFFFAOYSA-N	210.704	3.443	50	40	BGGB	
COc1ccc(-c2cc(CCl)no2)cc1	20315413	SAACBBIHVKPXPJ-UHFFFAOYSA-N	223.659	3.089	50	40	BGGB	
N#CC1=C(N)c2ccccc2[C@@H]1c1ccccc1	8627276	HRLQNRIQFQNYKE-HNNXBMFYSA-N	232.286	3.025	50	40	BGGB	
CCc1ccc(O[C@@H](C)CBr)cc1	41288059	MNWNAJNEOYOCHN-VIFPVBQESA-N	243.144	3.411	50	40	BGGB	
CCOC(=O)/C(C#N)=C1\C[C@H]2CC[C@@]1(C)C2(C)C	100206690	ARVCOWFLQDTTAV-PCZYVPPBSA-N	247.338	3.216	50	40	BGGB	
O=C(Cl)CCc1ccccc1Cl	34474818	QOQYBKQKBZOSAK-UHFFFAOYSA-N	203.068	3.038	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cccc(F)c1F	306315499	GEMONWCCXHQPHZ-SSDOTTSWSA-N	218.630	3.165	50	40	BGGB	
COc1cc(C(=O)CCCCCl)ccc1F	382710418	XQOPPSCPTQXVSF-UHFFFAOYSA-N	244.693	3.426	50	40	BGGB	
C=C(C)[C@@H]1CCC(C)=C1CC/C(C)=N\NC(N)=O	13940327	YLEXIIDWHBFOPU-IEMQHYRPSA-N	249.358	3.113	50	40	BGGB	
C[C@H](Cl)C(=O)N1CCC[C@@H]1c1cccs1	37497790	HEKRBRLZYDJCIV-DTWKUNHWSA-N	243.759	3.039	50	40	BGGB	in-vitro
CC(C)(C)c1ccc(OC(=O)CCl)cc1	1586509	PYLFASLKMVYXQY-UHFFFAOYSA-N	226.703	3.128	50	40	BGGB	
C[C@@]12CC[C@@H](C/C1=N\O)[C@@]2(C)CBr	5592189	AWBFTBBHLBKDMO-MMCYLPDQSA-N	246.148	3.038	50	40	BGGB	
O=C(OCCl)Oc1ccc(Cl)cc1	160223	SYPJPQUKKYSYEQ-UHFFFAOYSA-N	221.039	3.052	50	40	BGGB	
Cc1cccc(NC(=O)NCCCl)c1Cl	1623533	PKYNYKWDGLIOTC-UHFFFAOYSA-N	247.125	3.009	50	40	BGGB	
CC(C)=C[C@H]1[C@H](COC(=O)CCl)C1(C)C	1663798	KNOKNDQYQDPTQN-UWVGGRQHSA-N	230.735	3.007	50	40	BGGB	
COc1cc(F)cc(C(=O)CCCCl)c1	382674022	IWEKTYYLFRFETM-UHFFFAOYSA-N	230.666	3.036	50	40	BGGB	
CCOC(=O)/C(C#N)=C1/C[C@@H]2CC[C@@]1(C)C2(C)C	258488	ARVCOWFLQDTTAV-SAAVJZSFSA-N	247.338	3.216	50	40	BGGB	
CN(CCCl)C[C@H](Cl)c1ccccc1	1690696	KUSNCWLQRVMIRN-NSHDSACASA-N	232.154	3.137	50	40	BGGB	
N#C/C(=C/c1cccc(O)c1)c1ccccc1	31934944	YZKQZEBDIXUJQM-ZROIWOOFSA-N	221.259	3.456	50	40	BGGB	
CCCCc1cc(Cl)nc(CCl)n1	72209933	KGEQVQWHMKQSLB-UHFFFAOYSA-N	219.115	3.211	50	40	BGGB	
O=C(CCCCl)c1cc(F)cc(F)c1	85055613	XRMXRKCEOOBDBW-UHFFFAOYSA-N	218.630	3.167	50	40	BGGB	
CCCCCCCC[S@@](=O)CCCl	98002739	LFGJRPHZVVHKAJ-ZDUSSCGKSA-N	224.797	3.334	50	40	BGGB	
N#C/C(=C\c1ccncc1)c1ccccc1	12495358	LWLKQRNTRMQQAO-GXDHUFHOSA-N	206.248	3.146	50	40	BGGB	
Cc1c(Cl)cccc1C(=O)CCl	39055328	DZVPLLHJCUDRMQ-UHFFFAOYSA-N	203.068	3.070	50	40	BGGB	
O=C(Cl)C(F)(F)Sc1ccccc1	22114971	URWSMHRERUCCAG-UHFFFAOYSA-N	222.643	3.137	50	40	BGGB	
CCOC(=O)[C@H](C)c1ccc(CCl)cc1	34597834	LJRSKOFNPMYRSO-SECBINFHSA-N	226.703	3.092	50	40	BGGB	in-vitro
O=C(Cl)c1ccc(F)c(OC(F)(F)F)c1	39712946	ASKQDNJBLSIOJP-UHFFFAOYSA-N	242.555	3.103	50	40	BGGB	
CC12C[C@H]3C[C@H](C1)CC(N=C=S)(C3)C2	100017984	ZJAYYILGFJOGCD-QYNFOATHSA-N	207.342	3.448	50	40	BGGB	
CC(C)(C)C1CCC(NC(=N)CCl)CC1	1731847	KLGVYBIJMZWUNS-UHFFFAOYSA-N	230.783	3.397	50	40	BGGB	
Cc1ccc(C(=O)NN=C2CCCCCC2)cc1	5540605	HQLPXFIRRKBTDV-UHFFFAOYSA-N	244.338	3.435	50	40	BGGB	
C=C(C)[C@H]1CCC(C)=C1CC/C(C)=N\NC(N)=O	13940328	YLEXIIDWHBFOPU-COOUDCDJSA-N	249.358	3.113	50	40	BGGB	
COc1ccc(-c2noc([C@H](C)Cl)n2)cc1	35660398	KLXXFYYQCQGACJ-ZETCQYMHSA-N	238.674	3.045	50	40	BGGB	
O=C(Cl)c1c[nH]c2cccc(Cl)c12	199561876	RDYORUQWUKIDMM-UHFFFAOYSA-N	214.051	3.200	50	40	BGGB	
Cc1cc(N2CCCC2)ccc1C=C(C#N)C#N	573877	CBCUKVUPBNRXTB-UHFFFAOYSA-N	237.306	3.026	50	40	BGGB	
CCOC(=O)c1c(N=C=S)sc(C)c1C	2537450	ONDWCCQQWAIQRH-UHFFFAOYSA-N	241.337	3.276	50	40	BGGB	
Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)o1	3247618	NINZZLSZLRNRDB-JXMROGBWSA-N	217.268	3.110	50	40	BGGB	
N#CSCCCC(F)(F)C(F)(F)F	1848351058	DVHJJEPGUHYXDB-UHFFFAOYSA-N	219.178	3.178	50	40	BGGB	
N#C/C(=C\c1ccc(F)cc1)c1ccccn1	4280597	KGWWJKYVPSJOCC-FMIVXFBMSA-N	224.238	3.285	50	40	BGGB	
CC/C(C)=N/NC(=O)c1ccc(C(C)(C)C)cc1	4113334	MOLMYXNYHOBASB-LFIBNONCSA-N	246.354	3.500	50	40	BGGB	
CCCC/C(C)=N/NC(=O)c1ccccc1F	4155727	XQMLCHNNFAAJPX-XNTDXEJSSA-N	236.290	3.122	50	40	BGGB	
COc1ccccc1C(=O)C(C)(C)CCl	394750964	MLQIFWGZICLHQF-UHFFFAOYSA-N	226.703	3.143	50	40	BGGB	
CC(=O)c1ccc([C@H]2C[C@@H]2Br)cc1	6159102	IZPFRNGYGYSBPA-MNOVXSKESA-N	239.112	3.140	50	40	BGGB	
C[C@@H](Br)c1cccnc1Cl	95096514	APHDWSJPXWCRIP-RXMQYKEDSA-N	220.497	3.191	50	40	BGGB	
Cc1c(Cl)cccc1C#CCBr	95631577	NCWAMPKQIBQWOA-UHFFFAOYSA-N	243.531	3.395	50	40	BGGB	
BrC1CCC(Br)CC1	103253301	OALGWDQLKYPDRK-UHFFFAOYSA-N	241.954	3.087	50	40	BGGB	
CCOc1ccc(C=C(C#N)C#N)cc1Cl	408772581	POYMCEHWIBIEBH-UHFFFAOYSA-N	232.670	3.169	50	40	BGGB	
FC(F)(F)Oc1ccccc1C#CCCl	37470646	VEVJJHSJNVBWRM-UHFFFAOYSA-N	234.604	3.176	50	40	BGGB	
FC(F)(F)SCCCBr	91252525	TYRIZFQFJXKSBI-UHFFFAOYSA-N	223.057	3.024	50	40	BGGB	
COc1c(C)cc(C(=O)[C@@H](C)Cl)cc1C	213564902	LUYALMCACZLISR-SECBINFHSA-N	226.703	3.122	50	40	BGGB	
O=C(CCCCl)c1cc(F)c(F)c(F)c1	382699164	NBDGCLGIYNWOEE-UHFFFAOYSA-N	236.620	3.306	50	40	BGGB	
CCCOP(=O)(Cl)OCCC	78206074	MGWMBNBSQQGLAW-UHFFFAOYSA-N	200.602	3.187	50	40	BGGB	in-vitro
O=C(CCCCCl)c1ccccc1F	2378512	DJNGMBINRLLSSP-UHFFFAOYSA-N	214.667	3.418	50	40	BGGB	
CSc1nsc(SC)c1CCl	164990	FSLARRGGFVZUJW-UHFFFAOYSA-N	225.791	3.326	50	40	BGGB	
CC1=C/C(=C(\C#N)c2ccccc2)C=C/C1=N\O	8652275	ZIXGUBOBZGPBQZ-SEKSTKPOSA-N	236.274	3.310	50	40	BGGB	
O=C(CCCCl)c1ccc(OC(F)F)cc1	309519640	XHNQPWFLTVTCPH-UHFFFAOYSA-N	248.656	3.490	50	40	BGGB	
Fc1ccc(C23CC(CCl)(C2)C3)cc1	1772798868	YYLVRFAAWQBWCK-UHFFFAOYSA-N	210.679	3.486	50	40	BGGB	
C[C@H](Cl)c1nnc(-c2ccc(F)cc2)o1	4206878	BQCAPRZDKMIFJX-LURJTMIESA-N	226.638	3.176	50	40	BGGB	in-vitro
Cc1nc(-c2ccc(C(=O)Cl)cc2)cs1	5177638	WJQGMUPBMHWAEX-UHFFFAOYSA-N	237.711	3.498	50	40	BGGB	
O=C(Cl)c1cccc(OC(F)(F)F)c1F	15443473	HTSMSODHCUDYTJ-UHFFFAOYSA-N	242.555	3.103	50	40	BGGB	
Cc1cc(C(=O)N/N=C2\CCC[C@@H](C)C2)c(C)o1	34780972	GHJNSPOQEIYSJR-JWXOYPTNSA-N	248.326	3.192	50	40	BGGB	
COc1ccc2cc(/C=C/C#N)ccc2c1	43559191	WIOGEUIWDDQIMH-NSCUHMNNSA-N	209.248	3.385	50	40	BGGB	in-vitro
Cc1ccc2nc(C(=O)CCl)sc2c1	228962865	HEFZOQKXCZWGGC-UHFFFAOYSA-N	225.700	3.026	50	40	BGGB	
BrCc1ccnc2ccccc12	36426822	QJQXVPCIRZUOIP-UHFFFAOYSA-N	222.085	3.130	50	40	BGGB	
CCOC(=O)[C@H](Cl)c1cccc(Cl)c1	50978471	KMCKFHQUZUANLB-SECBINFHSA-N	233.094	3.183	50	40	BGGB	in-vitro
ClCc1noc(-c2ccc(Cl)cc2)n1	12803991	GZDRVMHSHFNDIU-UHFFFAOYSA-N	229.066	3.129	50	40	BGGB	in-vitro
O=C(Cl)Cc1ccccc1C(F)(F)F	39419968	RORCLOSIOBZREW-UHFFFAOYSA-N	222.593	3.013	50	40	BGGB	
CCc1sc(-c2nnc(CCl)o2)cc1C	4204720	OTZYRHCUUAKIJP-UHFFFAOYSA-N	242.731	3.408	50	40	BGGB	
Fc1ccc2c(Cl)nc(CCl)nc2c1	238620993	GYSSRHYAALQOCF-UHFFFAOYSA-N	231.057	3.161	50	40	BGGB	
COc1cc(C(F)(F)F)ccc1C(=O)Cl	2528360	WWEGQCSCDUEXLU-UHFFFAOYSA-N	238.592	3.093	50	40	BGGB	
O=C(Cl)c1ccc(-c2ccco2)cc1	5177618	SOVAUONZJRXJKK-UHFFFAOYSA-N	206.628	3.326	50	40	BGGB	
C[C@@H](CCl)OC(=O)c1ccccc1Cl	1586543	VNVVUXIKVBPTEH-ZETCQYMHSA-N	233.094	3.124	50	40	BGGB	
N#CC(C#N)=C(C#N)c1cc2cccccc-2c1	2200750	BHIFZXRBSUMEGZ-UHFFFAOYSA-N	229.242	3.116	50	40	BGGB	
CCCCCC(=O)N/N=C(\C)c1cccs1	5308385	ZAAJVZZJFMRMNQ-JLHYYAGUSA-N	238.356	3.169	50	40	BGGB	
O[C@@H](CCl)C(c1ccccc1)c1ccccc1	165652663	JQAVYZDFXKPPAU-AWEZNQCLSA-N	246.737	3.418	50	40	BGGB	
Fc1ccccc1[C@H]1C[C@@H]1Br	242648538	QYOBQKVDLFQBBY-SFYZADRCSA-N	215.065	3.077	50	40	BGGB	
Cc1cccc(O[C@@H](C)CBr)c1	41250845	HMHGFNIEBKPVGG-VIFPVBQESA-N	229.117	3.157	50	40	BGGB	
CC(C)c1ccc([C@H]2OC[C@@H](CCl)O2)cc1	1677031	KVSVMFVAEKFMTO-OLZOCXBDSA-N	240.730	3.463	50	40	BGGB	
N#C/C(=C\c1cc(F)cc(F)c1)c1ccccn1	5594468	USVLQUDAUIUTEV-VZUCSPMQSA-N	242.228	3.424	50	40	BGGB	
FC(F)(F)c1ccc(CCCl)cc1	50518806	FXUSYUITULUXLI-UHFFFAOYSA-N	208.610	3.487	50	40	BGGB	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CCCl)C1	103187360	GHILDTLNENVWAR-GXFFZTMASA-N	243.778	3.043	50	40	BGGB	
ClCC1=CS[C](c2ccsc2)N1	334157828	IEPYGJZYAPQIPW-UHFFFAOYSA-N	216.738	3.002	50	40	BGGB	
N#C/C(=C/c1cccc(O)c1)c1ccc(C#N)cc1	409369177	GOABYLAMTSYZSI-NVNXTCNLSA-N	246.269	3.328	50	40	BGGB	
C[C@H](Br)c1c(F)cccc1F	57214404	JRZQOIUKCTVPSW-YFKPBYRVSA-N	221.044	3.421	50	40	BGGB	in-vitro
Cc1ccccc1C(=O)C(C)(C)CCl	306726195	YSNXMHIIYIHBKL-UHFFFAOYSA-N	210.704	3.443	50	40	BGGB	
Cc1cc(F)cc(C(=O)CCCCl)c1	86693066	CDGQBKVKFPLXCY-UHFFFAOYSA-N	214.667	3.336	50	40	BGGB	
CCOC(=O)/C(C#N)=C1/C[C@H]2CC[C@@]1(C)C2(C)C	100206688	ARVCOWFLQDTTAV-VDUCGOBYSA-N	247.338	3.216	50	40	BGGB	
CN1C(=C(C#N)C#N)Sc2ccc(Cl)cc21	34630	BVOUGEYOHZKKQA-UHFFFAOYSA-N	247.710	3.141	50	40	BGGB	
CC(=O)N(N=O)c1c(Cl)cccc1Cl	4962196	BQTHRSKVMIPKDE-UHFFFAOYSA-N	233.054	3.028	50	40	BGGB	
O=C(CCCCCl)c1cccc([N+](=O)[O-])c1	43210717	GGTSSSWOQWTQRV-UHFFFAOYSA-N	241.674	3.187	50	40	BGGB	
COc1c(Cl)cc(Cl)cc1C(=O)Cl	5660963	VEZPIKNMMOCDRD-UHFFFAOYSA-N	239.485	3.381	50	40	BGGB	
CC(C)(CCl)C(=O)c1ccc2c(c1)CCO2	382673990	IMOOXESBYSVABJ-UHFFFAOYSA-N	238.714	3.069	50	40	BGGB	
Fc1cc2nc(CCl)sc2cc1F	45236769	YZMARAHKIYSCFH-UHFFFAOYSA-N	219.643	3.313	50	40	BGGB	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](C(=O)Cl)C2	100015862	DMAJPRJLPDUPBK-LAEOZQHASA-N	200.709	3.214	50	40	BGGB	
ClCCN(CCCl)CC1CCCCC1	160273	LLQFVVYAHHDELP-UHFFFAOYSA-N	238.202	3.346	50	40	BGGB	
Cc1ccc([C@H]2CCC(C#N)=CN2C)cc1	1584631	LDKDZTPYLDXAEQ-CQSZACIVSA-N	212.296	3.169	50	40	BGGB	
Cc1ccc([C@@H]2CCC(C#N)=CN2C)cc1	5519440	LDKDZTPYLDXAEQ-AWEZNQCLSA-N	212.296	3.169	50	40	BGGB	
Cc1ccc(CCl)c(Br)c1	57939651	ZALSYZWKNVDJKZ-UHFFFAOYSA-N	219.509	3.496	50	40	BGGB	
C[C@@H](Br)CCC(=O)c1ccccc1	71621521	CRTIQYHCTSZUJN-SECBINFHSA-N	241.128	3.433	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccc(C)c(F)c1	307112031	PCIWLKZFHLEMBA-SECBINFHSA-N	214.667	3.334	50	40	BGGB	
Fc1ccc(CN=C=S)c(Br)c1	1776010906	XQLUCDLBXQBQOX-UHFFFAOYSA-N	246.104	3.191	50	40	BGGB	
Cc1c(COC(F)(F)F)ccnc1CCl	21982800	KFLADJAZOWCOGJ-UHFFFAOYSA-N	239.624	3.165	50	40	BGGB	
C=C(C)[C@@H]1CC[C@H](C)O[C@H]1CBr	517798	GOOFXTMOTGPMGS-GUBZILKMSA-N	233.149	3.141	50	40	BGGB	
COc1ccccc1/C=N/C1=C(C#N)CCC1	3132178	ZALNTFVTPWFNSP-MHWRWJLKSA-N	226.279	3.076	50	40	BGGB	
CCC[C@@H](NC(=O)[C@@H](C)Cl)c1ccccc1	3349672	LCCLCMWOMXHIQV-ZYHUDNBSSA-N	239.746	3.271	50	40	BGGB	
Fc1cccc2c(Cl)nc(CCl)nc12	604221514	GPBJJKYKGWZYBW-UHFFFAOYSA-N	231.057	3.161	50	40	BGGB	
CN(C)C[C@@H](Cl)[C@@H](Cl)c1ccccc1	1842947	IQSZGMMFZDOOAV-MNOVXSKESA-N	232.154	3.136	50	40	BGGB	
CC1=C/C(=N\O)C=C/C1=C(/C#N)c1ccccc1	17161096	USQBNZUXODUGMS-NWDJVLATSA-N	236.274	3.310	50	40	BGGB	
C[C@H](Cl)c1nc2cnccc2n1C1CC1	84148861	HBAPSBBQPOTGBG-ZETCQYMHSA-N	221.691	3.066	50	40	BGGB	
N#CC(C#N)=Cc1cc2ccccc2nc1Cl	4476327	ITJRCCQEBHEKTG-UHFFFAOYSA-N	239.665	3.319	50	40	BGGB	
Cc1cc(OCCBr)ccc1Cl	13992489	QTMOHEJWUQAGMV-UHFFFAOYSA-N	249.535	3.422	50	40	BGGB	
Cc1cc(NC(C)(C)C)ncc1CCl	72223961	LTBIZOGDDOLNMH-UHFFFAOYSA-N	212.724	3.339	50	40	BGGB	
C[C@@H](Br)c1ccc(OCCF)cc1	72226510	LKVMWTYXCWEMKY-MRVPVSSYSA-N	247.107	3.491	50	40	BGGB	
C[C@H]1CCCC/C1=N\NC(=O)c1cccc(F)c1	5920937	FIAXBBBECCFYPC-CDSOTZFASA-N	248.301	3.122	50	40	BGGB	
C[C@H](Br)c1ccc(F)cc1	57214435	PHGMUOJCQCLPBD-LURJTMIESA-N	203.054	3.282	50	40	BGGB	in-vitro
Cl[C@H]1C[C@H](Cl)[C@H](Cl)C[C@H]1Cl	100933482	WCKYEVXZTBRMIY-RJYLNQFNSA-N	221.942	3.210	50	40	BGGB	
Cc1cc(OC(=O)CCl)ccc1C(C)(C)C	1586515	FOUUQPIQOGYWBO-UHFFFAOYSA-N	240.730	3.437	50	40	BGGB	
O=C(Nc1cccc(Cl)c1)OCCl	1652304	WQWLLUJSSFPWSR-UHFFFAOYSA-N	220.055	3.085	50	40	BGGB	
FC(F)(F)[C@@H]1CC[C@@H](Br)C1	256052647	ODLVCEJXSQMGSK-RFZPGFLSSA-N	217.028	3.112	50	40	BGGB	
N#C/C(=C/c1ccoc1)c1ccc(C(=O)O)cc1	408541700	HIHDCDHTQUFQFF-QPEQYQDCSA-N	239.230	3.042	50	40	BGGB	
C=CCc1ccccc1OCCBr	36826013	WAIBTUCLMZSEOK-UHFFFAOYSA-N	241.128	3.189	50	40	BGGB	
Cc1ccc(C#CCBr)cc1C	95633605	GPVCUEYCHFYUNP-UHFFFAOYSA-N	223.113	3.050	50	40	BGGB	
CCc1ccc(-c2ccnn2CCCl)cc1	96527645	WNDZCNFZMCBPNX-UHFFFAOYSA-N	234.730	3.351	50	40	BGGB	
CC(C)(C)[Si](C)(C)OCCC1CCNCC1	196312639	VMBJKTULOCKQMJ-UHFFFAOYSA-N	243.467	3.398	50	40	BGGB	
S=C1c2ccccc2CC[C@@H]1Br	228969027	KORBLVNSVHOHNU-VIFPVBQESA-N	241.153	3.114	50	40	BGGB	
N#CC(C#N)=C/C=C(/Cl)c1ccccc1	12410300	AMXZIDAMUMHHPB-KPKJPENVSA-N	214.655	3.240	50	40	BGGB	
COc1ccc(-c2cnc(CCl)o2)cc1	26443931	LVFXLCCZKUTDGX-UHFFFAOYSA-N	223.659	3.089	50	40	BGGB	in-vitro
O=C(Cl)c1c(Cl)cnc(Cl)c1Cl	43827481	ODLHIOFZIWQERB-UHFFFAOYSA-N	244.892	3.421	50	40	BGGB	
O=C(Cl)c1cc(F)ccc1OC(F)(F)F	71867286	ZZRULKQBGZXHPC-UHFFFAOYSA-N	242.555	3.103	50	40	BGGB	
CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@@H](O)C1	217829495	CDSBXCXRCZIGQX-WDEREUQCSA-N	230.424	3.169	50	40	BGGB	
CCCCCN1C=CC=C/C1=C\C=C(C#N)C#N	4752228	VXKIUNAKLZHXAQ-OQLLNIDSSA-N	239.322	3.420	50	40	BGGB	
N#C[C@@H](Br)c1ccc(Cl)cc1	34494147	AKYZXEVLLDNHDZ-MRVPVSSYSA-N	230.492	3.300	50	40	BGGB	in-vitro
CCO[Si](CCC(C)(C)C)(OCC)OCC	169909600	DVQGJDYDHQULIU-UHFFFAOYSA-N	248.439	3.471	50	40	BGGB	
CCCC[C@H](CC)CNC(=O)CCCCl	6043090	OEPGTWXYVQAXOC-NSHDSACASA-N	233.783	3.338	50	40	BGGB	
CC(C)CCN(CCC(C)C)C(=O)CCl	3269768	KPTCQTDZEHPOQF-UHFFFAOYSA-N	233.783	3.146	50	40	BGGB	
O=Cc1ccc(-c2ccc(CCl)cn2)cc1	3883856	QLOLJTNGAJZPFL-UHFFFAOYSA-N	231.682	3.300	50	40	BGGB	
CC(C)=NNC(=O)c1ccc(Cl)cc1Cl	5382941	BFJLNVOKAFTJEV-UHFFFAOYSA-N	245.109	3.119	50	40	BGGB	
COc1ccc(C(=O)[C@H](C)Cl)c(Cl)c1	36767283	IYLQNDIZTVEDSV-LURJTMIESA-N	233.094	3.159	50	40	BGGB	
C[C@@](F)(CBr)c1ccccc1	95934695	DAYOQOXVQZVQQV-SECBINFHSA-N	217.081	3.266	50	40	BGGB	
FC(F)(F)C(F)(F)CCCOCCCl	98210571	ARLVGPWWOOJAIJ-UHFFFAOYSA-N	240.599	3.220	50	40	BGGB	
N#CC(C#N)=Cc1ccc(NCc2ccccc2)o1	405378	VOMUNZBFENGPMN-UHFFFAOYSA-N	249.273	3.322	50	40	BGGB	
O=C=Nc1cccc(SC(F)(F)F)c1	2568119	UKQVTGGTRAIGHZ-UHFFFAOYSA-N	219.187	3.266	50	40	BGGB	in-vitro
COc1ccc(C(=O)C(C)(C)CCl)c(C)c1	382676811	VGMDGFWUGKZIIP-UHFFFAOYSA-N	240.730	3.451	50	40	BGGB	
Cc1cccc(NC(=O)CCCCl)c1C	6317838	CMEHTPNQDINDGC-UHFFFAOYSA-N	225.719	3.261	50	40	BGGB	
COc1ccc(/C(C#N)=C\c2cccnc2)cc1	8615799	RQWSCDRFGHLEGJ-ZROIWOOFSA-N	236.274	3.154	50	40	BGGB	
CC(C)(CCl)C(=O)c1ccc(F)cc1	307414601	WBZOVNVAESIBNB-UHFFFAOYSA-N	214.667	3.273	50	40	BGGB	
CC1=CC(C)(C)N(C(=O)CCl)c2ccccc21	360642	BBTOCXSDAYZGJM-UHFFFAOYSA-N	249.741	3.454	50	40	BGGB	
BrCc1c[nH]c2ccccc12	37632801	BVGPANPABBVZHT-UHFFFAOYSA-N	210.074	3.063	50	40	BGGB	
C[C@@H](Br)c1c(F)cccc1F	57214406	JRZQOIUKCTVPSW-RXMQYKEDSA-N	221.044	3.421	50	40	BGGB	in-vitro
CCc1ccc(C(=O)[C@@H](Cl)CC)cc1	71423488	OLBDSCOPOSSOSE-NSHDSACASA-N	210.704	3.449	50	40	BGGB	
BrCc1cccc2scnc12	88245183	JSCFGYHMOWYNFR-UHFFFAOYSA-N	228.114	3.191	50	40	BGGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CCC=CC1=O	1772820900	GJKGJQINHYTRSM-LLVKDONJSA-N	226.392	3.296	50	40	BGGB	
Cn1cccc1/C=C(/C#N)c1ccc(F)cc1	4498553	UADFYWYIQQGCFI-XFXZXTDPSA-N	226.254	3.228	50	40	BGGB	
BrCc1ccc(-c2ccno2)cc1	118602707	GZYMLORLBCJEEJ-UHFFFAOYSA-N	238.084	3.237	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccc(OC(F)F)cc1	309320046	OXTIVAJTRUWQKZ-SECBINFHSA-N	248.656	3.488	50	40	BGGB	
C[C@H](Cl)c1nnc(-c2ccccc2)o1	4206377	ZVOVXJOIASPSOO-ZETCQYMHSA-N	208.648	3.036	50	40	BGGB	in-vitro
CC(C)N(C(=O)CCl)[C@@H](C)c1ccccc1	71777654	USDRLZFYQCKNML-NSHDSACASA-N	239.746	3.223	50	40	BGGB	
FC(F)(F)C(F)(F)[C@@H](Cl)CCl	103527191	JBMGPSNIVOTZGW-REOHCLBHSA-N	216.964	3.030	50	40	BGGB	
CC(C)(CCl)C(=O)c1cccc(F)c1F	308786682	GMAVFLRVFVHAKL-UHFFFAOYSA-N	232.657	3.413	50	40	BGGB	
CC1(C)C[C@H](Br)CC[C@@]1(C)C(=O)O	345396	FAHLSXYAXJYAQK-XCBNKYQSSA-N	249.148	3.051	50	40	BGGB	
COc1ccc(C(=O)CCl)c2ccccc12	34938832	HAYXWCFICOPAPJ-UHFFFAOYSA-N	234.682	3.270	50	40	BGGB	
ClCCOc1cccc(Br)c1	36883125	SKCZJIJRFHLPCY-UHFFFAOYSA-N	235.508	3.067	50	40	BGGB	
O=C(CCl)[C@@H]1CCC[C@H](C(F)(F)F)C1	96373625	UXNXQTHZFRDYAW-RQJHMYQMSA-N	228.641	3.163	50	40	BGGB	
Cc1cccc(C)c1CCBr	116943116	CFPQMQVLYGHEPM-UHFFFAOYSA-N	213.118	3.241	50	40	BGGB	
O=C[C@H]1CCCc2ccccc2[C@@H]1Cl	1857793515	DLHJVHUKXNPMCO-ZYHUDNBSSA-N	208.688	3.118	50	40	BGGB	
CC1=C[C@H](C)[C@H](COC(=O)CCl)[C@@H](C)C1	4844164	XFKKLFJLWBBJEM-DCAQKATOSA-N	230.735	3.007	50	40	BGGB	
CC(C)/C=C(\C#N)c1nc2ccccc2[nH]1	5726868	KATVHUFGWLWFFB-JXMROGBWSA-N	211.268	3.126	50	40	BGGB	
C[C@@H](Br)c1cc(F)ccc1F	57214468	FURLZDHKWKANLF-RXMQYKEDSA-N	221.044	3.421	50	40	BGGB	in-vitro
CCOC(=O)/C(C#N)=C1/C[C@@H]2CC[C@]1(C)C2(C)C	100739870	ARVCOWFLQDTTAV-WHZLBWOQSA-N	247.338	3.216	50	40	BGGB	
CN(C)c1ccccc1C(=O)C(C)(C)CCl	394807427	XLJDAVYMEYSQQI-UHFFFAOYSA-N	239.746	3.200	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccccc1OC(F)F	309179541	AQEQTUHFFLLICO-MRVPVSSYSA-N	248.656	3.488	50	40	BGGB	
O=C(Cl)c1c[nH]c2ccc(Cl)cc12	89203380	KUXLKSKXWWTMHV-UHFFFAOYSA-N	214.051	3.200	50	40	BGGB	
Fc1cc(Cl)cc(C#CCBr)c1	95633318	XZLKCPPKFVWNRS-UHFFFAOYSA-N	247.494	3.226	50	40	BGGB	
C=CCN(CCCl)[C@H](C)Cc1ccccc1	1671511	OYFJMAUWYKPIJD-CYBMUJFWSA-N	237.774	3.344	50	40	BGGB	
O=C(N=C=S)c1ccc(Cl)cc1Cl	2508119	ZJZCYTFTHXQBBS-UHFFFAOYSA-N	232.091	3.236	50	40	BGGB	
O=C(Cl)c1cccc2nc3ccccc3nc12	76494996	VFFOJTVGRIPGKM-UHFFFAOYSA-N	242.665	3.162	50	40	BGGB	
Fc1ccc2c(CCCCl)noc2c1	137103502	XONBKLFCLPGIPC-UHFFFAOYSA-N	213.639	3.138	50	40	BGGB	
CSc1cccc(C(=O)[C@H](C)Cl)c1	306930021	BEZLLBSCVWQDIP-ZETCQYMHSA-N	214.717	3.219	50	40	BGGB	
O=Cc1cccc(OC(F)(F)[C@H](F)Cl)c1	21982509	JSHMTEVWQBWYGH-QMMMGPOBSA-N	238.592	3.005	50	40	BGGB	
Clc1ccn2cc(C(Cl)Cl)nc2c1	100360587	AICXKVLFKZSZSP-UHFFFAOYSA-N	235.501	3.464	50	40	BGGB	
Cc1cc(C)c(C#CCBr)cc1C	95633871	IOPJKYXVPVPWBY-UHFFFAOYSA-N	237.140	3.358	50	40	BGGB	
O=C(Cl)c1cc2ccc(Cl)cc2[nH]1	199564353	SMFKAGKVIHSLJS-UHFFFAOYSA-N	214.051	3.200	50	40	BGGB	
Fc1c(Br)cccc1CN=C=S	1776010900	XAFINBHTHCTKFG-UHFFFAOYSA-N	246.104	3.191	50	40	BGGB	
O=C[C@@H]1CCCc2ccccc2[C@H]1Cl	1857793513	DLHJVHUKXNPMCO-JQWIXIFHSA-N	208.688	3.118	50	40	BGGB	
N#C/C(=C\c1ccc(Cl)cc1)c1ccno1	13096583	CSQBRWUATKOCQZ-JXMROGBWSA-N	230.654	3.392	50	40	BGGB	
Cc1ccc([C@H](C)CBr)cc1	49780956	VUQJWCGKJLXBSJ-SECBINFHSA-N	213.118	3.493	50	40	BGGB	
CCC[C@H](Br)CCBr	78976081	BMTSGRVTBHQZOB-LURJTMIESA-N	243.970	3.335	50	40	BGGB	
N#C/C(=C\c1cccnc1)c1nc2ccccc2o1	5030133	QAYJPLYGOMSMJT-XYOKQWHBSA-N	247.257	3.287	50	40	BGGB	
CC(C)(C)[Si](C)(C)OCc1csc(N)n1	197233864	YWZBIUXXDBHULO-UHFFFAOYSA-N	244.436	3.247	50	40	BGGB	in-vitro
N#C/C(=C\c1cccs1)C(=O)c1ccco1	4322768	DWSHBBQSDJXNDC-VQHVLOKHSA-N	229.260	3.131	50	40	BGGB	
O=C(CCCCl)Nc1cccc(Cl)c1	5671179	KUXORLBCGBLGRB-UHFFFAOYSA-N	232.110	3.298	50	40	BGGB	
CCCOc1cccc(CBr)c1	34961821	NFPORVUOPCEKIU-UHFFFAOYSA-N	229.117	3.370	50	40	BGGB	in-vitro
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Cl)cc1	35222662	SZHHAAUOELVQMT-NXEZZACHSA-N	239.746	3.054	50	40	BGGB	in-vitro
CC[C@H](Cl)C(=O)c1ccc(F)c(F)c1	71423613	RABATOYZBJSPQW-ZETCQYMHSA-N	218.630	3.165	50	40	BGGB	
O=C(CCCCl)c1ccccc1OC(F)F	309232335	YFQRJWPWTNQBPZ-UHFFFAOYSA-N	248.656	3.490	50	40	BGGB	
O=C(Cl)/C=C\c1cccc(C(F)(F)F)c1	32234407	HGQSKTQYEWJJRZ-PLNGDYQASA-N	234.604	3.484	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccc(F)c(C)c1	71423574	DUWROJVYIONPTF-SECBINFHSA-N	214.667	3.334	50	40	BGGB	
CC[C@@H](C)Oc1ccc(C(=O)Cl)cc1	8729582	AHCJWBVUZJZYIQ-MRVPVSSYSA-N	212.676	3.243	50	40	BGGB	
Cc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)o1	12409040	NINZZLSZLRNRDB-YFHOEESVSA-N	217.268	3.110	50	40	BGGB	
Cc1ccc(/C=C(\C#N)C(=O)C(C)C)c(C)c1	44027236	PDMYSAAXIAUMMZ-RIYZIHGNSA-N	227.307	3.436	50	40	BGGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Cl	4253043	XVWRXFFNZFVAJY-ZETCQYMHSA-N	233.094	3.181	50	40	BGGB	
ClCc1nc(Cl)cc(-c2ccco2)n1	62701752	PWMSSSUAXMUSNQ-UHFFFAOYSA-N	229.066	3.129	50	40	BGGB	
N#C/C(=C/Nc1ccc(O)cc1)c1ccccc1	100363258	BZOZJNZKJXFUQF-QBFSEMIESA-N	236.274	3.369	50	40	BGGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1ccccc1	1628737	WQDXPOZUDGGDSD-DHZHZOJOSA-N	240.218	3.252	50	40	BGGB	
COc1cc(C)cc(C)c1CBr	96526266	YUEGUYLLNQCTKW-UHFFFAOYSA-N	229.117	3.207	50	40	BGGB	
C/C(C=O)=C\c1c(O)ccc2ccccc12	40545533	HYIFQNORTQKYSO-CSKARUKUSA-N	212.248	3.148	50	40	BGGB	
Cc1cc(C)cc(CCBr)c1	60712413	LAMNDTNTWLXQQP-UHFFFAOYSA-N	213.118	3.241	50	40	BGGB	
Fc1ccc2nc(CBr)ccc2c1	66055135	UGPQPVWABPCSIP-UHFFFAOYSA-N	240.075	3.269	50	40	BGGB	
Clc1ccc2[nH]c(CBr)nc2c1	238533737	IGYHJEFRSCLLOY-UHFFFAOYSA-N	245.507	3.111	50	40	BGGB	
Cl/C=C(\Cl)CSCCCl	16991234	ATIWGYQFPDKMMX-HYXAFXHYSA-N	205.537	3.277	50	40	BGGB	
Fc1cccc(Br)c1N=C=S	75899621	LCAYGHYSTSUSIJ-UHFFFAOYSA-N	232.077	3.323	50	40	BGGB	
Cc1c(C)n(C(=O)CCl)c2ccccc12	308562	ATOQMVQNVWIOOR-UHFFFAOYSA-N	221.687	3.137	50	40	BGGB	
CCCCc1ccc(C(=O)CCl)cc1	4200295	GLTJDNFNBNXTFM-UHFFFAOYSA-N	210.704	3.451	50	40	BGGB	in-vitro
O=C(Cl)c1c2c(nc3ccccc13)CCCC2	37637172	KOCOKGYSLRTMKF-UHFFFAOYSA-N	245.709	3.493	50	40	BGGB	
O=C(CCl)c1cccc2ccccc12	20136103	VYOLNYSIZIEAOP-UHFFFAOYSA-N	204.656	3.261	50	40	BGGB	
N#C/C(=C/c1ccoc1)c1ccccc1F	33696651	IQSJCDVMFVFZPG-XFFZJAGNSA-N	213.211	3.483	50	40	BGGB	
CCC[C@@](C)(Br)CBr	102125947	JNWPBSNRFLWBNI-ZCFIWIBFSA-N	243.970	3.335	50	40	BGGB	
Cl[C@H]1[C@@H]2[C@H](Cl)C=C[C@H](Cl)[C@@H]2[C@H]1Cl	104043526	OWAYRJCKLCVBJA-CBUHOJLWSA-N	245.964	3.232	50	40	BGGB	
C[C@]1(C(Cl)Cl)C(=O)C=Cc2ccccc21	2044572	GMFHLSDOUSBYTK-GFCCVEGCSA-N	241.117	3.344	50	40	BGGB	
C[C@@H](Br)CCc1ccccc1	57214428	BVPCLVMIRNEUBW-SECBINFHSA-N	213.118	3.403	50	40	BGGB	in-vitro
CCCCCC[C@]1(C)OC[C@H](CCl)O1	1676843	AMTFVXCQVSYQLD-WDEREUQCSA-N	220.740	3.327	50	40	BGGB	
COc1ccc(-c2oncc2CCl)cc1	409422836	KNTRQZGTOKDGLX-UHFFFAOYSA-N	223.659	3.089	50	40	BGGB	
ClCc1nc(Cc2cccc(Cl)c2)no1	36925388	PEEXHHSIMPHCQR-UHFFFAOYSA-N	243.093	3.053	50	40	BGGB	in-vitro
N#C[C@H]1[C@@H]2C=C[C@H]1[C@@H](Cl)c1ccccc12	43761904	ISCVLTPNIFSFPS-XEZLXBQYSA-N	215.683	3.389	50	40	BGGB	
C[C@@H](Br)c1ccc(F)cc1	57214437	PHGMUOJCQCLPBD-ZCFIWIBFSA-N	203.054	3.282	50	40	BGGB	in-vitro
O=C(Cl)c1ccccc1SC(F)F	2382192	NIDOHIKAMXAESY-UHFFFAOYSA-N	222.643	3.380	50	40	BGGB	
CCCC[C@H](CCl)OCCOCCCl	5421255	QQNBUWRDBLUESM-SNVBAGLBSA-N	243.174	3.056	50	40	BGGB	
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCl	37654144	SNTJAMYDIOVCFP-QMMMGPOBSA-N	246.137	3.098	50	40	BGGB	
C[C@@H](c1ccccc1)N1CC[C@H](CCl)C1	34152867	IFARNTRSDZVQOX-NWDGAFQWSA-N	223.747	3.308	50	40	BGGB	
O=C(Cl)N1CCC(Cc2ccccc2)CC1	62466344	LDNVHKQYAWVPKB-UHFFFAOYSA-N	237.730	3.300	50	40	BGGB	
COc1c(F)cccc1C(=O)CCCCl	382722879	OKZHCLQMIHXRHG-UHFFFAOYSA-N	230.666	3.036	50	40	BGGB	
CC(C)Oc1ccc(NC(=O)CCCl)cc1	3163469	BYKOSZHFXGAOGV-UHFFFAOYSA-N	241.718	3.041	50	40	BGGB	
Cc1cccc(O[C@@H](C)CBr)c1C	41288078	CXGKSUCTMOEPOX-VIFPVBQESA-N	243.144	3.466	50	40	BGGB	
COc1cc(C(=O)[C@@H](C)Cl)ccc1Cl	238333047	IKTNMFWORWNEEY-ZCFIWIBFSA-N	233.094	3.159	50	40	BGGB	
Cc1ccc(C(=O)[C@H](C)Cl)c(Cl)c1	238423693	AQXRXXDNPCJRPH-ZETCQYMHSA-N	217.095	3.458	50	40	BGGB	
CN1/C(=C\C(=O)CCl)C(C)(C)c2ccccc21	32626635	BRXMHAHJRYVVSM-JYRVWZFOSA-N	249.741	3.106	50	40	BGGB	
O=C(CCl)Cc1ccc(Cl)c(Cl)c1	33466341	BVWOIDPXXWNJBA-UHFFFAOYSA-N	237.513	3.344	50	40	BGGB	
Fc1ccc(-c2nc(CCl)co2)cc1F	37933924	RHRWTBORHGIPTG-UHFFFAOYSA-N	229.613	3.359	50	40	BGGB	in-vitro
N#CC(C#N)=C1CCCOc2cc(Cl)ccc21	5770901	NXPMAIFZOJEYFO-UHFFFAOYSA-N	244.681	3.313	50	40	BGGB	
FC(F)(F)COc1cccc(CCl)c1	21008390	SAHRVKVOGMEDCX-UHFFFAOYSA-N	224.609	3.367	50	40	BGGB	
CCc1ccc(CCCC(=O)Cl)cc1	11631067	ALXOCWLDKXOGRX-UHFFFAOYSA-N	210.704	3.337	50	40	BGGB	
N#C[C@@H]1[C@@H]2C=C[C@H]1c1ccccc1[C@@H]2Cl	43761903	ISCVLTPNIFSFPS-BQUFFADESA-N	215.683	3.389	50	40	BGGB	
O=C1C[C@](Cl)(CS(F)(F)(F)(F)F)O1	104221526	AYTPHQVVNFXTCM-SCSAIBSYSA-N	246.584	3.167	50	40	BGGB	
Cc1cc(C(=O)CCl)c(C)n1C(C)C	3375020	NAGJNVGLKPVFTG-UHFFFAOYSA-N	213.708	3.107	50	40	BGGB	in-vitro
CCCCNC(=O)NNc1c(C)cc(C)cc1C	6051077	KVWSBGAKRYVDRJ-UHFFFAOYSA-N	249.358	3.038	50	40	BGGB	
CC(=O)N(C)/N=N/c1ccc(C(F)(F)F)cc1	18029180	KYUBXSWIFMKRTH-CCEZHUSRSA-N	245.204	3.182	50	40	BGGB	
Cc1cc(Cl)ccc1C(=O)CBr	82553821	GIMQNZJUOIFCQB-UHFFFAOYSA-N	247.519	3.226	50	40	BGGB	
O=C(CCl)CC12CC3CC(CC(C3)C1)C2	4488451	QPVCZVHBGHYCAS-UHFFFAOYSA-N	226.747	3.401	50	40	BGGB	in-vitro
C=C(C)[C@@H]1CC[C@H](C)O[C@@H]1CBr	12654097	GOOFXTMOTGPMGS-LPEHRKFASA-N	233.149	3.141	50	40	BGGB	
ClCc1cncn1Cc1ccc(Cl)cc1	59979999	UXGXQJIMIKGRBC-UHFFFAOYSA-N	241.121	3.324	50	40	BGGB	
Cl[C@H]1C[C@H](Cl)[C@H](Cl)C[C@@H]1Cl	100933480	WCKYEVXZTBRMIY-OMMKOOBNSA-N	221.942	3.210	50	40	BGGB	
CCCCCCSSCC(=O)OC	1682935	WKYHARGCJACVFH-UHFFFAOYSA-N	222.375	3.121	50	40	BGGB	
Cc1ccccc1C(=O)NN=C1CCCCC1	5509177	AYONCSACKWHLHX-UHFFFAOYSA-N	230.311	3.045	50	40	BGGB	
CC(C)(C)C1C[C@H](Cl)C(=O)[C@H](Cl)C1	1725771	YMUAIEVPXWTMPQ-IEESLHIDSA-N	223.143	3.226	50	40	BGGB	
O=C(Cl)C1(c2ccccc2F)CCC1	11886261	LEFUAAFYOBMZSP-UHFFFAOYSA-N	212.651	3.013	50	40	BGGB	in-vitro
CCc1cccc(CC)c1NC(=O)[C@@H](C)Cl	19509559	FWQFMHNCEVNNTB-SECBINFHSA-N	239.746	3.377	50	40	BGGB	in-vitro
C/C(=N\NC(=O)Nc1ccccc1)C(C)(C)C	59498156	BGJGDZIZEAGXHZ-XNTDXEJSSA-N	233.315	3.230	50	40	BGGB	
C[C@H](Br)CC[C@@H](C)Br	100027668	MQYLGFBWOZXHHF-OLQVQODUSA-N	243.970	3.333	50	40	BGGB	
O=C(c1c[nH]c2ccccc12)C(Cl)Cl	100078705	LHQDRRBUIRWCLJ-UHFFFAOYSA-N	228.078	3.154	50	40	BGGB	
CCN(CCCl)Cc1ccccc1C	2001663	XHRCFGDFESIFRG-UHFFFAOYSA-N	211.736	3.056	50	40	BGGB	
CCCCCCCCOC(=O)CC(=O)CCl	2539712	QVBGSRKQOYZMLR-UHFFFAOYSA-N	248.750	3.088	50	40	BGGB	
C[C@@H](Cl)C(=O)c1ccc(OC(F)F)cc1	308792998	DXQHCNKKESGQFW-ZCFIWIBFSA-N	234.629	3.098	50	40	BGGB	
COc1ccc(/C(C#N)=C/c2ccccn2)cc1	4707500	CJMIMAFVXQSAKG-JLHYYAGUSA-N	236.274	3.154	50	40	BGGB	in-vitro
ClCc1nc(Cl)cc(C2CCC2)n1	62701329	KZRJSHRNWXUTMQ-UHFFFAOYSA-N	217.099	3.136	50	40	BGGB	
Fc1ccc(-c2cn(CCl)cn2)c(F)c1	199738372	GMHLYZRJUOIOGW-UHFFFAOYSA-N	228.629	3.025	50	40	BGGB	
O=C(CCl)c1nc2c(Cl)cccc2s1	228962195	GIIMQPGJCMBURV-UHFFFAOYSA-N	246.118	3.371	50	40	BGGB	
CCOC(=O)/C(C#N)=C(/C)CCc1ccccc1	1600385	VJFAFMBOWHDXHU-OWBHPGMISA-N	243.306	3.022	50	40	BGGB	
CC(C)NC(=O)N(Nc1ccccc1)C(C)(C)C	1650759	KTVGZQRIENFRKT-UHFFFAOYSA-N	249.358	3.232	50	40	BGGB	
ClCCCCCn1cnc2ccccc21	2577964	ISMCOTCAMIPISN-UHFFFAOYSA-N	222.719	3.445	50	40	BGGB	
Cc1cc(C)c(C(=O)[C@H](C)Cl)c(C)c1	19396544	AGVRPCZMKHMBNL-JTQLQIEISA-N	210.704	3.422	50	40	BGGB	
COc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1	35262853	OGLVYRPWGYOFAJ-XFXZXTDPSA-N	243.306	3.217	50	40	BGGB	
FC(F)(F)C[C@@H](Cl)C(F)(F)Cl	71790229	FTPHAWKOBMZSCZ-UWTATZPHSA-N	216.964	3.378	50	40	BGGB	in-vitro
COc1ccc2ccccc2c1C=C(C#N)C#N	3191763	IGOKMWRNDCSMGV-UHFFFAOYSA-N	234.258	3.279	50	40	BGGB	
O=C/C=C/c1ccc(Cl)cc1Cl	3190887	XTFADZFHEYPMHK-OWOJBTEDSA-N	201.052	3.206	50	40	BGGB	
N#CC(C#N)=C/C=C(\Cl)c1ccc(F)cc1	2556128	CWZOUOJJFKFVJA-SDQBBNPISA-N	232.645	3.379	50	40	BGGB	
C[C@H](Cl)C(=O)c1ccc(Br)cc1	3337369	XWLIUMZBOPOTCS-LURJTMIESA-N	247.519	3.259	50	40	BGGB	
Cc1ccc2ncc(CBr)cc2c1	72226743	GATNITRWNKEPIU-UHFFFAOYSA-N	236.112	3.438	50	40	BGGB	
C[C@]12CC[C@@H](CC1=N)[C@@]2(C)CBr	100834756	NFNOHWOCHNGOBM-UJNFCWOMSA-N	230.149	3.227	50	40	BGGB	
COc1ccc(C(=O)C(C)(C)CCl)cc1F	382675951	QYPBTTOTCMKTEG-UHFFFAOYSA-N	244.693	3.282	50	40	BGGB	
CC(C)(C)[C@@H]1CCc2[nH]nc(CCl)c2C1	397004259	QLIRESZDJOQHLL-MRVPVSSYSA-N	226.751	3.300	50	40	BGGB	
COc1cc(C)c(OC)c(CCl)c1C	1673651	KZYXGKLCMQXISZ-UHFFFAOYSA-N	214.692	3.059	50	40	BGGB	
CC[C@H](C)Oc1ccc(C(=O)Cl)cc1	8729583	AHCJWBVUZJZYIQ-QMMMGPOBSA-N	212.676	3.243	50	40	BGGB	
N#C/C(=C/c1ccoc1)c1cccc(F)c1	409393318	QDVMINVSIDHADF-SDQBBNPISA-N	213.211	3.483	50	40	BGGB	
Cc1ccccc1NC(=O)C(C#N)=C1CCCC1	5549173	XCAHUSSTCZWUNR-UHFFFAOYSA-N	240.306	3.328	50	40	BGGB	
ClCCc1nc(-c2ccccc2Cl)no1	8729342	CPRQIQWGQZFEKC-UHFFFAOYSA-N	243.093	3.171	50	40	BGGB	
Cn1cccc1/C=C(\C#N)c1ccc(F)cc1	12483520	UADFYWYIQQGCFI-FMIVXFBMSA-N	226.254	3.228	50	40	BGGB	
Cc1nc(C(F)(F)F)c(CCl)s1	16363290	GRRDOOGTCFIIHZ-UHFFFAOYSA-N	215.627	3.209	50	40	BGGB	in-vitro
CCCC/C(C)=N/NC(=O)NC1CCCCC1	6995409	WURUOAOCPHFFTM-RVDMUPIBSA-N	239.363	3.184	50	40	BGGB	
O=C(CCl)c1cc2cc[nH]c2cc1OCl	40448524	OBXUTNQIPGPRKX-UHFFFAOYSA-N	244.077	3.122	50	40	BGGB	
ClCc1cncn1Cc1cccc(Cl)c1	59980085	NQHXMRUTBHBIKQ-UHFFFAOYSA-N	241.121	3.324	50	40	BGGB	
Cc1ccc(S(=O)(=O)SC(C)(C)C)cc1	1579490	DWUPUYSPVAQOBQ-UHFFFAOYSA-N	244.381	3.215	50	40	BGGB	
O=C[C@H](Cl)Cc1ccc(C(F)(F)F)cc1	36205292	SMEWGPBLKUOLEA-SECBINFHSA-N	236.620	3.054	50	40	BGGB	
O=C1CC[C@H](c2ccccc2)C[C@H]1Cl	55345759	ZMCRXOQTWSQMDG-WDEREUQCSA-N	208.688	3.131	50	40	BGGB	
C[C@H](Br)CCC(=O)c1ccccc1	71621518	CRTIQYHCTSZUJN-VIFPVBQESA-N	241.128	3.433	50	40	BGGB	
CC(C)(C)Oc1ccc(C#CCCl)cc1	95631445	AIVVXBOOFPZBJI-UHFFFAOYSA-N	222.715	3.454	50	40	BGGB	
Cc1cc2c(cc1C)[C@@H](Cl)N[C@H](Cl)N2	100183634	LEBBEVDINUHSNX-VHSXEESVSA-N	231.126	3.078	50	40	BGGB	
C/C(C=O)=C\c1c[nH]c2cc(Cl)ccc12	228920092	KOROLCQRGHYKAK-XBXARRHUSA-N	219.671	3.424	50	40	BGGB	
Cc1cc(F)cc(C)c1CBr	2509690	HYFDMAKFLLWGOK-UHFFFAOYSA-N	217.081	3.337	50	40	BGGB	in-vitro
S=C=Nc1cc(Cl)cnc1Br	238509936	JZLNEQYIDILVAZ-UHFFFAOYSA-N	249.520	3.232	50	40	BGGB	
Cc1cc(C)c([C@@H](C)NC(=O)CCl)cc1C	4200306	KSHQLJZWJYBUDH-LLVKDONJSA-N	239.746	3.028	50	40	BGGB	
CCC1CCC(=NNC(=O)OC(C)(C)C)CC1	4933589	KDOVAEKVNOYUPM-UHFFFAOYSA-N	240.347	3.467	50	40	BGGB	
N#CC1=CCCc2cc(Br)ccc21	78413098	ZLWXBVISDHXFMN-UHFFFAOYSA-N	234.096	3.302	50	40	BGGB	
CC(C)(C)[C@H](Br)CBr	2032225	WNIGXZWEUAJOHE-RXMQYKEDSA-N	243.970	3.191	50	40	BGGB	
Cc1cc(C(=O)Cl)c(Cl)cc1F	34511907	RSAWWHCLCPNUBK-UHFFFAOYSA-N	207.031	3.167	50	40	BGGB	
N#C/C=C(/Nc1ccccc1)C(F)(F)F	34623060	XEVSPOHOCHNROA-RMKNXTFCSA-N	212.174	3.068	50	40	BGGB	
Cc1c(F)cccc1C(=O)CCCCl	382706257	TUTSLFZSYORHKC-UHFFFAOYSA-N	214.667	3.336	50	40	BGGB	
CCn1c(CCCl)nc2cc(C)c(C)cc21	225297097	SIRVJPLCZZALEQ-UHFFFAOYSA-N	236.746	3.454	50	40	BGGB	
COc1cc(F)ccc1C(=O)C(C)(C)CCl	382682844	CHOFSCPKSXGTMM-UHFFFAOYSA-N	244.693	3.282	50	40	BGGB	
CCc1cc(C(=O)Cl)c2cc(C)ccc2n1	685937660	WPZYTDNGXKSMPB-UHFFFAOYSA-N	233.698	3.485	50	40	BGGB	
CCCOc1cc(C(=O)Cl)cc(F)c1F	95739779	BUJURYWIJPNIJI-UHFFFAOYSA-N	234.629	3.133	50	40	BGGB	
COc1ccccc1[C@@]1(O)CCCC[C@H]1Cl	1615126	KJCNELHODXELHT-OLZOCXBDSA-N	240.730	3.064	50	40	BGGB	
C=CCOP(c1ccccc1)c1ccccc1	1731048	PGTFBKVPHNHWSX-UHFFFAOYSA-N	242.258	3.237	50	40	BGGB	
CCN(CC)P(=O)(CCl)N(CC)CC	3175613	LAUCCNZWOVWARM-UHFFFAOYSA-N	240.715	3.059	50	40	BGGB	
CCCn1cc(C(=O)CCl)c2ccccc21	10007534	JKTFMCPAYPDOLP-UHFFFAOYSA-N	235.714	3.473	50	40	BGGB	
C[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)OCCCCCl	5530775	UGTUWIDPBVGBTD-WISYIIOYSA-N	242.746	3.007	50	40	BGGB	
ClCc1ccc(Cl)nc1CCl	78036727	XQMVICDINIHBII-UHFFFAOYSA-N	210.491	3.213	50	40	BGGB	
S=C1SSC(=S)SS1	4537801	DBRDVGHMKWLZMJ-UHFFFAOYSA-N	216.424	3.333	50	40	BGGB	
COC1CCC(/C(C#N)=C\c2ccco2)CC1	8642170	MGFYKTUOGMACOL-XFXZXTDPSA-N	231.295	3.392	50	40	BGGB	
CN(C)/C=C(\C=O)c1c(Cl)cccc1Cl	29763699	WLOYCTPIOMZSHG-SOFGYWHQSA-N	244.121	3.095	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cc(F)c(OC)cc1F	309194551	RSBFAOHAXPWCMG-SSDOTTSWSA-N	248.656	3.174	50	40	BGGB	
CCCN1CCCC[C@@H]1CCBr	84199135	FRGGHEJVARMBJG-SNVBAGLBSA-N	234.181	3.036	50	40	BGGB	
O=C(CCCCCBr)C(F)(F)F	90627739	MAIKVCCDZVUYAQ-UHFFFAOYSA-N	247.054	3.073	50	40	BGGB	
CC1(C)[C@@H](C(Cl)Cl)CC[C@]1(C)C(=O)O	107108453	XXAHLJCEUPJYHD-LHLIQPBNSA-N	239.142	3.317	50	40	BGGB	
N#C[C@@H](Cl)c1ccc(F)c(Br)c1	45626797	AORXCAODUFPAHK-SSDOTTSWSA-N	248.482	3.392	50	40	BGGB	
N#C[C@H]1[C@@H]2C=C[C@@H]1[C@@H](Cl)c1ccccc12	101046427	ISCVLTPNIFSFPS-IXOXFDKPSA-N	215.683	3.389	50	40	BGGB	
C[C@]12C[C@@H]3C[C@H](C1)C[C@@]([C@H](Cl)C(=O)O)(C3)C2	242723070	YCYQNZBVYNGARM-IFHCSVGRSA-N	242.746	3.285	50	40	BGGB	
CC(C)(CCl)C(=O)c1ccc(F)cc1F	395116903	RJRHXSUVGWADBR-UHFFFAOYSA-N	232.657	3.413	50	40	BGGB	
Cc1nc(C(C)(C)C)cc(C(=O)Cl)c1C	685937311	NFGUSPUQBIZUKU-UHFFFAOYSA-N	225.719	3.375	50	40	BGGB	
CC(C)(C(=O)Cl)c1ccc(Cl)cc1	11884039	NDBFWVKQRKSULE-UHFFFAOYSA-N	217.095	3.383	50	40	BGGB	
FC(F)(F)[C@H]1CC[C@H](Br)C1	256052649	ODLVCEJXSQMGSK-WHFBIAKZSA-N	217.028	3.112	50	40	BGGB	
C[Si](C)(C)Oc1ccc([Si](C)(C)C)cc1	195761013	DJGHSVVFQCJHIP-UHFFFAOYSA-N	238.479	3.446	50	40	BGGB	
CC(C)Oc1ccccc1OC(=O)Cl	1719907	LCZRGRFZVSOZLO-UHFFFAOYSA-N	214.648	3.211	50	40	BGGB	
N#C/C(=C\c1ccncc1)c1nc2ccccc2o1	5120377	PETCYNWSANCIPY-FMIVXFBMSA-N	247.257	3.287	50	40	BGGB	
FC(F)COc1cccc(CCl)c1	37756191	UNXQLKQPTHUEEE-UHFFFAOYSA-N	206.619	3.069	50	40	BGGB	
Clc1cccc(C#CCBr)c1	95631777	FFGCCPPFXSTWKZ-UHFFFAOYSA-N	229.504	3.086	50	40	BGGB	in-vitro
O=C(CCl)[C@H]1CCC[C@H](C(F)(F)F)C1	96373624	UXNXQTHZFRDYAW-BQBZGAKWSA-N	228.641	3.163	50	40	BGGB	
CC[C@@H](C)Oc1ccccc1C=C(C#N)C#N	4656014	NJMWAYHAICEFIJ-LLVKDONJSA-N	226.279	3.294	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccc(F)cc1	34560144	KVAOBHMRJUWQEC-SECBINFHSA-N	200.640	3.026	50	40	BGGB	
Fc1cccc2cc(CBr)cnc12	527420349	FARZQJMZERBFEF-UHFFFAOYSA-N	240.075	3.269	50	40	BGGB	
CC(C)OP(c1ccccc1)c1ccccc1	1874223	QCASTONPZLJEOJ-UHFFFAOYSA-N	244.274	3.459	50	40	BGGB	
Cc1cc(OC(F)(F)F)cc(C(=O)Cl)c1	38529736	CCKDSMKGHHIBFA-UHFFFAOYSA-N	238.592	3.273	50	40	BGGB	
CCC(CC)=NNC(=O)[C@H]1C[C@H]1c1ccccc1	370036	JLUSZRIOVPMCCO-KBPBESRZSA-N	244.338	3.082	50	40	BGGB	
O=C(Cl)Cc1ccc(Cl)c(Cl)c1	2574151	CJJURHKDGQSBLE-UHFFFAOYSA-N	223.486	3.301	50	40	BGGB	in-vitro
O=C(Oc1ccccc1Cl)C(Cl)Cl	1685834	YMRPILXLBZYOLF-UHFFFAOYSA-N	239.485	3.049	50	40	BGGB	
Cc1ccc(Cl)cc1C(=O)[C@H](C)Cl	238422277	SBXLSMGVIHXQEN-ZETCQYMHSA-N	217.095	3.458	50	40	BGGB	
O=C(CCl)c1cc(Cl)c(Cl)s1	165457	OUAXIWPMWPAZMA-UHFFFAOYSA-N	229.515	3.476	50	40	BGGB	
O=c1cc(CCl)c2cc3c(cc2o1)CCCC3	534664	AGZIJOCDAWDYIW-UHFFFAOYSA-N	248.709	3.411	50	40	BGGB	biogenic
CCN(C(=O)CCCCl)c1ccccc1	20204196	STVAINQSYAFWND-UHFFFAOYSA-N	225.719	3.059	50	40	BGGB	
CCCCC(=O)[C@H](Br)CCC	44960037	XNHZLGIYTMXPSA-MRVPVSSYSA-N	221.138	3.309	50	40	BGGB	
Cc1ccc(F)c(NC(=O)CCCCl)c1	70124844	RZAHEMYQEUXXLB-UHFFFAOYSA-N	229.682	3.092	50	40	BGGB	
C[C@H]1CCC/C(=N/NC(=O)C2CCCCC2)C1	511061	AFDPISFVPQLOOT-YLCNQMKUSA-N	236.359	3.249	50	40	BGGB	
COC(=O)O[C@H](Cl)c1ccccc1Cl	3080899	CIGQPTJHJSGVPF-QMMMGPOBSA-N	235.066	3.360	50	40	BGGB	
Cc1ccc2c(CCBr)c[nH]c2c1	77596412	YQIUUKNIZDZRPV-UHFFFAOYSA-N	238.128	3.414	50	40	BGGB	
C[C@@H](Cl)C(=O)c1ccc(F)cc1Cl	238426735	JNJVEJORUPKNAM-RXMQYKEDSA-N	221.058	3.289	50	40	BGGB	
N#C/C(=C/c1ccco1)c1cccc(C#N)c1	16970369	KCSQJPSVVLRPGD-JYRVWZFOSA-N	220.231	3.215	50	40	BGGB	
O=C(CCCCBr)c1cccs1	382709546	WVJOGZYYXCUGKG-UHFFFAOYSA-N	247.157	3.496	50	40	BGGB	
O=C(Cl)C1[C@H]2c3cccc4cccc(c34)[C@@H]12	3080936	WGKLVCLRTYFFEQ-FUNVUKJBSA-N	228.678	3.416	50	40	BGGB	
CCCCOc1ccccc1C(=O)Cl	34768917	BDPARNTXGNJTCC-UHFFFAOYSA-N	212.676	3.245	50	40	BGGB	
CC[C@@H](Br)C(=O)c1ccc(C)cc1	57665938	NUCDUAQZYSEFOD-SNVBAGLBSA-N	241.128	3.351	50	40	BGGB	
CC(C)(C)C(Br)Br	100179985	BQZKNPPVHYOJLR-UHFFFAOYSA-N	229.943	3.148	50	40	BGGB	
Cc1cc(C(=O)[C@@H](C)Cl)ccc1Cl	31893212	HSKMVKYCWNNJJO-SSDOTTSWSA-N	217.095	3.458	50	40	BGGB	
ClCCN1COc2ccc3ccccc3c2C1	1719319	JKWXFTDGPAOJEY-UHFFFAOYSA-N	247.725	3.231	50	40	BGGB	
O=C1CC[C@@H](c2ccccc2)C[C@@H]1Cl	55345761	ZMCRXOQTWSQMDG-MNOVXSKESA-N	208.688	3.131	50	40	BGGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Cl	4976999	VNMCKLVHDJADEB-GMTAPVOTSA-N	232.751	3.229	50	40	BGGB	
O=C(Cl)C1(c2ccc(F)cc2)CCC1	32267619	FFILXXMYJSVZPZ-UHFFFAOYSA-N	212.651	3.013	50	40	BGGB	
CCCCOc1ccc(C=C(C#N)C#N)cc1	2843514	RWJWOHXILPKQQQ-UHFFFAOYSA-N	226.279	3.296	50	40	BGGB	
Cc1ccc(C(=O)CCl)cc1Cl	39055325	NYEUVGXXAXOBAU-UHFFFAOYSA-N	203.068	3.070	50	40	BGGB	
Cc1ccc(CCBr)cc1F	82955088	HPNORIPGJNVXTB-UHFFFAOYSA-N	217.081	3.072	50	40	BGGB	
BrCCCCCCN1CCCCC1	144939759	QDCRZAJOJKQJRM-UHFFFAOYSA-N	248.208	3.428	50	40	BGGB	
Cc1ccc(C(=O)[C@H](C)Cl)cc1Cl	238423590	AMVPMPIEDRISSB-ZETCQYMHSA-N	217.095	3.458	50	40	BGGB	
N#C/C(=C\NNc1ccccc1)c1ccccc1	13405792	ODOGSVNMJOREQY-WYMLVPIESA-N	235.290	3.168	50	40	BGGB	
ClCCn1nccc1-c1ccccc1Cl	96527651	JEMBBLDJPLAGPN-UHFFFAOYSA-N	241.121	3.442	50	40	BGGB	
OCCCCS(F)(F)(F)(F)F	169806432	IFEQHPWERNISRR-UHFFFAOYSA-N	200.172	3.057	50	40	BGGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CC=CC(=O)C1	195870315	LGSMHNRGYIVLGA-LLVKDONJSA-N	226.392	3.296	50	40	BGGB	
CC(C)C(=O)N/N=C\c1ccc(C(C)(C)C)cc1	36239678	BWQBYLUSEZSEJK-YBEGLDIGSA-N	246.354	3.090	50	40	BGGB	
CC[C@H](Cl)C(=O)c1ccc(F)cc1C	306968679	HZXDHMIEZWECET-JTQLQIEISA-N	214.667	3.334	50	40	BGGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1CCC(C)C	3166228	NXWNDXGJWKADGF-UHFFFAOYSA-N	241.338	3.499	50	40	BGGB	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)CCl)c1	32102746	PRNDNQBSOUVLRC-QMMMGPOBSA-N	247.121	3.224	50	40	BGGB	
CCc1cc(C(=O)Cl)c2ccccc2n1	685936851	CLFOFMRIEBLCFO-UHFFFAOYSA-N	219.671	3.176	50	40	BGGB	
CCOc1ccc(C(=O)Cl)cc1Cl	5653812	GZKVJZXJNMWZMK-UHFFFAOYSA-N	219.067	3.118	50	40	BGGB	
Oc1cccc(C(F)(F)F)c1CCl	91252067	YSDPRMUCAJVXJA-UHFFFAOYSA-N	210.582	3.150	50	40	BGGB	
C/C(C=O)=C\CO[Si](C)(C)C(C)(C)C	195942614	NJBSCVOCUDEUBA-JXMROGBWSA-N	214.381	3.153	50	40	BGGB	
N#CC(C#N)=Cc1sc(Cl)cc1Cl	50565	NELLRAVPZHVSNQ-UHFFFAOYSA-N	229.091	3.485	50	40	BGGB	
CCOC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	314287	TZDDDADGOBQFAK-NTEUORMPSA-N	243.306	3.280	50	40	BGGB	
N#Cc1ccccc1C(=O)CCCCCl	308813766	TXOVBVKHWKHPEU-UHFFFAOYSA-N	221.687	3.150	50	40	BGGB	
C[C@@H](Cl)c1nnc(-c2ccccc2)o1	4206379	ZVOVXJOIASPSOO-SSDOTTSWSA-N	208.648	3.036	50	40	BGGB	in-vitro
O=C(Cl)c1ccc(-c2ccco2)s1	12370355	MXCYGPNMXBWQEJ-UHFFFAOYSA-N	212.657	3.387	50	40	BGGB	
ClCCCOc1ccccc1Br	19433455	LIXYXHHAKCIOIB-UHFFFAOYSA-N	249.535	3.457	50	40	BGGB	
COC1CCC(/C(C#N)=C/c2ccco2)CC1	1735538	MGFYKTUOGMACOL-FMIVXFBMSA-N	231.295	3.392	50	40	BGGB	
Cc1cccc(Cl)c1C(=O)[C@@H](C)Cl	238424713	LVDGZZDRWYRGGW-SSDOTTSWSA-N	217.095	3.458	50	40	BGGB	
C[C@H](Cl)C(=O)c1cccc(OC(F)F)c1	308786854	GQDIGMRWGKNASN-LURJTMIESA-N	234.629	3.098	50	40	BGGB	
CCCCCCCC(=O)NNCc1ccccc1	1696164	SIWVQFKPJHWFMI-UHFFFAOYSA-N	248.370	3.168	50	40	BGGB	
CCN(CCCl)CC1CCCCC1	1718316	PPIZFLOCKVEZSE-UHFFFAOYSA-N	203.757	3.127	50	40	BGGB	
CC(C)COc1ccccc1C(=O)Cl	39057468	RTDXOJZMHLNYBJ-UHFFFAOYSA-N	212.676	3.100	50	40	BGGB	
Clc1cc(Cl)c(CBr)cn1	95883622	XMJSMIPWODFNAI-UHFFFAOYSA-N	240.915	3.283	50	40	BGGB	in-vitro
CC(C)C(CN)(CCBr)C(C)C	1654099	NRXNNCPEEBZESF-UHFFFAOYSA-N	236.197	3.029	50	40	BGGB	
ClCc1ccc(OCc2ccncc2)cc1	21519271	KIAJOIHNMNZOQU-UHFFFAOYSA-N	233.698	3.399	50	40	BGGB	in-vitro
CCCCC(=O)[C@@H](Br)CCC	44960038	XNHZLGIYTMXPSA-QMMMGPOBSA-N	221.138	3.309	50	40	BGGB	
CC1(C)[C@H]2CC[C@]1(CBr)/C(=N/O)C2	6782560	IKYHIBYXYZZBBB-XWPFQUFSSA-N	246.148	3.038	50	40	BGGB	
ClCCCc1nc2cc(Cl)ccc2[nH]1	20368487	NNIZVAFZDZPAGV-UHFFFAOYSA-N	229.110	3.388	50	40	BGGB	
C=C(CBr)c1ccc(F)cc1F	65735003	VEHMGPJUOWKYRJ-UHFFFAOYSA-N	233.055	3.373	50	40	BGGB	in-vitro
C=C[C@@H](Cl)CCOCC[C@@H](Cl)C=C	1687038	DFDZFIOAMJPBEY-AOOOYVTPSA-N	223.143	3.370	50	40	BGGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Cl	2559927	XVWRXFFNZFVAJY-SSDOTTSWSA-N	233.094	3.181	50	40	BGGB	
CC(C)=CCC/C(C)=C/COC(=O)CCl	1686285	RDCBQKNHTPJDJX-YRNVUSSQSA-N	230.735	3.461	50	40	BGGB	
Cc1ccc(C(=O)Cl)c(C(F)(F)F)c1	2382306	TVKAVYJCEPBETE-UHFFFAOYSA-N	222.593	3.393	50	40	BGGB	
COc1c(F)cc(F)cc1C(=O)CCCCl	382675983	RCNPCOKXWLMSMK-UHFFFAOYSA-N	248.656	3.175	50	40	BGGB	
Cc1nc(C(F)(F)F)cc(C(=O)Cl)c1C	685936941	GGAHTOWSLUYUNW-UHFFFAOYSA-N	237.608	3.096	50	40	BGGB	
O=C[C@@H](c1ccccc1)[C@@H](Cl)C(F)(F)F	5947780	ULILMOLQLRJVLE-DTWKUNHWSA-N	236.620	3.139	50	40	BGGB	
COc1cccc2sc(CCl)nc12	45235683	XBNUHXOJLWHBAN-UHFFFAOYSA-N	213.689	3.044	50	40	BGGB	
Cc1cc(C)c(CCl)c(C)c1/C=N/O	101656475	HUJMWOYTWKPZCY-AWNIVKPZSA-N	211.692	3.159	50	40	BGGB	
O=C/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	15417208	ZQACLKUXMXIUOJ-GORDUTHDSA-N	243.218	3.067	50	40	BGGB	
BrCCc1cc2ccccc2[nH]1	90627675	XCCDTRUNWZWKQR-UHFFFAOYSA-N	224.101	3.105	50	40	BGGB	
CCC(CC)=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1	370044	JLUSZRIOVPMCCO-ZIAGYGMSSA-N	244.338	3.082	50	40	BGGB	
C[C@H](NC(=O)CCl)c1cccc2ccccc12	8037177	FACKLPCSVDLOKS-JTQLQIEISA-N	247.725	3.256	50	40	BGGB	in-vitro
Cc1cccc(O[C@H](C)CBr)c1C	41288081	CXGKSUCTMOEPOX-SECBINFHSA-N	243.144	3.466	50	40	BGGB	
CC[C@H](Br)C(=O)c1ccc(C)cc1	57665937	NUCDUAQZYSEFOD-JTQLQIEISA-N	241.128	3.351	50	40	BGGB	
Cc1ccccc1-c1cc(C(=O)Cl)no1	72193601	NJDZYHCZUNMSOV-UHFFFAOYSA-N	221.643	3.029	50	40	BGGB	
O=C(CCl)c1cc2cc(Cl)ccc2[nH]1	1535639713	ZQBAZIHPFUEWPX-UHFFFAOYSA-N	228.078	3.243	50	40	BGGB	
O=C(CCl)Nc1ccc2c3c(cccc13)CC2	13609017	SFQQLVIRQUPYKW-UHFFFAOYSA-N	245.709	3.116	50	40	BGGB	
COc1ccc(P(Cl)Cl)cc1	95671010	FGUXFYVKYGYGCY-UHFFFAOYSA-N	209.012	3.110	50	40	BGGB	
ClCCn1nccc1-c1ccc(Cl)cc1	96527657	ARJWAWFTRHEGRE-UHFFFAOYSA-N	241.121	3.442	50	40	BGGB	
ClCC1CCN(CCc2ccccc2)CC1	1865792	QFGRZZFIOAPBIA-UHFFFAOYSA-N	237.774	3.180	50	40	BGGB	
Cc1nc(NC(C)(C)C)ccc1CCl	72225003	APDWERLXOXWERV-UHFFFAOYSA-N	212.724	3.339	50	40	BGGB	
Cc1cc(C)c2c(CCl)cc(=O)oc2c1C	541089	ZKVDUCAPTIXCSV-UHFFFAOYSA-N	236.698	3.457	50	40	BGGB	biogenic
COc1ccc(/C=C/C=O)c2ccccc12	77302366	HLJSNSPHGJFGKT-SNAWJCMRSA-N	212.248	3.061	50	40	BGGB	in-vitro
Cl[C@H]1[C@@H]2C[C@@H](c3ccccc32)[C@H]1Cl	103851847	LSZRQYDYYAPANK-CKIJPRSSSA-N	213.107	3.486	50	40	BGGB	
N#Cc1ccc(SCCCCl)cc1	39476089	QKUYURKARUYGLU-UHFFFAOYSA-N	211.717	3.279	50	40	BGGB	
COc1ccc(Cl)cc1C(=O)[C@@H](C)Cl	36154332	OXNJNTDLTKSPFZ-ZCFIWIBFSA-N	233.094	3.159	50	40	BGGB	
SCCP(c1ccccc1)c1ccccc1	388646	DJPUGZSLVKFBGD-UHFFFAOYSA-N	246.315	3.049	50	40	BGGB	in-vitro
Cc1nc(C2CCOCC2)sc1CCCl	83374672	YEGKPQZJQOEMQK-UHFFFAOYSA-N	245.775	3.127	50	40	BGGB	
CCCCC[C@H](/C=C/C=O)O[C@@H]1CCCCO1	205610514	IGEVFMUECFIYEU-BIYBCCJYSA-N	240.343	3.234	50	40	BGGB	
CCOC(=O)/C(C#N)=C1\C[C@H]2C[C@@H]1[C@@H](C)C2(C)C	4728555	BSAGGPIZZBRQIX-RKHIYXGCSA-N	247.338	3.072	50	40	BGGB	
N#C/C=C(\c1ccc(O)cc1)c1ccc(F)cc1	26897145	ATWAJCHCGIUSER-DHDCSXOGSA-N	239.249	3.487	50	40	BGGB	
N#C[C@H](Cl)c1ccccc1Br	45626904	KGFHBZCOOBDMEE-QMMMGPOBSA-N	230.492	3.253	50	40	BGGB	
C[C@]12C[C@@H]3C[C@H](C1)C[C@@]([C@@H](Cl)C(=O)O)(C3)C2	242723072	YCYQNZBVYNGARM-WKLONVCASA-N	242.746	3.285	50	40	BGGB	
Cc1cc([N+](=O)[O-])cc(Cl)c1SC#N	226755655	JWNSPHISVIRLMM-UHFFFAOYSA-N	228.660	3.130	50	40	BGGB	
CN1/C(=C\C=C(C#N)C#N)C(C)(C)c2ccccc21	12512831	QLAVCESZOIGIIB-DHDCSXOGSA-N	249.317	3.271	50	40	BGGB	
BrCc1cncc2ccccc12	90411570	GZNJXJPLISIPPX-UHFFFAOYSA-N	222.085	3.130	50	40	BGGB	
ClCCn1nccc1-c1cccc(Cl)c1	96527662	JCGRRIFQYDHHJA-UHFFFAOYSA-N	241.121	3.442	50	40	BGGB	
FC(F)(F)c1c(CCl)ccnc1Cl	95761957	YLOBBTRZJPKGOF-UHFFFAOYSA-N	230.016	3.493	50	40	BGGB	
CC[C@H](Cl)C(=O)c1cc(F)cc(F)c1	307249348	OIEJRMZLDPBHMY-VIFPVBQESA-N	218.630	3.165	50	40	BGGB	
N#CC(C#N)=CNc1ccc2c3c(cccc13)CC2	49020902	MJIPULAPZJANNI-UHFFFAOYSA-N	245.285	3.281	50	40	BGGB	
Cc1cc(CBr)c(F)cc1F	84192837	ATFXKBKIXOZNMM-UHFFFAOYSA-N	221.044	3.168	50	40	BGGB	in-vitro
COc1cc(F)ccc1C(=O)CCCCl	382709390	WQNNKJAMJVQIJW-UHFFFAOYSA-N	230.666	3.036	50	40	BGGB	
CCCOc1ccc(CBr)cc1	33985813	YBQKGOKXPFDCCT-UHFFFAOYSA-N	229.117	3.370	50	40	BGGB	in-vitro
C[C@H](Br)Cc1ccsc1	62148389	DYUWCHXYYYRQKD-LURJTMIESA-N	205.120	3.074	50	40	BGGB	
F[C@]1(Br)CC=CC=C1CCl	95944486	QFBVAKPOIFPIJM-SSDOTTSWSA-N	225.488	3.172	50	40	BGGB	
CC(C)COc1ccccc1C=C(C#N)C#N	6827334	NGUIYGXJISXUJS-UHFFFAOYSA-N	226.279	3.152	50	40	BGGB	
C[C@@H](NC(=O)CCl)c1cccc2ccccc12	8037183	FACKLPCSVDLOKS-SNVBAGLBSA-N	247.725	3.256	50	40	BGGB	in-vitro
CCc1ccc(O[C@H](C)CBr)cc1	41288062	MNWNAJNEOYOCHN-SECBINFHSA-N	243.144	3.411	50	40	BGGB	
N#CC(C#N)=Cc1cc(Cl)c(O)c(Cl)c1	4691139	VRFUIEKRFCDQED-UHFFFAOYSA-N	239.061	3.130	50	40	BGGB	
C=CCOc1c(Cl)cc(/C=C/C#N)cc1OC	6735788	DWEUQUYJMWQVJD-SNAWJCMRSA-N	249.697	3.450	50	40	BGGB	
O=CC1=C(O)/C(=C/c2ccccc2)CCC1	18044597	OWSXNQXMLFUBIS-FMIVXFBMSA-N	214.264	3.265	50	40	BGGB	
Fc1cc(Cl)ccc1CN=C=S	118042968	UDOMBEMTGIXCLL-UHFFFAOYSA-N	201.653	3.082	50	40	BGGB	
CC1=C(C#N)C(c2ccccc2C)C(C#N)=C(C)N1	25156756	QYALBKVUGNWNJL-UHFFFAOYSA-N	249.317	3.277	50	40	BGGB	
Cl[C@@H]1CC[C@H]2S[C@H]1CC[C@H]2Cl	242648377	QUZIEYDEASXPSN-XUTVFYLZSA-N	211.157	3.259	50	40	BGGB	
N#C/C(=C/c1ccco1)c1ccccc1F	34888982	LLYLNTKVYCDKDA-NTMALXAHSA-N	213.211	3.483	50	40	BGGB	
C/C(CC(C)C)=N\NC(=O)c1ccc(C)c(C)c1	4647051	ZLYKFJDHYHBIJC-DTQAZKPQSA-N	246.354	3.455	50	40	BGGB	
Cc1cc(C)cc(O[C@H](C)CBr)c1	41288087	QJOBUPUEDSDKDF-SNVBAGLBSA-N	243.144	3.466	50	40	BGGB	
O=C=Nc1ccc2[nH]c3ccccc3c2c1	1676445	XAULNDLXIJUNTK-UHFFFAOYSA-N	208.220	3.288	50	40	BGGB	
C[C@H](Br)c1cccc(C#N)c1	69637394	DMAOHPSLHOOOPW-ZETCQYMHSA-N	210.074	3.014	50	40	BGGB	in-vitro
C=CCCCC[Si](OCC)(OCC)OCC	196837316	RKYSDIOEHLMYRS-UHFFFAOYSA-N	246.423	3.391	50	40	BGGB	
Cc1ccc(NC(=O)[C@@H](C)Cl)c(Cl)c1	20363147	IRMCANJRUCPJSF-SSDOTTSWSA-N	232.110	3.214	50	40	BGGB	in-vitro
N#C/C(=C\c1ccc(F)c(F)c1)c1ccno1	32741433	ACMFBXUEOGQOLM-WEVVVXLNSA-N	232.189	3.017	50	40	BGGB	
ClCCOCOc1ccc2ccccc2c1	1724588	KWOHEQXLFDGBHN-UHFFFAOYSA-N	236.698	3.432	50	40	BGGB	
Cl[C@H](CBr)c1ccccc1	2045853	UVZVRUOXFQXFTC-MRVPVSSYSA-N	219.509	3.361	50	40	BGGB	
CCCCCC(=O)N/N=C/c1sccc1C	5459021	PDQZSLCIYPRCQO-UKTHLTGXSA-N	238.356	3.087	50	40	BGGB	
CCc1cccc(C)c1CBr	64033997	LTFPXLGBKHDMEW-UHFFFAOYSA-N	213.118	3.452	50	40	BGGB	
Fc1ccc(CCl)cc1OC(F)(F)F	149011007	LYIMZQOOJBZTSQ-UHFFFAOYSA-N	228.572	3.463	50	40	BGGB	
FC(F)(F)c1ccc2c(c1)N=CN[C@@H]2Cl	26894445	OPKJLWLUWHDKSC-QMMMGPOBSA-N	234.608	3.206	50	40	BGGB	
CCc1ccc(C(=O)Cl)cc1Br	83178493	HXDRDQKKWREBNN-UHFFFAOYSA-N	247.519	3.391	50	40	BGGB	
CCC[C@@H](Br)[C@@H](C)Br	103634585	CHNCACSQVNDLSU-PHDIDXHHSA-N	243.970	3.333	50	40	BGGB	
O=C(O)CCCCC[C@@H]1CCSS1	22060223	VBTNABAOJVZGII-MRVPVSSYSA-N	220.359	3.175	50	40	BGGB	in-vitro
C[C@@H](Br)c1cccc(C#N)c1	69637395	DMAOHPSLHOOOPW-SSDOTTSWSA-N	210.074	3.014	50	40	BGGB	in-vitro
Cc1cccc(/C=C(\C#N)c2ccccn2)c1	5895218	ZSMCOERUYZRJQA-GXDHUFHOSA-N	220.275	3.454	50	40	BGGB	
Nc1ccccc1S[C@@H](Cl)C(F)(F)F	12505813	JJAPPZLXGFYTDB-SSDOTTSWSA-N	241.665	3.488	50	40	BGGB	
COc1c(C(=O)Cl)cccc1C(F)(F)F	38529839	VOQPCMLSRLWUEQ-UHFFFAOYSA-N	238.592	3.093	50	40	BGGB	
CN[C@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)[C@H]2Cl	100072897	MZZYFGRZIFMSKE-WNWFYDSVSA-N	241.806	3.418	50	40	BGGB	
COc1ccc(Br)cc1CCl	20369928	YUJFMJVATVQTBS-UHFFFAOYSA-N	235.508	3.197	50	40	BGGB	
C/C(C#N)=C(/Br)c1ccccc1	3095007	MAXCAEHEJMSZIV-NTMALXAHSA-N	222.085	3.336	50	40	BGGB	
ClCc1nc2cccc(Br)c2o1	84790317	GBOULWITLNUIFS-UHFFFAOYSA-N	246.491	3.329	50	40	BGGB	
BrCc1cccc2ccoc12	114917608	SBEAPOAYRQDHJQ-UHFFFAOYSA-N	211.058	3.328	50	40	BGGB	
O=C[C@@H]1CCCc2ccccc2[C@@H]1Cl	1857793512	DLHJVHUKXNPMCO-CMPLNLGQSA-N	208.688	3.118	50	40	BGGB	
C[C@@H](Cl)C(=O)Nc1ccc(Cl)cc1F	12504903	AOFHXTGYYFGIRP-RXMQYKEDSA-N	236.073	3.045	50	40	BGGB	
N#C/C(=C/c1ccc(O)cc1)c1cccc(C#N)c1	107882698	DXEONPCNLQVFNR-NVNXTCNLSA-N	246.269	3.328	50	40	BGGB	
Cc1ccc2oc(CCCCl)nc2c1	37746500	HGMNYAZTNGXWGZ-UHFFFAOYSA-N	209.676	3.308	50	40	BGGB	
N#C[C@@H](Cl)c1c(F)cccc1Cl	45626882	FSOVTOZIYHZIDE-ZCFIWIBFSA-N	204.031	3.283	50	40	BGGB	in-vitro
O=C(CCCBr)c1ccccc1	1719471	AUWYVCBOBIRRGR-UHFFFAOYSA-N	227.101	3.044	50	40	BGGB	
Cc1csc(/C(C#N)=C/c2ccc(C)o2)n1	8207253	NRRXIFBTVFUDDC-BJMVGYQFSA-N	230.292	3.417	50	40	BGGB	
CCC/C(=C(/C#N)C(=O)OCC)c1ccccc1	5498200	PNTUPGXTBBUIRW-BUHFOSPRSA-N	243.306	3.327	50	40	BGGB	
Fc1cc(F)c(F)c(CCBr)c1	199539638	AYHBLJDERAPRMM-UHFFFAOYSA-N	239.034	3.041	50	40	BGGB	
FC(F)(F)c1cnc(Cl)c(CCl)c1	95761919	YBEOZGDYPXFGNV-UHFFFAOYSA-N	230.016	3.493	50	40	BGGB	
CCCCn1cc(-c2cnc(CCl)o2)cn1	96525747	BOUDCPHSKFBDPJ-UHFFFAOYSA-N	239.706	3.077	50	40	BGGB	
Clc1cnc(CBr)c(Cl)c1	145607617	SHRJOHFVZATANE-UHFFFAOYSA-N	240.915	3.283	50	40	BGGB	
Cc1ccc(-c2noc([C@H](C)Cl)n2)cc1F	12505403	MPQOYQMCDQZTRB-ZETCQYMHSA-N	240.665	3.484	50	40	BGGB	
CCCC/C(C=O)=C\NC(=O)Nc1ccccc1	104202057	YMRXGGKCJWMMBA-ZRDIBKRKSA-N	246.310	3.081	50	40	BGGB	
COC(=O)c1c(CCl)nc2ccccc2c1C	4206985	NJOVGGHVCBGHOU-UHFFFAOYSA-N	249.697	3.069	50	40	BGGB	
Fc1cc(F)c2sc(CCl)nc2c1	34476059	LLEKVIHIOONSPJ-UHFFFAOYSA-N	219.643	3.313	50	40	BGGB	
O=P(Cl)(Cl)Nc1ccccn1	104076153	CMQTVPNZLWHTPM-UHFFFAOYSA-N	210.988	3.079	50	40	BGGB	
O=C(CCCCCl)c1ccc(F)cc1	2378503	UGAKAFQJJSSKJM-UHFFFAOYSA-N	214.667	3.418	50	40	BGGB	
CCOc1c(F)cc(C(=O)Cl)cc1Cl	38529976	DVFYPWIHSIEUNN-UHFFFAOYSA-N	237.057	3.257	50	40	BGGB	
C[C@@H](Cl)C(=O)c1ccccc1Cl	39055316	SGAPLXKLYQSWJY-ZCFIWIBFSA-N	203.068	3.150	50	40	BGGB	
Cc1nc(-c2cccc(N=C=O)c2)cs1	4277290	FGXXZVGMPBZEBB-UHFFFAOYSA-N	216.265	3.086	50	40	BGGB	
COc1cc(F)cc(C(=O)C(C)(C)CCl)c1	382675231	NMVDURNPKLZOED-UHFFFAOYSA-N	244.693	3.282	50	40	BGGB	
O=C(F)c1cc(Cl)c(F)c(Cl)c1F	2562551	VWNMVYACOKCDLR-UHFFFAOYSA-N	228.984	3.381	50	40	BGGB	
O=C(CCCCl)c1c(F)cccc1F	85055462	GLRMCGPVDLHJIL-UHFFFAOYSA-N	218.630	3.167	50	40	BGGB	
N#CC(C#N)=C1Cc2cccc3cccc1c23	35950	FVBKQWKUQRRZCM-UHFFFAOYSA-N	216.243	3.197	50	40	BGGB	
ClCCSc1cc(Cl)nnc1Cl	1614488	NHPHIXUUEPTTRK-UHFFFAOYSA-N	243.546	3.114	50	40	BGGB	
N#CC(C#N)=C1CCS[C@H]2CCCC[C@H]12	6261926	ATELRZXBXANRBT-NEPJUHHUSA-N	218.325	3.026	50	40	BGGB	
Cc1cc(Cl)ccc1C(=O)CCl	39055327	BLJCWQPVXCTKTI-UHFFFAOYSA-N	203.068	3.070	50	40	BGGB	
CCNC(C)(C)[C@@H](Cl)c1cccs1	6385285	ICMVRBVZOGGNAP-VIFPVBQESA-N	217.765	3.416	50	40	BGGB	
CC(=O)c1cc(CCl)c(CCl)s1	6658093	HXENBTAYTRBCOZ-UHFFFAOYSA-N	223.124	3.428	50	40	BGGB	
C[C@H](Cl)C(=O)OC12CC3CC(CC(C3)C1)C2	408729269	ATIQXNKUCMSDGU-RERGEOBBSA-N	242.746	3.126	50	40	BGGB	
N#C/C(=C\c1ccco1)C(=O)c1ccccc1	4672887	RYSPQOWNCYWAQP-FMIVXFBMSA-N	223.231	3.069	50	40	BGGB	
CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(C2)OC[C@H](CCl)O1	4723110	VANNDJWVQQQRBO-DNIRFERGSA-N	244.762	3.183	50	40	BGGB	
N#C/C(=C\C(Cl)=C/c1ccccc1)C(N)=S	5372621	IOXAKIOTEKNKKK-NXAIOARDSA-N	248.738	3.002	50	40	BGGB	
CCOc1c(C)cc(C(=O)Cl)cc1C	95739473	ZQFVYTATOVLJOH-UHFFFAOYSA-N	212.676	3.081	50	40	BGGB	
CC(C)CN(CC(C)C)C(=O)CCCCl	5907653	ZAOYOLSPPPCZNR-UHFFFAOYSA-N	233.783	3.146	50	40	BGGB	
O=[S@](O)CCCSSc1ccccc1	17190124	JNDCHTKGIAJDHE-UHFFFAOYSA-N	248.394	3.039	50	40	BGGB	
Cc1cc2nc(N)sc2c(C)c1SC#N	45888659	ZHSHFHXFENHAPZ-UHFFFAOYSA-N	235.337	3.069	50	40	BGGB	
CC(C)(CCl)C(=O)c1ccccc1C#N	308817335	WCHVRKIBJCTINN-UHFFFAOYSA-N	221.687	3.006	50	40	BGGB	
C[C@@H]1CCN(C(=O)CCCl)c2ccccc21	2044177	UHNUQOTVCXZOPZ-SNVBAGLBSA-N	237.730	3.156	50	40	BGGB	
C[C@H](Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1	37389563	XIJGFEZWEDLLRX-JGVFFNPUSA-N	246.137	3.145	50	40	BGGB	
Cc1cc([N+](=O)[O-])c(SC#N)cc1Cl	216863162	MWKCHSPKHZGDJB-UHFFFAOYSA-N	228.660	3.130	50	40	BGGB	
O=C(O)c1ccc(CCCCCCl)cc1	1749543	YONFFQJILOKLFI-UHFFFAOYSA-N	226.703	3.336	50	40	BGGB	
Clc1ccc2c(c1)C[C@H](CBr)O2	19946432	QNHKVVDYBAZLER-MRVPVSSYSA-N	247.519	3.038	50	40	BGGB	
Cc1ccc(-c2cc(CCl)no2)cc1	26421032	QCTXUUBTLPQWGS-UHFFFAOYSA-N	207.660	3.389	50	40	BGGB	
CC(C)c1ccccc1O[C@@H](C)C(=O)Cl	33433779	PDCVODGVSARNOE-VIFPVBQESA-N	226.703	3.343	50	40	BGGB	
C[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCCCCCl	254828688	UGTUWIDPBVGBTD-RHYQMDGZSA-N	242.746	3.007	50	40	BGGB	
CCCCSSCCOC(=O)OCC	1626935	VZVGETXSJMGXKF-UHFFFAOYSA-N	238.374	3.341	50	40	BGGB	
Cn1ccnc1[C@H](Cl)c1ccc(Cl)cc1	22115147	LBCZSAYEIRRXRZ-SNVBAGLBSA-N	241.121	3.402	50	40	BGGB	
CC[C@H](Cl)C(=O)c1sccc1C	306585787	HYHDTELDOQWDBA-ZETCQYMHSA-N	202.706	3.257	50	40	BGGB	
Nc1cccc(Cl)c1N1CCC(Cl)CC1	1772715337	YZRZQTVDYPMIGE-UHFFFAOYSA-N	245.153	3.130	50	40	BGGB	
Cc1nc(-c2ccc(N=C=O)cc2)cs1	4277375	FTGJJMLYVNMJHU-UHFFFAOYSA-N	216.265	3.086	50	40	BGGB	
CCCC[C@H](CC)[C@@H]1OC[C@@H](CCl)O1	19798510	VXTBURWDRVNELN-HBNTYKKESA-N	220.740	3.183	50	40	BGGB	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CCl	37987270	OFDQSXJYKBGHID-QMMMGPOBSA-N	246.137	3.098	50	40	BGGB	
Cc1ccc(O[C@@H](C)CBr)cc1	41250853	DNZCTFHXWSXNHM-VIFPVBQESA-N	229.117	3.157	50	40	BGGB	
O=C(CCCl)c1c[nH]c2ccc(F)cc12	157313760	SJPWCARIBCGYMP-UHFFFAOYSA-N	225.650	3.119	50	40	BGGB	
Cc1cc(Cl)ccc1C(=O)[C@H](C)Cl	238423921	NRYMLRCWSCGHAR-ZETCQYMHSA-N	217.095	3.458	50	40	BGGB	
Cc1ccc(F)cc1C(=O)CCCCl	85055609	AAMBAMMOGSPVLS-UHFFFAOYSA-N	214.667	3.336	50	40	BGGB	
CC1(C)[C@H](C(Cl)Cl)CC[C@]1(C)C(=O)O	107108450	XXAHLJCEUPJYHD-QUBYGPBYSA-N	239.142	3.317	50	40	BGGB	
N#Cc1ccc2[nH]cc(C(=O)CCCCl)c2c1	2567236	DFORIOBMTPKWPE-UHFFFAOYSA-N	246.697	3.241	50	40	BGGB	in-vitro
COc1ccc(Cl)cc1/C=C/C(=O)Cl	5661765	IAXBYCIOWIEFRK-GORDUTHDSA-N	231.078	3.127	50	40	BGGB	
Fc1ccc(CN=C=S)c(Cl)c1	1776010817	NZQHNKOMFWUCDT-UHFFFAOYSA-N	201.653	3.082	50	40	BGGB	
Cc1cc(C)c(C)c(/C=C(\C#N)C(N)=S)c1C	12410454	DKMNDHCKWPIRJA-WUXMJOGZSA-N	244.363	3.113	50	40	BGGB	
O=C(Cl)CCCSc1ccccc1	33433365	OBWJJJOJJKTYKP-UHFFFAOYSA-N	214.717	3.324	50	40	BGGB	
BrCc1cnc(-c2ccccc2)o1	136729152	ZRDAKARAOUNJJT-UHFFFAOYSA-N	238.084	3.237	50	40	BGGB	
CC[C@@H]1CCC/C1=N\NC(=O)C1CCCCC1	4545219	JPRXOUFUOAQRPD-QORHXFOUSA-N	236.359	3.249	50	40	BGGB	
CCC(CC)=NNC(=O)c1ccc(Cl)cc1	5163271	WTCLSTRWULIZPI-UHFFFAOYSA-N	238.718	3.246	50	40	BGGB	
O=C(Cl)CCc1ccc(Cl)cc1	33433000	VGNRGOGIWXMVLI-UHFFFAOYSA-N	203.068	3.038	50	40	BGGB	in-vitro
Cc1ccc(C#CCBr)c(C)c1	95633514	KSGWZRASDWPHJY-UHFFFAOYSA-N	223.113	3.050	50	40	BGGB	
CC1=C[C@@H](C)[C@H](COC(=O)CCl)[C@H](C)C1	4844165	XFKKLFJLWBBJEM-MXWKQRLJSA-N	230.735	3.007	50	40	BGGB	
N#C/C(=C/O)c1ccc(Cl)c(Cl)c1	100365386	RTXZLLOYUZLNBR-ALCCZGGFSA-N	214.051	3.416	50	40	BGGB	
COc1cc(C(=O)CCCCl)ccc1F	143447013	SUEBDMHSPHSWOI-UHFFFAOYSA-N	230.666	3.036	50	40	BGGB	
O=C(N[C@@H]1CCCC[C@H]1Cl)C1CCCCC1	1712121	NCYNGUGTGPXVDF-VXGBXAGGSA-N	243.778	3.233	50	40	BGGB	
Cc1oc(-c2ccc(C#N)cc2)nc1CCl	199560564	YOZIQPKYTFLLPG-UHFFFAOYSA-N	232.670	3.261	50	40	BGGB	
Cc1cc(C(=O)CBr)cc(C)c1C	8549104	ASVAFEANSCMALZ-UHFFFAOYSA-N	241.128	3.189	50	40	BGGB	
O=C(CCCCl)c1cccc(F)c1F	85055466	GRULCPFQNONVGX-UHFFFAOYSA-N	218.630	3.167	50	40	BGGB	
C[Si](C)(C)C/C=C/C(=O)O[Si](C)(C)C	195751506	SUHKAEVNVTYNIE-BQYQJAHWSA-N	230.456	3.259	50	40	BGGB	
C[C@@H](Cl)c1nc(-c2ccccc2)no1	7779448	WLWPNBHEEVRYRC-SSDOTTSWSA-N	208.648	3.036	50	40	BGGB	in-vitro
CCC[C@@H](I)CC	2013435	QQKICFXKOIDMSQ-LURJTMIESA-N	212.074	3.000	50	40	BGGB	
Cc1ccc2onc(CBr)c2c1	34320468	OFHLKSCGAKEBIP-UHFFFAOYSA-N	226.073	3.031	50	40	BGGB	
Cc1ccccc1CN(CCCl)CCCl	95832231	ZTVWBPHEDHURJC-UHFFFAOYSA-N	246.181	3.275	50	40	BGGB	
Cc1cc(Cl)ccc1C(=O)[C@@H](C)Cl	238426540	NRYMLRCWSCGHAR-SSDOTTSWSA-N	217.095	3.458	50	40	BGGB	
CCc1ccc(/C=C(/C#N)C(=O)OC(C)C)s1	43784	NCQRZCSINRCSLO-YFHOEESVSA-N	249.335	3.169	50	40	BGGB	
Cc1cc(C)c(C(=O)[C@H](C)Cl)cc1C	3316830	OSAHTYSEKMOORS-JTQLQIEISA-N	210.704	3.422	50	40	BGGB	in-vitro
CCC(=O)c1ccc(CBr)cc1	19926730	MMWLPFRDTCOCAY-UHFFFAOYSA-N	227.101	3.174	50	40	BGGB	in-vitro
COc1ccc(CCl)c(Cl)c1OC	33611382	ZRCXRIHUKHLNFX-UHFFFAOYSA-N	221.083	3.096	50	40	BGGB	
C[C@@]12CC[C@@H](C/C1=N/O)[C@]2(C)CBr	105469056	AWBFTBBHLBKDMO-KUCGWHPESA-N	246.148	3.038	50	40	BGGB	
C[C@H]1CC[C@@](C)(C(=O)CBr)C1(C)C	217714621	VGFPNDLEAUZDMN-KWQFWETISA-N	247.176	3.413	50	40	BGGB	
FC(F)(F)O[C@H]1CCC[C@@H](Br)C1	952958871	ZSYIMROQPANBJX-RITPCOANSA-N	247.054	3.229	50	40	BGGB	
COc1ccc(C(C)C)cc1C(=O)Cl	57339156	MDOHEPLWJYMQKO-UHFFFAOYSA-N	212.676	3.198	50	40	BGGB	
CC(C)COc1c(F)cc(C(=O)Cl)cc1F	95739782	ZNIBFNPJGWJNRA-UHFFFAOYSA-N	248.656	3.379	50	40	BGGB	
Fc1cc(CN=C=S)ccc1Cl	1776010771	FQOBNCFOFFROQK-UHFFFAOYSA-N	201.653	3.082	50	40	BGGB	
Cc1cc(C)c([C@H](C)NC(=O)CCl)cc1C	4200307	KSHQLJZWJYBUDH-NSHDSACASA-N	239.746	3.028	50	40	BGGB	
BrCc1coc2ccccc12	39208885	AEWASAYNGKXLBK-UHFFFAOYSA-N	211.058	3.328	50	40	BGGB	
O=C(Cl)OCCCC(F)(F)C(F)(F)F	169795628	DLYDMPKMKKJLHB-UHFFFAOYSA-N	240.555	3.340	50	40	BGGB	
COc1ccc(F)cc1C(=O)C(C)(C)CCl	394766577	BSLWQHFPDAUJQN-UHFFFAOYSA-N	244.693	3.282	50	40	BGGB	
C[C@@H](CCl)N(CCCl)Cc1ccccc1	1736113	WENDWAGJOKZBMM-NSHDSACASA-N	246.181	3.355	50	40	BGGB	
CC(C)(C)C#C[C@]1(C)C[C@@H]1Br	55117094	GFAVMAMCCIXTPT-WCBMZHEXSA-N	215.134	3.209	50	40	BGGB	
C[C@H](Cl)C[C@H](Cl)C(=O)c1ccccc1	59794037	OIRCYOYIMDSYTD-WPRPVWTQSA-N	231.122	3.494	50	40	BGGB	
CCCCCCCC(=O)N/N=C/C(C)C	97965632	FYCOFHQYUMXZBN-JLHYYAGUSA-N	212.337	3.105	50	40	BGGB	
C[C@H]1[C@@H]2C[C@H](C[C@@]23OC[C@H](CCl)O3)C1(C)C	100114179	ARRMJBMUKXIDRB-FBUUZDRASA-N	244.762	3.039	50	40	BGGB	
CCC/C(=C(\C#N)C(=O)OCC)c1ccccc1	1716506	PNTUPGXTBBUIRW-YPKPFQOOSA-N	243.306	3.327	50	40	BGGB	
CC(C)(C)c1ccnc(SCCl)n1	85386139	MAQVAMKZTVFFTP-UHFFFAOYSA-N	216.737	3.063	50	40	BGGB	
COc1cccc(C(F)(F)F)c1C(=O)Cl	34433799	HXPBLTYRTHTMFQ-UHFFFAOYSA-N	238.592	3.093	50	40	BGGB	
O=C(CCl)c1ccc(C(F)(F)F)cc1	39290505	VBXNXBARORLRRI-UHFFFAOYSA-N	222.593	3.127	50	40	BGGB	in-vitro
C[C@@H](Cl)c1nc2cnccc2n1C1CC1	84148862	HBAPSBBQPOTGBG-SSDOTTSWSA-N	221.691	3.066	50	40	BGGB	
O=C(CCCCl)c1cc(F)c(F)cc1F	236156794	JZFMUNDQRJYTTE-UHFFFAOYSA-N	236.620	3.306	50	40	BGGB	
O=CC1=C(Cl)c2ccc(Cl)cc2C1	72172085	FLSFVFAHMOCSSL-UHFFFAOYSA-N	213.063	3.045	50	40	BGGB	
O=P(CCCl)(CCCl)CCCl	1688611	PXSMDDUOJZQGJN-UHFFFAOYSA-N	237.494	3.066	50	40	BGGB	
ClC1=C(Cl)[C@H](Cl)[C@H]2C=C[C@@H]1C2	1715140	UGUAONIQSWORNO-KVQBGUIXSA-N	209.503	3.489	50	40	BGGB	
Cc1ccc(O[C@H](C)CBr)cc1C	41288093	CAHBBHQHBKQTMN-SNVBAGLBSA-N	243.144	3.466	50	40	BGGB	
ICC1CCCCCC1	71254613	VCDFCRRIMCDUPA-UHFFFAOYSA-N	238.112	3.392	50	40	BGGB	
Cl[C@H]1CC[C@H]2S[C@@H]1CC[C@@H]2Cl	1664173	QUZIEYDEASXPSN-RULNZFCNSA-N	211.157	3.259	50	40	BGGB	
O=C(Cl)c1cc(Oc2ccccc2)co1	16124683	CQXHLNAGAUDPCF-UHFFFAOYSA-N	222.627	3.451	50	40	BGGB	
COc1ccc(C(=O)Cl)c(C(F)(F)F)c1	34304779	MYGJNVNUYJLTOZ-UHFFFAOYSA-N	238.592	3.093	50	40	BGGB	
CC(C)(CCl)C(=O)Nc1ccc(F)cc1	3104447	IUFNRLQYXADNJL-UHFFFAOYSA-N	229.682	3.029	50	40	BGGB	
C[C@H]1CCCCN1c1ccc(C=C(C#N)C#N)o1	9239540	HKOPAEVODDKJOW-NSHDSACASA-N	241.294	3.089	50	40	BGGB	
Cc1cc(C(=O)CCCCl)ccc1F	31893329	PCTCPOPFECWKEI-UHFFFAOYSA-N	214.667	3.336	50	40	BGGB	
COc1ccc([C@H]2OC(C#N)=CC[C@@H]2C)cc1	4267484	MCYOWBWRRGEDRQ-HZMBPMFUSA-N	229.279	3.200	50	40	BGGB	biogenic
ClC[C@H]1CCCCN1Cc1ccccc1	34432822	CPGUAMMBRXPVGH-CYBMUJFWSA-N	223.747	3.280	50	40	BGGB	
N#C/C(=C/O)c1cccc(C(F)(F)F)c1	102260879	UUHQFPZKTAMWSO-VURMDHGXSA-N	213.158	3.128	50	40	BGGB	
CC(C)(C)c1cc(Cl)nc(CCl)n1	62701740	KGSKBIDYVOXHTK-UHFFFAOYSA-N	219.115	3.166	50	40	BGGB	
ClCc1csc(Cc2ccccc2)n1	22144136	OBQYFPBESLPHHK-UHFFFAOYSA-N	223.728	3.473	50	40	BGGB	in-vitro
N#C/C(=C\c1cc(F)ccc1F)c1ccccn1	44013106	TVUBNDRHBVXKIJ-YRNVUSSQSA-N	242.228	3.424	50	40	BGGB	
ClCc1ccc(NCc2ccccc2)nc1	72225339	PRVPBMVGXHDAGY-UHFFFAOYSA-N	232.714	3.433	50	40	BGGB	
[C-]#[N+][C@H](C)c1ccc(Br)cc1	95698342	PUAIOEGVHPLDIY-SSDOTTSWSA-N	210.074	3.429	50	40	BGGB	
Cc1cc(C)c(C(=O)OCCCl)c(C)c1	1694411	RHVLDSJPBOLFDO-UHFFFAOYSA-N	226.703	3.007	50	40	BGGB	
CN1C=Nc2sc(Cl)cc2[C@@H]1Cl	228133300	IDIJNOYIUPPFKS-ZCFIWIBFSA-N	221.112	3.244	50	40	BGGB	
ClCCCOc1ccc(Br)cc1	22168930	KSPFCXKSGGMFSZ-UHFFFAOYSA-N	249.535	3.457	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(F)ccc1F	40139564	KPFSFTRQPILDEV-UXBLZVDNSA-N	249.260	3.487	50	40	BGGB	
O=C(CCl)Cc1ccc(C(F)(F)F)cc1	84192217	KUKOOJKYHOJGLR-UHFFFAOYSA-N	236.620	3.056	50	40	BGGB	
CC1(C)[C@H](C(Cl)Cl)CC[C@@]1(C)C(=O)O	107108445	XXAHLJCEUPJYHD-WKEGUHRASA-N	239.142	3.317	50	40	BGGB	
C[C@]12CCCC[C@@H]1CC[C@H](Br)C2=O	5104375	PMLLVFFVWVCOFH-YWVKMMECSA-N	245.160	3.309	50	40	BGGB	
CC(C)(C)[Si](C)(C)OCC12CC(C=O)(C1)C2	888088137	QYIMSQZLLPDFSK-UHFFFAOYSA-N	240.419	3.377	50	40	BGGB	
CCC[C@H](I)CC	2013434	QQKICFXKOIDMSQ-ZCFIWIBFSA-N	212.074	3.000	50	40	BGGB	
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Cl	5765619	CHLAOFANYRDCPD-NJGYIYPDSA-N	227.518	3.343	50	40	BGGB	in-vitro
CCOc1ccc(C(=O)CCl)cc1Cl	36198308	AZEQBADNOFPKOM-UHFFFAOYSA-N	233.094	3.160	50	40	BGGB	
CSc1ccc(C(=O)CCl)c(C)c1	1662524	JEOZMNKEIHIBFJ-UHFFFAOYSA-N	214.717	3.138	50	40	BGGB	
Cc1cccc(Cl)c1OCCBr	19093793	ZYACOGVFZFWGMV-UHFFFAOYSA-N	249.535	3.422	50	40	BGGB	
COc1c(C(=O)Cl)cc(Cl)c(C)c1C	57339785	LOSRMRNMQQFDFY-UHFFFAOYSA-N	233.094	3.344	50	40	BGGB	
CCc1oc2ccccc2c1C=C(C#N)C#N	7766560	CEJQRZGDHKHLCY-UHFFFAOYSA-N	222.247	3.426	50	40	BGGB	
CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CN1	169808686	KCNCEEJUTSYRDV-LLVKDONJSA-N	229.440	3.150	50	40	BGGB	
Cc1c(Cl)cccc1C[C@H](Cl)C#N	1762699	YYJUXSGXHHPBTK-VIFPVBQESA-N	214.095	3.322	50	40	BGGB	
C[C@H](Br)c1cccc([N+](=O)[O-])c1	36894594	CBTKUSGOSLITSO-LURJTMIESA-N	230.061	3.051	50	40	BGGB	in-vitro
Cc1ccc(/C(Cl)=C/C=C(/C#N)C(=O)O)cc1	2573016	WRLBQYHACWHRRM-IODUZNRKSA-N	247.681	3.109	50	40	BGGB	
CC(C)(C)c1ccccc1NC(=O)CCl	3268196	GPZNPCANPIZPKU-UHFFFAOYSA-N	225.719	3.161	50	40	BGGB	
CC[C@@H](Oc1cc(C)ccc1C)C(=O)Cl	36720628	VPXBCBBJJAYFGO-SNVBAGLBSA-N	226.703	3.226	50	40	BGGB	
N#Cc1ccc(-c2ccc(C(=O)Cl)o2)cc1	217713419	LLERFXVOBIIWQH-UHFFFAOYSA-N	231.638	3.197	50	40	BGGB	
O=c1cc(CCl)c2cc(Cl)ccc2o1	539608	NBOXGKMQGQWRRK-UHFFFAOYSA-N	229.062	3.185	50	40	BGGB	biogenic
CCCC[C@@H](CC)CNC(=O)C(Cl)Cl	1682730	KGRRLXPVVAYGGC-MRVPVSSYSA-N	240.174	3.123	50	40	BGGB	
CCCCOC(=O)c1ccc(N=C=S)cc1	6645482	CKWAGJXYHKPLKH-UHFFFAOYSA-N	235.308	3.378	50	40	BGGB	
O=P(Cl)(Cl)CCBr	100193679	PJGSXAZUFMCQKA-UHFFFAOYSA-N	225.837	3.052	50	40	BGGB	
CC(C)(CCl)C(=O)c1cccc(F)c1C#N	381034497	ANZHOJYDCMFMOI-UHFFFAOYSA-N	239.677	3.145	50	40	BGGB	
COc1ccc(C=C(C#N)C#N)cc1C(C)(C)C	6159352	WLTLPVOZDZFZOZ-UHFFFAOYSA-N	240.306	3.423	50	40	BGGB	
CCCC[C@H](CC)[C@H]1OC[C@@H](CCl)O1	19798512	VXTBURWDRVNELN-AXFHLTTASA-N	220.740	3.183	50	40	BGGB	
Cl[C@H]1C[C@@H](Cl)[C@H](Cl)C[C@@H]1Cl	231387331	WCKYEVXZTBRMIY-FBXFSONDSA-N	221.942	3.210	50	40	BGGB	
FC(F)(F)O[C@H]1CCC[C@H](Br)C1	952958872	ZSYIMROQPANBJX-WDSKDSINSA-N	247.054	3.229	50	40	BGGB	
CCOC(=O)c1[nH]c2ccccc2c1N=C=S	38954410	XOSXJMFSHFQBET-UHFFFAOYSA-N	246.291	3.079	50	40	BGGB	
O=C(Cl)c1ccc(OC(F)(F)F)cc1F	91251997	VDZYQIMWGWFOEH-UHFFFAOYSA-N	242.555	3.103	50	40	BGGB	
O=CC1=C(Cl)CC[C@@H](C(F)(F)F)C1	134109283	UTFLKWZJCKNPKB-ZCFIWIBFSA-N	212.598	3.041	50	40	BGGB	
CCc1cc(C(=O)Cl)c2ccc(C)cc2n1	685937431	PLBTYTFZQDCJDA-UHFFFAOYSA-N	233.698	3.485	50	40	BGGB	
CCc1ccc(-c2noc(CCl)n2)cc1	4206834	MVARJWYCLXBPBU-UHFFFAOYSA-N	222.675	3.038	50	40	BGGB	in-vitro
O=C(Cl)c1cc(Cl)c(Cl)nc1Cl	39193542	DRWKYBUROSTSFN-UHFFFAOYSA-N	244.892	3.421	50	40	BGGB	
FC(F)(F)[C@@](F)(Cl)C(Cl)Cl	113342877	MMUPRXJDJIEFNC-UWTATZPHSA-N	219.392	3.257	50	40	BGGB	
N#CC(C#N)=C(/C=C/c1ccco1)C1CC1	567068	OGYRGJBBYBWQDN-AATRIKPKSA-N	210.236	3.047	50	40	BGGB	
CC(C)=NNC(=O)Nc1ccc(C)c(Cl)c1	5208162	PXSYMPCQULADKS-UHFFFAOYSA-N	239.706	3.166	50	40	BGGB	
Cc1cc(OC(F)(F)[C@@H](F)Cl)ccc1O	34343454	WBUZWDWYEGWODV-MRVPVSSYSA-N	240.608	3.207	50	40	BGGB	
Fc1ccccc1[C@@H]1C[C@@H]1Br	242648539	QYOBQKVDLFQBBY-YUMQZZPRSA-N	215.065	3.077	50	40	BGGB	
ClCCN1CCCCc2ccccc2C1	1722363	ZKACZDDIDAILEC-UHFFFAOYSA-N	223.747	3.064	50	40	BGGB	
O=C(Cl)/C=C\c1ccccc1Cl	33364680	ZAUFNZFFWDQKPL-WAYWQWQTSA-N	201.052	3.119	50	40	BGGB	
O=C(CCl)[C@H]1CC[C@@H](C(F)(F)F)CC1	536953162	WYPHFWWWFLRSCZ-KNVOCYPGSA-N	228.641	3.163	50	40	BGGB	
O=C(NN=C1CCCC1)c1cc2ccccc2o1	16851363	REVKAYKCNOUVCG-UHFFFAOYSA-N	242.278	3.093	50	40	BGGB	
ClCc1cc(-c2ccccc2)ccn1	34222701	JXQZTESQGQBTIV-UHFFFAOYSA-N	203.672	3.487	50	40	BGGB	
COc1ccc(CCCCC(=O)Cl)cc1	11631168	VIYFCMLSFZMFEL-UHFFFAOYSA-N	226.703	3.173	50	40	BGGB	
N#C/C(=C1\OC(=O)c2ccccc21)c1ccccc1	18173344	WJZRDXONGIUWHK-CCEZHUSRSA-N	247.253	3.249	50	40	BGGB	
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Cl	19430883	FUBXGQWKANUZQJ-NSHDSACASA-N	239.746	3.051	50	40	BGGB	in-vitro
FC(F)(F)c1ccccc1CCCl	55234149	YCNNNSKOYTXTQL-UHFFFAOYSA-N	208.610	3.487	50	40	BGGB	
CCOc1cc(C)c(C(=O)Cl)c(C)c1	83181722	NENRPNVWXFRNKL-UHFFFAOYSA-N	212.676	3.081	50	40	BGGB	
C[C@@H](Cl)C(=O)c1cc(F)ccc1Cl	238425653	WRSLTFLITVKXMN-RXMQYKEDSA-N	221.058	3.289	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cc(F)ccc1C	306962007	BQBIFKLYXXFTCY-SNVBAGLBSA-N	214.667	3.334	50	40	BGGB	
CN(C)/C=C(\C=O)c1ccc(Cl)c(Cl)c1	39241596	RIUJOCJXBPDUMY-RMKNXTFCSA-N	244.121	3.095	50	40	BGGB	
COc1ccc(C=C(C#N)C#N)c2ccccc12	143071	LXOVYIODWSVIHC-UHFFFAOYSA-N	234.258	3.279	50	40	BGGB	
CCCCCC[C@]1(C)OC[C@@H](CCl)O1	1676841	AMTFVXCQVSYQLD-GHMZBOCLSA-N	220.740	3.327	50	40	BGGB	
Cl[C@H]1CC[C@H]2S[C@H]1CC[C@H]2Cl	108416995	QUZIEYDEASXPSN-SOSBWXJGSA-N	211.157	3.259	50	40	BGGB	
COC(=O)NN=C1CCC(c2ccccc2)CC1	5526215	QYRMQTZVEVUPGY-UHFFFAOYSA-N	246.310	3.056	50	40	BGGB	
CC(C)COc1cccc(C(=O)Cl)c1	5613904	MZEIEHVQQRRKNM-UHFFFAOYSA-N	212.676	3.100	50	40	BGGB	in-vitro
CCCCCCC(=O)N/N=C1/C[C@@H]2C=CC[C@H]12	4150426	HCBDHXQNOVKSRG-DCMULQSBSA-N	234.343	3.025	50	40	BGGB	
FC(F)(F)c1cccn2cc(CCl)nc12	82695323	DAGVTMLBIIBFHD-UHFFFAOYSA-N	234.608	3.092	50	40	BGGB	
COc1cccc(C(=O)Cl)c1C(F)(F)F	91252088	BUMLWUIFYAZAJN-UHFFFAOYSA-N	238.592	3.093	50	40	BGGB	
COc1ccc(Cl)cc1OC(=O)Cl	2362803502	GWDDGGFTLYBSOA-UHFFFAOYSA-N	221.039	3.086	50	40	BGGB	
COc1ccccc1[C@]1(O)CCCC[C@@H]1Cl	1615129	KJCNELHODXELHT-QWHCGFSZSA-N	240.730	3.064	50	40	BGGB	
Cc1cc(C(=O)[C@H](C)Cl)ccc1Cl	31893215	HSKMVKYCWNNJJO-ZETCQYMHSA-N	217.095	3.458	50	40	BGGB	
CCc1ccc([C@H](C)NC(=O)[C@H](C)Cl)cc1	35222665	SZHHAAUOELVQMT-UWVGGRQHSA-N	239.746	3.054	50	40	BGGB	in-vitro
C[C@H](c1cccc(Cl)c1)N(C)C(=O)CCl	37987271	OFDQSXJYKBGHID-MRVPVSSYSA-N	246.137	3.098	50	40	BGGB	
O=C(CCl)C12CC3CC(CC(C3)C1)C2	39305465	LOCZPXWXTBYAPF-UHFFFAOYSA-N	212.720	3.011	50	40	BGGB	
COc1ccccc1CCCCBr	70791589	BYBUBDMCLQWHQL-UHFFFAOYSA-N	243.144	3.413	50	40	BGGB	
CCCOc1c(F)cc(C(=O)Cl)cc1F	95739784	JHGJGKYSLMWZOZ-UHFFFAOYSA-N	234.629	3.133	50	40	BGGB	
CCc1ccc([C@H](C)NC(=O)[C@@H](C)Cl)cc1	35222663	SZHHAAUOELVQMT-ZJUUUORDSA-N	239.746	3.054	50	40	BGGB	in-vitro
Fc1cccc([C@H]2C[C@@H]2Br)c1	238539497	VOOZPOZLXOGGPR-BDAKNGLRSA-N	215.065	3.077	50	40	BGGB	
C=C(C#N)[C@@H](O)c1ccc(Cl)c(Cl)c1	19835499	PGPQKBNNEYZFPD-SNVBAGLBSA-N	228.078	3.107	50	40	BGGB	
O=C(CCl)c1ccn(C2CCCCC2)c1	20131648	YBVVSMYJDHKVFF-UHFFFAOYSA-N	225.719	3.415	50	40	BGGB	
C=C=CP(=O)(c1ccccc1)c1ccccc1	1445021	WKZPAHCFWJSILB-UHFFFAOYSA-N	240.242	3.299	50	40	BGGB	
CC[Si](OC)(OC)C1CCCCC1	195993092	QEPVYYOIYSITJK-UHFFFAOYSA-N	202.370	3.076	50	40	BGGB	
O=c1cc(CCl)c2cc3c(cc2o1)CCC3	537607	CLYZMBMCOYONIP-UHFFFAOYSA-N	234.682	3.021	50	40	BGGB	biogenic
CCCC[C@@H](C)I	2013432	XCEDNORUDUKWGK-ZCFIWIBFSA-N	212.074	3.000	50	40	BGGB	
CC[C@H](Cl)C(=O)c1cc(C)ccc1OC	71423507	ZDFYPTOTBSIVMU-JTQLQIEISA-N	226.703	3.204	50	40	BGGB	
CC12[C@@H]3CC(C[C@H]31)[C@@]2(C)CBr	100646441	AALZFQPZRNVYHT-KMWRWULUSA-N	215.134	3.064	50	40	BGGB	
FC(F)(F)SSC(F)(F)F	4329251	CGMFFOXAQVRUAZ-UHFFFAOYSA-N	202.144	3.407	50	40	BGGB	in-vitro
CCN(C(=O)CCCCl)c1ccccc1C	19271114	KKAJCHLDNNOVBX-UHFFFAOYSA-N	239.746	3.367	50	40	BGGB	
COc1ccc(F)cc1C(=O)CCCCl	36162336	KLQNEABQYOXPNG-UHFFFAOYSA-N	230.666	3.036	50	40	BGGB	
CCOC(=O)C(C#N)=C([C@H](C)CC)[C@H](C)CC	1716526	BUTDYGWAOQXGCV-GHMZBOCLSA-N	237.343	3.462	50	40	BGGB	
Fc1ccccc1[C@@H]1C[C@H]1Br	242648537	QYOBQKVDLFQBBY-JGVFFNPUSA-N	215.065	3.077	50	40	BGGB	
Nc1nc(-c2ccc(CCCl)cc2)cs1	298133	FGJPOWBNULYFQN-UHFFFAOYSA-N	238.743	3.174	50	40	BGGB	
O=C(Cl)/C=C\c1ccc(Cl)cc1	26470269	ZFOVCSTVYYYRSU-UTCJRWHESA-N	201.052	3.119	50	40	BGGB	
CC(C)C[C@@H](NC(=O)CCl)c1ccccc1	4205582	BREYCRYNLNAGQS-GFCCVEGCSA-N	239.746	3.129	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C\Nc1ccc(F)cc1	5292562	PQHFJUAZUMIRGU-KTKRTIGZSA-N	246.285	3.260	50	40	BGGB	
CC(C)(C)OC(=O)c1ccccc1CCl	12370927	JXSCJKVLGWWQAN-UHFFFAOYSA-N	226.703	3.381	50	40	BGGB	in-vitro
CC[C@@H]1CCC/C1=N\NC(=O)c1ccccc1C	12404039	CGDWMBVQEMNIRO-GASGDFKYSA-N	244.338	3.291	50	40	BGGB	
CC(=O)C1=C(C)OC(C)=C(C#N)[C@H]1c1ccco1	59416586	AMTLWZOZKVXZGB-AWEZNQCLSA-N	243.262	3.054	50	40	BGGB	
CCCCC/C(=N/NC(N)=O)C1=CCCCC1	16953585	RXYWLKDGFVKFRZ-QINSGFPZSA-N	237.347	3.091	50	40	BGGB	
CCCCC[C@H](/C=C/C=O)O[C@H]1CCCCO1	256108802	IGEVFMUECFIYEU-QPJKDDTCSA-N	240.343	3.234	50	40	BGGB	
CC[C@H](Cl)C(=O)c1cc(F)ccc1C	306962006	BQBIFKLYXXFTCY-JTQLQIEISA-N	214.667	3.334	50	40	BGGB	
Cc1cc(C)c(NC(=O)[C@H](C)Cl)c(C)c1	3379291	WKCAZHBXIHNJAB-JTQLQIEISA-N	225.719	3.178	50	40	BGGB	in-vitro
CCCCCCC(=O)N/N=C1/C[C@H]2C=CC[C@@H]12	4150427	HCBDHXQNOVKSRG-UTBUBNTNSA-N	234.343	3.025	50	40	BGGB	
CCCOc1ccc(/C=C/C(=O)Cl)cc1	33433696	WMFHEIYUGYFFGL-VMPITWQZSA-N	224.687	3.254	50	40	BGGB	
S=C(Cl)Oc1ccc2c(c1)CCCC2	139017420	QOEUMLCJUMABRH-UHFFFAOYSA-N	226.728	3.468	50	40	BGGB	
CC[C@H]1CCC/C1=N\NC(=O)C1CCCCC1	4545220	JPRXOUFUOAQRPD-VJSMGTLGSA-N	236.359	3.249	50	40	BGGB	
CC(C)(C)C#C[C@@]1(C)C[C@H]1Br	55117097	GFAVMAMCCIXTPT-SCZZXKLOSA-N	215.134	3.209	50	40	BGGB	
Cc1ccc2c(CCl)cc(=O)oc2c1C	489289	IVPYSAYHCFQONM-UHFFFAOYSA-N	222.671	3.149	50	40	BGGB	biogenic,in-vitro
CN(CCCl)C(=O)Nc1ccc(Cl)cc1	1623662	PJZADPUUSYFDHY-UHFFFAOYSA-N	247.125	3.043	50	40	BGGB	
Fc1ccc2sc(CBr)nc2c1	2585993	TZBLTCWLVUAGLQ-UHFFFAOYSA-N	246.104	3.330	50	40	BGGB	in-vitro
C[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)OCCCCCl	5534608	UGTUWIDPBVGBTD-WHOHXGKFSA-N	242.746	3.007	50	40	BGGB	
COc1ccc(C(=O)CCCCl)cc1C	9237809	VPRVLBGVFVVARN-UHFFFAOYSA-N	226.703	3.205	50	40	BGGB	
N#C/C(=C\c1cccc(C#N)c1)c1ccccn1	12549481	YJJMWFQPOZZYCG-NTEUORMPSA-N	231.258	3.017	50	40	BGGB	
O=Cc1cccc(OC(F)(F)[C@@H](F)Cl)c1	21982506	JSHMTEVWQBWYGH-MRVPVSSYSA-N	238.592	3.005	50	40	BGGB	
N#CC(=CNNc1ccccc1)c1ccccc1	1962721574	ODOGSVNMJOREQY-UHFFFAOYSA-N	235.290	3.168	50	40	BGGB	
Cc1ccc2[nH]cc(CCBr)c2c1	77596359	MRDJFDQVUHMPBU-UHFFFAOYSA-N	238.128	3.414	50	40	BGGB	
[C-]#[N+]CCc1ccc(Cl)cc1Cl	95698206	VVQKOXIHDGPKOX-UHFFFAOYSA-N	200.068	3.455	50	40	BGGB	
COc1ccc(C(=O)C(C)(C)CCl)cc1	382680702	AVPOICVZCOHODL-UHFFFAOYSA-N	226.703	3.143	50	40	BGGB	
CC[C@@H](C)c1ccccc1NC(=O)CCl	3276931	CFRLWPOECXAQDT-SECBINFHSA-N	225.719	3.377	50	40	BGGB	
Cc1cccc(-c2nc(C)cc(N=C=S)n2)c1	8731084	CQFVIXZTANWOND-UHFFFAOYSA-N	241.319	3.495	50	40	BGGB	
COc1ccc(OC)c(C#CCCCCl)c1	95632983	DEAOPESNEFGCIY-UHFFFAOYSA-N	238.714	3.074	50	40	BGGB	
N#C/C(=C\c1cccc(F)c1)c1ccccn1	5128540	DHJSAFYBMWHXDT-XYOKQWHBSA-N	224.238	3.285	50	40	BGGB	
Cc1cncc(Oc2cccc(CCl)c2)n1	12370725	IRGHRMVBHYHQTO-UHFFFAOYSA-N	234.686	3.316	50	40	BGGB	
CCc1ccc(CI)cc1	82880374	YKBRXPFNUIEZNH-UHFFFAOYSA-N	246.091	3.184	50	40	BGGB	
C[C@H](Cl)C(=O)Nc1ccc(F)cc1Cl	3252731	YGJQRDCXOFVULB-YFKPBYRVSA-N	236.073	3.045	50	40	BGGB	
Cc1ccc(O[C@H](C)CBr)cc1	41250857	DNZCTFHXWSXNHM-SECBINFHSA-N	229.117	3.157	50	40	BGGB	
N#C/C(=C\c1cccc(O)c1)C(=O)c1ccccc1	6222696	MXWICAGWAKAZFZ-NTEUORMPSA-N	249.269	3.182	50	40	BGGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1c1cccnc1	11535893	OQLHJKKSHRFKJA-UHFFFAOYSA-N	248.289	3.053	50	40	BGGB	
CCc1nc(C(F)(F)F)ccc1CCl	90415804	IIPYNPCHGKFLIH-UHFFFAOYSA-N	223.625	3.402	50	40	BGGB	
ClCc1nc2ncc(-c3ccccc3)cc2[nH]1	96510329	GIBUSZIBVMHDBY-UHFFFAOYSA-N	243.697	3.364	50	40	BGGB	
N#C/C=C/c1cc(Cl)ccc1OC(F)F	43559270	PZYUQNYMBPLACU-OWOJBTEDSA-N	229.613	3.478	50	40	BGGB	
COc1ccc(C(=O)C(C)(C)CCl)cc1C	382674697	LNVKPWUHDRGLIE-UHFFFAOYSA-N	240.730	3.451	50	40	BGGB	
CC1(C)[C@@H]2CC[C@@]1(CBr)/C(=N/O)C2	1462885	IKYHIBYXYZZBBB-RAKPTTPHSA-N	246.148	3.038	50	40	BGGB	
CCCCCCCCNC(=O)C(Cl)Cl	1672992	RLDWTQBDTBLVNR-UHFFFAOYSA-N	240.174	3.267	50	40	BGGB	
C[C@@H](Cl)c1nnc(-c2cccs2)o1	4206709	NJHQJNCNBUTPBF-RXMQYKEDSA-N	214.677	3.098	50	40	BGGB	in-vitro
FC(F)(F)[C@](F)(Cl)C(Cl)Cl	113342878	MMUPRXJDJIEFNC-REOHCLBHSA-N	219.392	3.257	50	40	BGGB	
Cc1cc(C)n(-c2ccc(CCl)cc2)n1	4207062	UGYPAKPLVBBMRT-UHFFFAOYSA-N	220.703	3.228	50	40	BGGB	in-vitro
COc1cccc(OC(=O)Cl)c1Cl	2362803639	SRXQSGHQBPQOFX-UHFFFAOYSA-N	221.039	3.086	50	40	BGGB	
CC(C)C/C=N/NC(=O)c1ccccc1Cl	4489699	UWONEYWVWVZMRX-RIYZIHGNSA-N	238.718	3.102	50	40	BGGB	
CCCCCCOC(=O)[C@@H](Cl)CC	32165548	GAONBEAFOOASRD-VIFPVBQESA-N	206.713	3.127	50	40	BGGB	
Fc1cc(CCBr)cc(F)c1F	82955081	LPIPCUJEZWXEED-UHFFFAOYSA-N	239.034	3.041	50	40	BGGB	
O=C(N[C@@H]1CCCC[C@@H]1Cl)C1CCCCC1	1712123	NCYNGUGTGPXVDF-NWDGAFQWSA-N	243.778	3.233	50	40	BGGB	
Cc1ccc(Cl)c(C(=O)[C@@H](C)Cl)c1	36180104	IVTYVTULAMUAGH-SSDOTTSWSA-N	217.095	3.458	50	40	BGGB	
C[C@H](Cl)C(=O)c1ccc(F)c(Cl)c1	238424071	OPSIPBRAWPSKOF-YFKPBYRVSA-N	221.058	3.289	50	40	BGGB	
BrCc1coc(-c2cccs2)n1	88108028	UXYXPUHCWNIIKE-UHFFFAOYSA-N	244.113	3.298	50	40	BGGB	
C[C@H](Br)c1cccnc1Cl	95096513	APHDWSJPXWCRIP-YFKPBYRVSA-N	220.497	3.191	50	40	BGGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCC1	4156342	BJHAKTSLZYFPCJ-PUTGDEEYSA-N	248.370	3.105	50	40	BGGB	
COc1ccc(C(C)(C)C)cc1C(=O)Cl	57339154	UZCFGXWUJZZXQA-UHFFFAOYSA-N	226.703	3.372	50	40	BGGB	
CCCCOc1cc(F)ccc1C(=O)Cl	95739816	JWXDGHNGSKYQPX-UHFFFAOYSA-N	230.666	3.384	50	40	BGGB	
C[C@@]12CC[C@@H](CC1=N)[C@@]2(C)CBr	1462944	NFNOHWOCHNGOBM-FXBDTBDDSA-N	230.149	3.227	50	40	BGGB	
CCCCCCN(CCCl)CCCl	1700891	ZSYVIRPDAUGJNV-UHFFFAOYSA-N	226.191	3.346	50	40	BGGB	
N#C[C@H](Cl)c1cc(Br)ccc1F	45626794	BFPAWRGETBHGET-ZETCQYMHSA-N	248.482	3.392	50	40	BGGB	
N#C/C(=C/c1ccco1)c1ccc([N+](=O)[O-])cc1	70335	QOOKRZBIDISXKU-FLIBITNWSA-N	240.218	3.252	50	40	BGGB	
CN(C)/C=C(\C=O)c1ccc(Cl)cc1Cl	29763618	AMURNPAKOWBJIB-SOFGYWHQSA-N	244.121	3.095	50	40	BGGB	
COc1cc(C(=O)[C@H](C)Cl)ccc1Cl	238333172	IKTNMFWORWNEEY-LURJTMIESA-N	233.094	3.159	50	40	BGGB	
C[C@@]1(C(=O)OCCCCCl)C[C@@H]2C=C[C@H]1C2	5534914	WLUFKYAMKRIWAK-NTZNESFSSA-N	242.746	3.151	50	40	BGGB	
Cc1ccc(/C(Cl)=C/C=C(\C#N)C(=O)O)cc1	164041	WRLBQYHACWHRRM-CZIBKUHYSA-N	247.681	3.109	50	40	BGGB	
ICCCC1CCCC1	33068571	HYKSZBRSHHUITN-UHFFFAOYSA-N	238.112	3.392	50	40	BGGB	
FC(F)(F)c1ccn2cc(CCl)nc2c1	82694870	XLQLGNBGVKYTLV-UHFFFAOYSA-N	234.608	3.092	50	40	BGGB	
COc1c(F)cccc1C(=O)CCCCCl	382734166	WAZZNRNHHKRMQQ-UHFFFAOYSA-N	244.693	3.426	50	40	BGGB	
O=C(CCl)Cc1cccc(C(F)(F)F)c1	37066113	VVDXMNPQTDDCBP-UHFFFAOYSA-N	236.620	3.056	50	40	BGGB	
CC(C)(C)[C@]12CC[C@](C(C)(C)C)(OO1)O2	68571847	ZICQWQZDQRLMLG-TXEJJXNPSA-N	214.305	3.243	50	40	BGGB	
CCC/C(O)=C(\C#N)c1nc2ccccc2[nH]1	101158100	IGAJMLLOQYRKPA-XFXZXTDPSA-N	227.267	3.156	50	40	BGGB	
O=C1OC(CCCCl)=N/C1=C\c1ccccc1	1708569	UXXDHOKNYPOEKH-LUAWRHEFSA-N	249.697	3.002	50	40	BGGB	
Cc1ccc(C)c(-c2noc(CCl)n2)c1	89262012	GBSZXADNUKQHOT-UHFFFAOYSA-N	222.675	3.092	50	40	BGGB	
ClCc1cc(CCl)c2c(c1)CCCO2	100587803	DFRZTGYWHPDJMA-UHFFFAOYSA-N	231.122	3.489	50	40	BGGB	in-vitro
CN(C)c1ccc(C(=O)CCCCCl)cc1	382675492	OHNGRPWKSPAUJV-UHFFFAOYSA-N	239.746	3.344	50	40	BGGB	
Cc1cccc(Cl)c1NC(=O)[C@H](C)Cl	28166215	LWQFPPAHCUJNHK-ZETCQYMHSA-N	232.110	3.214	50	40	BGGB	
N#C[C@H](Cl)c1ccc(F)c(Br)c1	45626798	AORXCAODUFPAHK-ZETCQYMHSA-N	248.482	3.392	50	40	BGGB	
CCN(C(=O)CCl)c1ccc(C(C)C)cc1	199758717	GWACXHSTPZBZMF-UHFFFAOYSA-N	239.746	3.402	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccc(F)cc1C	306968681	HZXDHMIEZWECET-SNVBAGLBSA-N	214.667	3.334	50	40	BGGB	
CC(=O)Nc1cc(C)c(CCl)cc1C	1705685	ICDBDPGWRSHHHH-UHFFFAOYSA-N	211.692	3.001	50	40	BGGB	
O=C(N[C@H]1CCCC[C@H]1Cl)C1CCCCC1	1712120	NCYNGUGTGPXVDF-NEPJUHHUSA-N	243.778	3.233	50	40	BGGB	
Cc1cc(C(=O)N/N=C/C2CCCCC2)c(C)o1	6527756	QIOFAXARMNZEBG-OQLLNIDSSA-N	248.326	3.192	50	40	BGGB	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CCl	12275540	XHQPKRVACXDVNV-DCAQKATOSA-N	232.751	3.229	50	40	BGGB	
C=C(C#N)[C@H](O)c1ccc(Cl)c(Cl)c1	19835496	PGPQKBNNEYZFPD-JTQLQIEISA-N	228.078	3.107	50	40	BGGB	
ClC1=C(Cl)[C@H](Cl)[C@H]2C=C[C@H]1C2	104110622	UGUAONIQSWORNO-HCWXCVPCSA-N	209.503	3.489	50	40	BGGB	
O=C(Cl)c1cc2c(Cl)cccc2[nH]1	199561858	BMQXBOWCLXMJBS-UHFFFAOYSA-N	214.051	3.200	50	40	BGGB	
Cc1cccc(CCBr)c1C	60712480	STIRWWJCYONDGA-UHFFFAOYSA-N	213.118	3.241	50	40	BGGB	
COc1ccccc1/C=C(\C#N)C(=O)C(C)(C)C	6823327	WSBDZKIYHQZBLG-FMIVXFBMSA-N	243.306	3.217	50	40	BGGB	
Cc1ccc(C)c(OCCBr)c1C	37382319	XHCUKFVCBOJNBV-UHFFFAOYSA-N	243.144	3.386	50	40	BGGB	
c1ccc(P(c2ccccc2)[c-]2cccc2)cc1	59064367	YPFCBXRIJFOFML-UHFFFAOYSA-N	249.273	3.164	50	40	BGGB	
CN1/C(=C/C=C(C#N)C#N)C(C)(C)c2ccccc21	3123904	QLAVCESZOIGIIB-OQLLNIDSSA-N	249.317	3.271	50	40	BGGB	
CC[C@H](Cl)C(=O)c1cc(C)cc(F)c1	307649766	ITUIFDQRCBVRHO-JTQLQIEISA-N	214.667	3.334	50	40	BGGB	
BrCCCc1c[nH]c2ccccc12	34117811	YUBXEUBNYOBJMQ-UHFFFAOYSA-N	238.128	3.495	50	40	BGGB	
Cc1cc(CCl)cnc1NC(C)(C)C	72222917	FIEQWVCXBIKOMP-UHFFFAOYSA-N	212.724	3.339	50	40	BGGB	
ClCCc1ccccc1Br	82955053	FFJNMAJBMVALKU-UHFFFAOYSA-N	219.509	3.230	50	40	BGGB	
O=[N+]([O-])c1cc(Cl)cc2nc(CCl)oc12	238536636	WBCHIYVFBIFEBR-UHFFFAOYSA-N	247.037	3.128	50	40	BGGB	
N#C/C(=C/c1ccco1)Cn1cnc2ccccc21	408691515	BNEOKBNZVGODPX-WQLSENKSSA-N	249.273	3.236	50	40	BGGB	
N#CSc1sc(N)nc1-c1cccs1	546198	DBNBGERTDDTLAF-UHFFFAOYSA-N	239.350	3.027	50	40	BGGB	
Cc1cc(C=C(C#N)C#N)c(C)n1CC(C)C	13141610	WJXZVQDOJYGPQW-UHFFFAOYSA-N	227.311	3.192	50	40	BGGB	
CC(=C(C#N)C#N)c1ccc(Br)cc1	295810	PHHYKSAKEFGMGL-UHFFFAOYSA-N	247.095	3.270	50	40	BGGB	
C=CCC[C@H](Br)CBr	2579253	WFGDPUOTONXJOS-LURJTMIESA-N	241.954	3.111	50	40	BGGB	biogenic
O=C(Cl)c1cccc2cccc([N+](=O)[O-])c12	57353817	RLKNANWXTFHMOW-UHFFFAOYSA-N	235.626	3.127	50	40	BGGB	
Clc1ccccc1OCCBr	3267884	ZDEJJQHQIOWTPC-UHFFFAOYSA-N	235.508	3.114	50	40	BGGB	
Cl/C=C(/Cl)CSCCCl	4721893	ATIWGYQFPDKMMX-HWKANZROSA-N	205.537	3.277	50	40	BGGB	
Fc1ccc(-c2cc(CCl)no2)cc1	20315399	KVYCDHSYAUCYNW-UHFFFAOYSA-N	211.623	3.220	50	40	BGGB	in-vitro
CCCOc1ccc(C)cc1C(=O)Cl	83189183	RXTZLSXLVJXDAV-UHFFFAOYSA-N	212.676	3.163	50	40	BGGB	
O=C(NN=C1CCCCCC1)C1CCCCC1	4675064	MFSYGBBFFMSUTO-UHFFFAOYSA-N	236.359	3.393	50	40	BGGB	
ClCc1cn2cc(Cl)cc(Cl)c2n1	6413866	BLLWVDZFZPTMPB-UHFFFAOYSA-N	235.501	3.380	50	40	BGGB	in-vitro
N#C/C(=C/c1ccc([N+](=O)[O-])o1)c1ccccc1	17212268	WQDXPOZUDGGDSD-FLIBITNWSA-N	240.218	3.252	50	40	BGGB	
CCCCCCCC[S@](=O)CCCl	98002740	LFGJRPHZVVHKAJ-CYBMUJFWSA-N	224.797	3.334	50	40	BGGB	
CCC[C@H](Br)[C@H](C)Br	103634591	CHNCACSQVNDLSU-WDSKDSINSA-N	243.970	3.333	50	40	BGGB	
O=C/C(=C\Oc1ccccc1)c1ccccc1	3845456	OTQGWPUHEFNWIX-WYMLVPIESA-N	224.259	3.305	50	40	BGGB	
C[C@]1(C(=O)OCCCCCl)C[C@@H]2C=C[C@H]1C2	5531070	WLUFKYAMKRIWAK-MDZLAQPJSA-N	242.746	3.151	50	40	BGGB	
Fc1cc(Cl)cc(CCBr)c1	168343268	VASIAYMYNDQBJQ-UHFFFAOYSA-N	237.499	3.417	50	40	BGGB	
C[C@@H](Cl)C(=O)N1CCC[C@@H]1c1cccs1	37497791	HEKRBRLZYDJCIV-RKDXNWHRSA-N	243.759	3.039	50	40	BGGB	in-vitro
Cc1ccc2sc(C(=O)CCl)nc2c1	228962729	MZGSSTDKSSAFBO-UHFFFAOYSA-N	225.700	3.026	50	40	BGGB	
CC(C)(C)OC(=O)N(CCCCl)C1CC1	15021422	KHYSGMWIIYMWJY-UHFFFAOYSA-N	233.739	3.015	50	40	BGGB	
C[C@H](Cl)C(=O)c1ccc(Cl)s1	26513826	RAMGXZHZPXADNH-BYPYZUCNSA-N	209.097	3.212	50	40	BGGB	
N#C[C@H](Br)c1ccc(Cl)cc1	34494148	AKYZXEVLLDNHDZ-QMMMGPOBSA-N	230.492	3.300	50	40	BGGB	in-vitro
C[C@H](Cl)c1nnc(-c2cccs2)o1	4206708	NJHQJNCNBUTPBF-YFKPBYRVSA-N	214.677	3.098	50	40	BGGB	in-vitro
CC(=O)OCC[C@@]12CC[C@@H](C[C@@H]1Cl)C2(C)C	4403787	YWOJGNWRTPVBLC-GVXVVHGQSA-N	244.762	3.373	50	40	BGGB	
CCCCC[C@@H](/C=C/C=O)O[C@@H]1CCCCO1	205610481	IGEVFMUECFIYEU-LUIPGBGBSA-N	240.343	3.234	50	40	BGGB	
Cc1cc(N2CCCCC2)ncc1CCl	72223490	VULOLEBSBGIWMA-UHFFFAOYSA-N	224.735	3.119	50	40	BGGB	
Cc1nc(N2CCCCC2)ccc1CCl	72224535	WYOHMTXYAIJQGV-UHFFFAOYSA-N	224.735	3.119	50	40	BGGB	
N#CC(C#N)=C1CCS[C@@H]2CCCC[C@@H]12	6261915	ATELRZXBXANRBT-NWDGAFQWSA-N	218.325	3.026	50	40	BGGB	
S=C=Nc1cnc(Cl)cc1Cl	116803542	YQNBSOCHHZSSPR-UHFFFAOYSA-N	205.069	3.123	50	40	BGGB	
Cc1nc(CCl)nc2c1oc1ccccc12	12821505	GLOPUAWAZUTFCS-UHFFFAOYSA-N	232.670	3.423	50	40	BGGB	
COc1cccc(-c2cnc(CCl)o2)c1	36903567	FDQKSUGLWHWEAK-UHFFFAOYSA-N	223.659	3.089	50	40	BGGB	in-vitro
ClC1=C(Cl)[C@H](Cl)[C@@H]2C=C[C@H]1C2	104110628	UGUAONIQSWORNO-NGJCXOISSA-N	209.503	3.489	50	40	BGGB	
COc1ccc(/C=C/C(=O)Cl)cc1Cl	72209093	DXIMKMKPNFTAEP-HWKANZROSA-N	231.078	3.127	50	40	BGGB	
O=CC1=C(Cl)c2cccc(Cl)c2C1	1857793521	FUEGBXBNGWSXQQ-UHFFFAOYSA-N	213.063	3.045	50	40	BGGB	
FC(F)(F)c1cccc(CNCCCl)c1	1667990	UPSQTJJHUIVGMF-UHFFFAOYSA-N	237.652	3.034	50	40	BGGB	
FC(F)(F)c1ccnc(Cl)c1CCl	95761956	QFTGMSXPYAROHP-UHFFFAOYSA-N	230.016	3.493	50	40	BGGB	
O=CN/N=C/c1cc2ccccc2c2ccccc12	1680305	ZDOWTIGGZSTDPF-LICLKQGHSA-N	248.285	3.073	50	40	BGGB	
Cc1cc(CBr)c2ccccc2n1	54711014	STFAUTYDNFEXJW-UHFFFAOYSA-N	236.112	3.438	50	40	BGGB	
O=C(CCl)c1ccc2c(c1)CCCCC2	57515389	FPQLCAIMAVAYLP-UHFFFAOYSA-N	222.715	3.377	50	40	BGGB	
Cl[C@H](c1ccccc1)c1ccncc1	165574	CPPXBZIVPVVUSG-GFCCVEGCSA-N	203.672	3.410	50	40	BGGB	
O=C(Cl)c1ccc(OC(F)(F)F)c(F)c1	39712910	VRBPADDPEPISOW-UHFFFAOYSA-N	242.555	3.103	50	40	BGGB	
SCP(c1ccccc1)c1ccccc1	72399763	IGEZSSBBLDNMPJ-UHFFFAOYSA-N	232.288	3.007	50	40	BGGB	in-vitro
CC[C@H](Cl)C(=O)c1ccc(F)cc1F	307675813	GCBPRBMQKJIMAO-QMMMGPOBSA-N	218.630	3.165	50	40	BGGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)C1CCCCC1	4156344	BJHAKTSLZYFPCJ-FEZJNQRGSA-N	248.370	3.105	50	40	BGGB	
CCOC(=O)[C@@H](Cl)c1cccc(Cl)c1	50978473	KMCKFHQUZUANLB-VIFPVBQESA-N	233.094	3.183	50	40	BGGB	in-vitro
CC(C)CCOc1cccc(C(=O)Cl)c1	95739813	YBNKBQHUMKPEBH-UHFFFAOYSA-N	226.703	3.491	50	40	BGGB	
CCCCCC[C@@]1(C)OC[C@@H](CCl)O1	1676840	AMTFVXCQVSYQLD-MNOVXSKESA-N	220.740	3.327	50	40	BGGB	
Fc1ccc(-c2nc(CCl)co2)cc1	12505762	GVPZSTFLDSJXRT-UHFFFAOYSA-N	211.623	3.220	50	40	BGGB	in-vitro
O=C(Cl)Cc1c(Cl)cccc1Cl	2574152	VFRDBQGBQYINBH-UHFFFAOYSA-N	223.486	3.301	50	40	BGGB	in-vitro
Cl[C@H]1C[C@@H](Cl)[C@@H](Cl)C[C@H]1Cl	100933476	WCKYEVXZTBRMIY-GUCUJZIJSA-N	221.942	3.210	50	40	BGGB	
CCc1ccc(OCCBr)cc1	3881169	LYBYKJDNILLAHA-UHFFFAOYSA-N	229.117	3.023	50	40	BGGB	
Fc1ccc2sc(CCl)nc2c1F	45236908	SDWAGGZVXUGGBW-UHFFFAOYSA-N	219.643	3.313	50	40	BGGB	
C[C@@H](Cl)C(=O)c1cc(F)cc(Cl)c1	238425554	USNAHJPETWUKCX-RXMQYKEDSA-N	221.058	3.289	50	40	BGGB	
N#CC(C#N)=Cc1ccccc1OC(F)(F)F	165231	DXODVZSJFKMLRA-UHFFFAOYSA-N	238.168	3.016	50	40	BGGB	
CCCOc1cc(C)c(C(=O)Cl)c(C)c1	83181798	ULEPDYFCGAHXNW-UHFFFAOYSA-N	226.703	3.471	50	40	BGGB	
CN(C)/C=C(/C#N)c1cccc(C(F)(F)F)c1	12338935	BGTHQANSTMIOOQ-NTMALXAHSA-N	240.228	3.131	50	40	BGGB	
C[C@@H](CBr)CCCBr	1641738	UTNRTAHSAPJDBX-ZCFIWIBFSA-N	243.970	3.193	50	40	BGGB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1CCl	2382394	JWFRBTUSUAFGOS-UHFFFAOYSA-N	239.580	3.352	50	40	BGGB	
O=C(Cl)c1cccc(-c2ccccc2)n1	98213505	OPYJKTJNVOXHCY-UHFFFAOYSA-N	217.655	3.128	50	40	BGGB	
O=C(CCCCl)c1ccccc1F	2392791	VOCPYEWBWOAVGP-UHFFFAOYSA-N	200.640	3.027	50	40	BGGB	
O=C(CCl)N1c2ccccc2[C@H]2CCCC[C@@H]21	226233609	RDJCASPWJMTSNY-YPMHNXCESA-N	249.741	3.298	50	40	BGGB	
CCOC(=O)/C(C#N)=C1\C[C@@H]2CC[C@@]1(C)C2(C)C	13151723	ARVCOWFLQDTTAV-XYPHQRMTSA-N	247.338	3.216	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C/c1cccnc1Cl	96315907	IPBDAYJXPFGYQI-JXMROGBWSA-N	248.713	3.257	50	40	BGGB	
CCN(C(=O)CCl)c1cccc(C(C)C)c1	228917751	SXNJGSARAJUTKM-UHFFFAOYSA-N	239.746	3.402	50	40	BGGB	
Cc1cc(C)c(NC(=O)[C@@H](C)Cl)c(C)c1	3379290	WKCAZHBXIHNJAB-SNVBAGLBSA-N	225.719	3.178	50	40	BGGB	in-vitro
C[C@H](Br)CCc1ccccc1	57214426	BVPCLVMIRNEUBW-VIFPVBQESA-N	213.118	3.403	50	40	BGGB	in-vitro
NP(=O)(Nc1ccccc1)Nc1ccccc1	104338488	MGBGAIFTONXTJA-UHFFFAOYSA-N	247.238	3.277	50	40	BGGB	
FC(F)(F)O[C@@H]1CCC[C@@H](Br)C1	952958870	ZSYIMROQPANBJX-PHDIDXHHSA-N	247.054	3.229	50	40	BGGB	
Cc1cc(C)c(C)c(C(=O)CCl)c1C	3379312	MYXVCQGMHOQBLZ-UHFFFAOYSA-N	210.704	3.342	50	40	BGGB	
O=C(CCCCl)c1cc(F)ccc1F	36159853	MCKOYDSNCWNCHG-UHFFFAOYSA-N	218.630	3.167	50	40	BGGB	
N#CSc1ccc(-c2ccc(C=O)o2)cc1	45946555	LKRJEDIOCDTWTH-UHFFFAOYSA-N	229.260	3.332	50	40	BGGB	
ClCCCCCCN1CCCCC1	34160053	UQHRNDLEKMMRFK-UHFFFAOYSA-N	203.757	3.272	50	40	BGGB	
C[C@@H]1C[C@@H](Cl)CC[C@@H]1C(=O)OC(C)(C)C	8586491	APMORJJNVZMVQK-UTLUCORTSA-N	232.751	3.372	50	40	BGGB	biogenic,in-vitro
ClCc1sc(Cl)nc1Cl	34121756	WEBHZGJGUZLJOM-UHFFFAOYSA-N	202.493	3.189	50	40	BGGB	
O=C(CCCCl)c1ccc(F)c(F)c1	36159847	DAAXZVRLYFWHNE-UHFFFAOYSA-N	218.630	3.167	50	40	BGGB	
N#CC1=C(C(=O)Nc2cccc(Cl)c2)CCC1	89774648	SOECPHYYASZGBZ-UHFFFAOYSA-N	246.697	3.283	50	40	BGGB	
CC(C)(C)[Si](C)(C)OCc1cnc(N)s1	201434249	QRMXUHUAXJBDLO-UHFFFAOYSA-N	244.436	3.247	50	40	BGGB	in-vitro
CC[C@H](Cl)C(=O)c1cc(F)c(OC)cc1F	309194556	RSBFAOHAXPWCMG-ZETCQYMHSA-N	248.656	3.174	50	40	BGGB	
CCCCC/C(=N\NC(N)=O)C1=CCCCC1	4983885	RXYWLKDGFVKFRZ-NTCAYCPXSA-N	237.347	3.091	50	40	BGGB	
O=c1cc(CCl)c2ccc(Cl)cc2o1	39757609	YIHVEKZPJLNZDZ-UHFFFAOYSA-N	229.062	3.185	50	40	BGGB	
C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)OCC)C1	96124664	GNPVVRNPTBDBLP-QTQPHVRFSA-N	236.315	3.021	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cc(F)cc(F)c1	307249346	OIEJRMZLDPBHMY-SECBINFHSA-N	218.630	3.165	50	40	BGGB	
CC(C)=NNC(=O)c1ccc(C(C)(C)C)cc1	5382939	YFZNOYMXSJOUMA-UHFFFAOYSA-N	232.327	3.110	50	40	BGGB	
CCc1ccc(NC(=O)CCCCl)cc1	6124100	MKWLVCUNCRWZDZ-UHFFFAOYSA-N	225.719	3.207	50	40	BGGB	
CC[C@@H](C)c1ccc(OCC(=O)Cl)cc1	6541004	BEAHLMSPOYPRII-SECBINFHSA-N	226.703	3.344	50	40	BGGB	
CC1=C/C(=N/O)C=C/C1=C(/C#N)c1ccccc1	104257817	USQBNZUXODUGMS-XIVMRQBWSA-N	236.274	3.310	50	40	BGGB	
CCCCCCC(=O)N/N=C/Cc1ccccc1	4647031	RLDWKXDIBOORNR-DTQAZKPQSA-N	246.354	3.302	50	40	BGGB	
Fc1ccc2c(CCBr)c[nH]c2c1	38841865	ZLWFSTBZPKLELA-UHFFFAOYSA-N	242.091	3.244	50	40	BGGB	
CC(C)C(CBr)CBr	1638467	SCZAFPCUFVOMAT-UHFFFAOYSA-N	243.970	3.048	50	40	BGGB	
CC(C)(C)C1C[C@@H](Cl)C(=O)[C@H](Cl)C1	1725772	YMUAIEVPXWTMPQ-HTQZYQBOSA-N	223.143	3.226	50	40	BGGB	
Cc1ccc(-c2nc(CCl)no2)cc1C	26514894	JXWIVKZNPVUCNF-UHFFFAOYSA-N	222.675	3.092	50	40	BGGB	
CCC[C@@H](NC(=O)[C@H](C)Cl)c1ccccc1	3349676	LCCLCMWOMXHIQV-CMPLNLGQSA-N	239.746	3.271	50	40	BGGB	
COc1cccc(-c2cc(CCl)no2)c1	20315408	IVUMVFLYCYHAFY-UHFFFAOYSA-N	223.659	3.089	50	40	BGGB	in-vitro
CC(C)(CCl)C(=O)c1ccc(F)c(C#N)c1	309219034	NGYMDICZOZIDFJ-UHFFFAOYSA-N	239.677	3.145	50	40	BGGB	
CCCCOC[C@@H](Br)C(F)(F)F	82863695	VFUBGZJZSIYFOG-ZCFIWIBFSA-N	249.070	3.129	50	40	BGGB	
CCO[Si](C)(CCC(F)(F)F)OCC	169806576	VJYNTADJZPKUAF-UHFFFAOYSA-N	230.302	3.084	50	40	BGGB	
COc1ccc(CCl)cc1Br	4218294	LGROUIFCRUBNIJ-UHFFFAOYSA-N	235.508	3.197	50	40	BGGB	
Cl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C=C[C@H]43)[C@@H]12	104279451	XHVCLSVMXDWLKI-PUPQBGGTSA-N	227.134	3.065	50	40	BGGB	
Cc1ccc(-c2ccccc2NC(=O)CCl)o1	510443	OGPBLZDHOJMBPT-UHFFFAOYSA-N	249.697	3.432	50	40	BGGB	
CCCCOc1ccccc1C=C(C#N)C#N	7261999	ZIYMZPXFCMQCMA-UHFFFAOYSA-N	226.279	3.296	50	40	BGGB	
Cc1ccccc1-c1ccnn1CCCl	96527660	HEJRSLUDAJDMPW-UHFFFAOYSA-N	220.703	3.097	50	40	BGGB	
ClCc1cc(Cl)c2c(c1)OCCCO2	4206554	LNFCBUZYKZEFBB-UHFFFAOYSA-N	233.094	3.240	50	40	BGGB	
CC[C@@H](Oc1ccc(C)cc1C)C(=O)Cl	36720620	VFSGLRKUPCJUDI-SNVBAGLBSA-N	226.703	3.226	50	40	BGGB	
CCOc1c(Cl)ccc(C(=O)Cl)c1F	91252002	XTWYKHZMPKQVSM-UHFFFAOYSA-N	237.057	3.257	50	40	BGGB	
CC(C)(CCl)C(=O)c1cccc(F)c1	307087351	RLUDZEUMQOYNGH-UHFFFAOYSA-N	214.667	3.273	50	40	BGGB	
N#CSCc1cccc(C(F)(F)F)c1	36533346	JHTBLMZEALXNCD-UHFFFAOYSA-N	217.215	3.420	50	40	BGGB	
CC[C@H](Cl)C(=O)c1cc(F)ccc1F	71423611	IDLOMHDDQHGAIU-QMMMGPOBSA-N	218.630	3.165	50	40	BGGB	
COc1c(C)c(C)c(OC)c2c1C[C@H]2Cl	3848175	NJIMRIZLROIIKY-SECBINFHSA-N	226.703	3.157	50	40	BGGB	biogenic
CC1=CC(=C(C#N)C#N)C=C(C)N1CC(C)C	6308922	RSGLOCZSHILKLM-UHFFFAOYSA-N	227.311	3.109	50	40	BGGB	
CC(C)c1ccccc1NC(=O)[C@H](C)Cl	12504898	HXYOWXKMMPIHRX-VIFPVBQESA-N	225.719	3.376	50	40	BGGB	in-vitro
CCN(CC)c1ccc(C(=O)[C@H](C)Cl)cc1	36202991	YMQZIPHPICMRDO-JTQLQIEISA-N	239.746	3.343	50	40	BGGB	
Clc1ccc(C#CCBr)cc1	95631816	NHGQPCNDWQQVQJ-UHFFFAOYSA-N	229.504	3.086	50	40	BGGB	in-vitro
Cn1c2c(c3ccccc31)C(Cl)=C(C=O)CC2	165590	LREREXKWGCANDA-UHFFFAOYSA-N	245.709	3.273	50	40	BGGB	
Cc1cccc(-c2nnc([C@@H](C)Cl)o2)c1	4207073	CRIYFDWVUKKTIA-MRVPVSSYSA-N	222.675	3.345	50	40	BGGB	in-vitro
CCCCCC/C=N/NC(=O)c1ccc(C)o1	8444154	GTAITKRIYUOEFG-GXDHUFHOSA-N	236.315	3.274	50	40	BGGB	
C/C(C=C(C#N)C#N)=C\c1ccc(F)cc1	8653344	CRBUKOFRHAJRAS-UXBLZVDNSA-N	212.227	3.203	50	40	BGGB	
Cc1ccc(/C=C(/C#N)C(=O)C(C)C)cc1C	40139968	LCOHPIQQHCENGS-ZSOIEALJSA-N	227.307	3.436	50	40	BGGB	
CC(C)(F)[C@@H](Br)C(F)(F)F	66329363	QPOXETOPFSJYBI-GSVOUGTGSA-N	223.007	3.060	50	40	BGGB	
CC(C)(C)OC(=O)NN=C1CCCCCC1	5163718	VZEAFYSZFSQSIW-UHFFFAOYSA-N	226.320	3.221	50	40	BGGB	
Cc1ccc(NNC(=O)c2ccccc2C)cc1	6204824	MBERTJMSUOHAHH-UHFFFAOYSA-N	240.306	3.060	50	40	BGGB	
N#C/C(=C1\CCCCN1)c1ccc(Cl)cc1	96511649	NYVGJPPGRKHBHV-SEYXRHQNSA-N	232.714	3.348	50	40	BGGB	
C1CCN(SSN2CCCCC2)CC1	501435	FAEFMMUOKVKFBE-UHFFFAOYSA-N	232.418	3.170	50	40	BGGB	
N#C/C=C/Nc1cc(Cl)cc(Cl)c1	100394982	UYQNIVWDDDRFKP-HNQUOIGGSA-N	213.067	3.443	50	40	BGGB	
CCOc1ccc2nc(CCl)sc2c1	84199098	SXDVDJBBFNMSQW-UHFFFAOYSA-N	227.716	3.434	50	40	BGGB	
FC(F)(F)C(F)(F)[C@H](Cl)CCl	103527195	JBMGPSNIVOTZGW-UWTATZPHSA-N	216.964	3.030	50	40	BGGB	
ClC1=C(Cl)[C@H](Cl)[C@@H]2C=C[C@@H]1C2	104110634	UGUAONIQSWORNO-HSUXUTPPSA-N	209.503	3.489	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1ccc(C)s1	307230840	DBWIBLNRKDDVJS-SSDOTTSWSA-N	202.706	3.257	50	40	BGGB	
C[C@H](NC(=O)CCl)c1ccc2ccccc2c1	3394856	MAHFOVBBNTZWJX-JTQLQIEISA-N	247.725	3.256	50	40	BGGB	
O=C(CCl)c1c[nH]c2cc(Cl)ccc12	20269452	FHKQFVXQSBBKPL-UHFFFAOYSA-N	228.078	3.243	50	40	BGGB	
O=[N+]([O-])c1ccc(C(Cl)Cl)cc1	139462	KWWRZTBCOVYCIU-UHFFFAOYSA-N	206.028	3.071	50	40	BGGB	
CCCCNC(=O)Nc1ccc(SC#N)cc1	2654191	OENJOFKHEWREDA-UHFFFAOYSA-N	249.339	3.181	50	40	BGGB	
CCOC(=O)/C(C#N)=C1\C[C@H]2C[C@H]1[C@H](C)C2(C)C	100489203	BSAGGPIZZBRQIX-UVBZYVEGSA-N	247.338	3.072	50	40	BGGB	
C/C(CC(C)C)=N\NC(=O)c1cccc(C)c1	4117818	UETSPBIRUTWLDO-NTCAYCPXSA-N	232.327	3.147	50	40	BGGB	
S=C=NCc1ccc(Br)cc1	1723112	LJLVCPAZYKYXCH-UHFFFAOYSA-N	228.114	3.052	50	40	BGGB	in-vitro
CCc1ccc(CCBr)cc1	60712467	FWBJWFXOZYZDDZ-UHFFFAOYSA-N	213.118	3.186	50	40	BGGB	
CC(C)(C)OC[C@H](Br)C(F)(F)F	82863664	MGOIMGJQHFAXEH-YFKPBYRVSA-N	249.070	3.127	50	40	BGGB	
C[C@@]12CC[C@H](C/C1=N/O)[C@@]2(C)CBr	100320138	AWBFTBBHLBKDMO-CQHDJKIWSA-N	246.148	3.038	50	40	BGGB	
CC(C)C(=O)c1ccc(CBr)cc1	113987874	DGHDHWFHJPGAGC-UHFFFAOYSA-N	241.128	3.420	50	40	BGGB	
Cc1ccc(C2(C(=O)Cl)CCC2)cc1	228958633	GHKXVYWGUBLCTI-UHFFFAOYSA-N	208.688	3.182	50	40	BGGB	
NCCCCCCCCCCBr	2510859	OIAQZSMKVZLTJC-UHFFFAOYSA-N	236.197	3.461	50	40	BGGB	in-vitro
ClCCCCCNC1CCCCC1	1685335	IIZFWGANAVNZBP-UHFFFAOYSA-N	203.757	3.318	50	40	BGGB	
CC[C@@H](C)[C@@H]1CCCC[C@@H]1OC(=O)CCl	4896121	RGBMXRHDGBCMQK-VWYCJHECSA-N	232.751	3.373	50	40	BGGB	
FC(F)(F)c1cccc(CN=C=S)c1	19840552	ROXHCSQEJLPTSB-UHFFFAOYSA-N	217.215	3.308	50	40	BGGB	in-vitro
O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1-2	34513470	JBRNPQQJXTWYSA-UHFFFAOYSA-N	242.661	3.277	50	40	BGGB	
CC(=O)OCC[C@]12CC[C@@H](C[C@@H]1Cl)C2(C)C	104037923	YWOJGNWRTPVBLC-GMXVVIOVSA-N	244.762	3.373	50	40	BGGB	
CCCCC/C=N/NC(=O)OC(C)(C)C	35973436	GRNJDWCRYYEDAX-FMIVXFBMSA-N	214.309	3.077	50	40	BGGB	
O=C/C(=C/c1ccccc1)c1ccccc1	1660003	JYVONCAJVKBEGI-PTNGSMBKSA-N	208.260	3.426	50	40	BGGB	
O=C(CCl)c1ccccc1C(F)(F)F	8731393	FQJIOBRLCCDFAQ-UHFFFAOYSA-N	222.593	3.127	50	40	BGGB	
ClCc1nc2ccc(Br)cc2o1	40448096	RLVYPVDIOCNSDL-UHFFFAOYSA-N	246.491	3.329	50	40	BGGB	
Fc1cccc2sc(CCl)nc12	45236910	PMUFBFBTHMNZEO-UHFFFAOYSA-N	201.653	3.174	50	40	BGGB	
CC(C)(CCl)C(=O)c1ccc(C#N)c(F)c1	381538182	HLGQMVGTQMQDDD-UHFFFAOYSA-N	239.677	3.145	50	40	BGGB	
C[C@@]1(c2ccc(Cl)cc2)OC[C@H](CCl)O1	1689328	VPUGDBJUIQBLND-WDEREUQCSA-N	247.121	3.167	50	40	BGGB	
C[C@H](Cl)C(=O)Nc1ccc(Cl)cc1F	12504904	AOFHXTGYYFGIRP-YFKPBYRVSA-N	236.073	3.045	50	40	BGGB	
N#CC1=C(/C=N\c2ccccc2O)CCC1	13116121	QKFDBUSVSBMXRI-DHDCSXOGSA-N	212.252	3.099	50	40	BGGB	
Cc1ccc(Cl)cc1C#CCBr	95631729	JVQNHUNIFZUYKJ-UHFFFAOYSA-N	243.531	3.395	50	40	BGGB	
COC(=O)CCCSSC(C)(C)C	1626934	IZWVWLPLSYNEHI-UHFFFAOYSA-N	222.375	3.120	50	40	BGGB	
C[C@@]12CCCC[C@@H]1CC[C@H](Br)C2=O	5104374	PMLLVFFVWVCOFH-WCABBAIRSA-N	245.160	3.309	50	40	BGGB	
CN(CCCl)C[C@@H](Cl)c1ccccc1	6437461	KUSNCWLQRVMIRN-LLVKDONJSA-N	232.154	3.137	50	40	BGGB	
Fc1ccc(SCCBr)cc1	19505251	JQLPZBNYQCHXSI-UHFFFAOYSA-N	235.121	3.313	50	40	BGGB	
CCOC(=O)[C@@H](C)c1ccc(CCl)cc1	34597833	LJRSKOFNPMYRSO-VIFPVBQESA-N	226.703	3.092	50	40	BGGB	in-vitro
C[C@@H]1Cc2cc(CCl)cc(Cl)c2O1	32625233	BWNOBYIFQYAFPW-ZCFIWIBFSA-N	217.095	3.402	50	40	BGGB	in-vitro
CC(C)Oc1ccc(CBr)cc1	36894659	KXZAPWUMPOPYFR-UHFFFAOYSA-N	229.117	3.369	50	40	BGGB	
Clc1cnc(Cl)c(CBr)c1	98181014	AXRGOUSOCZYFQQ-UHFFFAOYSA-N	240.915	3.283	50	40	BGGB	
Cc1cc(Cl)ccc1NC(=O)CCCl	1671445	WTIBWAVBYMIFCW-UHFFFAOYSA-N	232.110	3.216	50	40	BGGB	
CCC[C@H](NC(=O)[C@H](C)Cl)c1ccccc1	3349674	LCCLCMWOMXHIQV-JQWIXIFHSA-N	239.746	3.271	50	40	BGGB	
O=C(CCCCCl)c1ccnc(Cl)c1	43210609	PXUXEQAHOWHVPI-UHFFFAOYSA-N	232.110	3.327	50	40	BGGB	
Fc1cccc(Cl)c1CCBr	54711040	UQLXEUYWJITHCR-UHFFFAOYSA-N	237.499	3.417	50	40	BGGB	in-vitro
N#C/C(=C\O)c1ccc(Cl)cc1Cl	100465044	JYYKWIXMUMUGGD-AATRIKPKSA-N	214.051	3.416	50	40	BGGB	
O=c1c(CCCl)cocc1-c1ccccc1	143025658	GYPGOIVTUZTPNT-UHFFFAOYSA-N	234.682	3.088	50	40	BGGB	
CCNC(C)(C)[C@H](Cl)c1cccs1	1725113	ICMVRBVZOGGNAP-SECBINFHSA-N	217.765	3.416	50	40	BGGB	
O=[N+]([O-])c1cccc2c(CCl)cccc12	1733819	PHZIJSANQGZNPP-UHFFFAOYSA-N	221.643	3.487	50	40	BGGB	
COc1ccc(C(=O)CCCCl)cc1F	9237775	KGIAFMVQPSBGJB-UHFFFAOYSA-N	230.666	3.036	50	40	BGGB	
Cc1cncc(Oc2ccc(CCl)cc2)n1	12370736	SIBSXPKNEXNSKN-UHFFFAOYSA-N	234.686	3.316	50	40	BGGB	
O=C/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	15417211	KIYADVZVUKOJLP-ONEGZZNKSA-N	243.218	3.067	50	40	BGGB	
N#Cc1ccc(N/N=N/CCCCCl)cc1	17127198	KYQRMHWFNQEZNB-UHFFFAOYSA-N	236.706	3.356	50	40	BGGB	
Cc1cccc2c1SCCC2=C(C#N)C#N	1700926	HGUOSZBUGKAIEN-UHFFFAOYSA-N	226.304	3.292	50	40	BGGB	
CC[C@H](C)[C@H]1CCCC[C@@H]1OC(=O)CCl	4896124	RGBMXRHDGBCMQK-AXFHLTTASA-N	232.751	3.373	50	40	BGGB	
CCOc1ccc(-c2nc(CCl)co2)cc1	37933907	GYMFXJDUERCVIF-UHFFFAOYSA-N	237.686	3.479	50	40	BGGB	in-vitro
CCCCC(=O)N/N=C(\C)c1ccc(C)c(C)c1	4155749	FWRUECWHLFPLCC-DTQAZKPQSA-N	246.354	3.334	50	40	BGGB	
COc1ccc([C@H]2C[C@H](C)C=C(C#N)O2)cc1	4267779	QAMQRVKEZVQORK-QMTHXVAHSA-N	229.279	3.200	50	40	BGGB	biogenic
CCCC[C@H](CC)[C@H]1OC[C@H](CCl)O1	4904068	VXTBURWDRVNELN-DCAQKATOSA-N	220.740	3.183	50	40	BGGB	
COc1cccc(CCCCBr)c1	70791578	ZDYSZJCJYZSFRL-UHFFFAOYSA-N	243.144	3.413	50	40	BGGB	
N#C/C(=C\Nc1ccc(O)cc1)c1ccccc1	13405781	BZOZJNZKJXFUQF-ACCUITESSA-N	236.274	3.369	50	40	BGGB	
O=C(CCCCBr)c1ccccc1	38339842	GTKCKNUHLNENQG-UHFFFAOYSA-N	241.128	3.435	50	40	BGGB	
O=C(CCCl)OC12CC3CC(CC(C3)C1)C2	408733320	XKCMWWCFVDBLQX-UHFFFAOYSA-N	242.746	3.127	50	40	BGGB	
Cc1cc(Cl)nc(Cl)c1CCCl	225864	AAHINBVOJDEFER-UHFFFAOYSA-N	224.518	3.478	50	40	BGGB	
CCOC(=O)/C(C#N)=C1\C[C@H]2CC[C@]1(C)C2(C)C	507060	ARVCOWFLQDTTAV-LCQUZILDSA-N	247.338	3.216	50	40	BGGB	
CC/C(C)=C(\C#N)c1nc2ccccc2[nH]1	11535779	IKPCEDDUAVKNNW-MDZDMXLPSA-N	211.268	3.270	50	40	BGGB	
CCN(CC)P(Cl)c1ccc(OC)cc1	100325353	VDNVHPURWAHCEL-UHFFFAOYSA-N	245.690	3.213	50	40	BGGB	
N#CSc1ccc(N2CCCCC2)cc1	794005	VPYSMNHNVDTEES-UHFFFAOYSA-N	218.325	3.250	50	40	BGGB	
CC(C)c1ccc([C@@H]2OC[C@H](CCl)O2)cc1	1677034	KVSVMFVAEKFMTO-QWHCGFSZSA-N	240.730	3.463	50	40	BGGB	
ClCc1nc(Cl)c2ccsc2n1	20358147	SEMYRGBWYGGIPZ-UHFFFAOYSA-N	219.096	3.084	50	40	BGGB	
COc1ccc2cc(C(=O)CCl)ccc2c1	37631275	KKZWRHDZLNEUSU-UHFFFAOYSA-N	234.682	3.270	50	40	BGGB	
COc1ccc2sc(CCl)nc2c1	45235680	LEFZQVCYAYXINQ-UHFFFAOYSA-N	213.689	3.044	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cc(F)c(F)cc1F	308803050	MZCOMUKYIKNBGN-ZCFIWIBFSA-N	236.620	3.304	50	40	BGGB	
C[C@H]1CCC/C(=N\NC(=O)c2cccs2)C1	4507897	BLKDAGGYWZWOQA-CVZWZAMJSA-N	236.340	3.044	50	40	BGGB	
CC(C)=NNC(=O)c1cccc(Cl)c1Cl	32578427	SWLJPHJHKQRUKQ-UHFFFAOYSA-N	245.109	3.119	50	40	BGGB	
N#Cc1ccc(CBr)c2cccnc12	146915081	QCVUVZIMENOWLR-UHFFFAOYSA-N	247.095	3.001	50	40	BGGB	
N#CC(C#N)=C(C#N)c1cccc2ccccc12	258836787	PQQQLHBFDFUKAR-UHFFFAOYSA-N	229.242	3.164	50	40	BGGB	
COc1ccccc1-c1oncc1CCl	409423058	OBOHINOLHVBRSD-UHFFFAOYSA-N	223.659	3.089	50	40	BGGB	
N#C/C(=C\c1cccnc1)c1nc2ccccc2[nH]1	4235601	FFRPRCXHZNQCIA-XYOKQWHBSA-N	246.273	3.022	50	40	BGGB	
Cc1cccc2c(CCBr)c[nH]c12	77596329	KLNKXFYNWAMYJO-UHFFFAOYSA-N	238.128	3.414	50	40	BGGB	
Cc1ccc2c(C(=O)Cl)cc(C)nc2c1	685937652	WCZVVNJXKBEJHD-UHFFFAOYSA-N	219.671	3.231	50	40	BGGB	
Cc1cccc(C(=O)[C@@H](C)Cl)c1Cl	238427337	VASCTUOFYSORQY-SSDOTTSWSA-N	217.095	3.458	50	40	BGGB	
Cc1ccc(C(=O)CCCCl)c(F)c1	308466998	ZEFSNOXLQRGPBN-UHFFFAOYSA-N	214.667	3.336	50	40	BGGB	
COc1cc(C)c(CCl)cc1CCl	4273479	QFTHZNYUXGPSHL-UHFFFAOYSA-N	219.111	3.481	50	40	BGGB	biogenic
CC(C)(C)C1C[C@H](Cl)C(=O)[C@@H](Cl)C1	1725773	YMUAIEVPXWTMPQ-YUMQZZPRSA-N	223.143	3.226	50	40	BGGB	
CC(C)c1csc(CBr)n1	96528187	VCMVMMBPKAHJHO-UHFFFAOYSA-N	220.135	3.161	50	40	BGGB	
Cc1ccccc1O[C@H](C)CBr	41250841	XKZPWAGHFCIMHO-SECBINFHSA-N	229.117	3.157	50	40	BGGB	
Cc1ccc(C)c(CCBr)c1	60712459	SZXOBNVFLIZUAX-UHFFFAOYSA-N	213.118	3.241	50	40	BGGB	
Cc1nc(C(C)(C)C)sc1C(=O)Cl	44676394	NLCMINPHNHWHCU-UHFFFAOYSA-N	217.721	3.128	50	40	BGGB	
Fc1cc(CCl)c(F)cc1Br	70022859	CFKOAKUGTZXSTR-UHFFFAOYSA-N	241.462	3.466	50	40	BGGB	
O=C(CCl)c1ccc2c(c1)SCCS2	2525501	VBXUCKQKYMNERX-UHFFFAOYSA-N	244.768	3.306	50	40	BGGB	
N#C/C(=C/c1ccc(O)c(O)c1)c1ccccc1	409366391	UUDLANULWQCWAS-JYRVWZFOSA-N	237.258	3.162	50	40	BGGB	
O=C(N/N=C/[C@@H]1CC=CCC1)C1CCCCC1	6691812	RNPLJVKWWSKAOI-PKVLTRFUSA-N	234.343	3.025	50	40	BGGB	
CN(C(=S)Cl)c1ccc(Cl)cc1	2506713	OPKGEGFTMBPCTO-UHFFFAOYSA-N	220.124	3.300	50	40	BGGB	
ClCc1noc(-c2ccccc2Cl)n1	20281007	RYRIXIFYINOGIR-UHFFFAOYSA-N	229.066	3.129	50	40	BGGB	in-vitro
CC(C)(C)C(=O)/C(C#N)=C(\O)Nc1ccccc1	100073233	VVDLDGLXRKPRQN-QBFSEMIESA-N	244.294	3.007	50	40	BGGB	
CN(C)/C=C\C(=C\C=C(C#N)C#N)c1ccccc1	35188502	AXBLXHKZMRFURK-GZXRQVPXSA-N	249.317	3.119	50	40	BGGB	
CCC(C)(C)C1CCC(=NNC(C)=O)CC1	5524369	VPIVJMOUNFPLGF-UHFFFAOYSA-N	224.348	3.105	50	40	BGGB	
Cc1cc2cc(CN=C=S)ccc2[nH]1	26422317	JJFUZUQJWWTFTG-UHFFFAOYSA-N	202.282	3.079	50	40	BGGB	
CC(C)(CCl)C(=O)c1ccc(C#N)cc1	308801086	MNHQNNSSRDREMW-UHFFFAOYSA-N	221.687	3.006	50	40	BGGB	
O=C(CCl)OCCCC1CCCCC1	6760938	BSSMXZPBQUYCMY-UHFFFAOYSA-N	218.724	3.129	50	40	BGGB	
C[C@@H](Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1	37389559	XIJGFEZWEDLLRX-HTQZYQBOSA-N	246.137	3.145	50	40	BGGB	
CCc1cc(C(=O)Cl)c2cccc(C)c2n1	685937737	YTQYZRLNMCKTHA-UHFFFAOYSA-N	233.698	3.485	50	40	BGGB	
CCC[C@H](/C(C)=N/NC(N)=O)C1CCCCC1	5084725	UOQGTWPGZLBVHU-JXCQQFQQSA-N	239.363	3.027	50	40	BGGB	
COc1cc(F)c(F)cc1CCCCl	199543058	KFFMSYTWRYMKEA-UHFFFAOYSA-N	220.646	3.145	50	40	BGGB	
N#CC(C#N)=Cc1ccc(-c2ccccc2C#N)o1	780660	KAQOZOUQVJAGRU-UHFFFAOYSA-N	245.241	3.249	50	40	BGGB	
CC1(C)[C@@H]2CC[C@]1(C)[C@@]1(C2)OC[C@H](CCl)O1	100370953	VANNDJWVQQQRBO-URBCHYCLSA-N	244.762	3.183	50	40	BGGB	
COc1ccc(/C(C#N)=C\c2ccccn2)cc1	4962003	CJMIMAFVXQSAKG-RAXLEYEMSA-N	236.274	3.154	50	40	BGGB	
CC[C@H](NC(=O)CCl)c1ccc(Cl)cc1	12505718	WDGQEEFEABQVJJ-JTQLQIEISA-N	246.137	3.146	50	40	BGGB	
CCCCCN(C(=O)CCl)c1ccccc1	1586562	IXCDVTOZFRHSFM-UHFFFAOYSA-N	239.746	3.449	50	40	BGGB	
C[C@@H]1[C@H]2C[C@H](C[C@@]23OC[C@H](CCl)O3)C1(C)C	4577808	ARRMJBMUKXIDRB-HMUNZLOLSA-N	244.762	3.039	50	40	BGGB	
CC(C)(C)P(c1ccccc1)c1ccncc1	53386879	UXGURXBENKFKRQ-UHFFFAOYSA-N	243.290	3.313	50	40	BGGB	
Fc1cc(F)cc(C#CCCCCl)c1	95631919	NQESJRADJMDLHT-UHFFFAOYSA-N	214.642	3.335	50	40	BGGB	
COC(=O)O[C@@H](Cl)c1ccccc1Cl	3080900	CIGQPTJHJSGVPF-MRVPVSSYSA-N	235.066	3.360	50	40	BGGB	
Cc1cc(-c2noc([C@H](C)Cl)n2)ccc1F	34972897	WVSHKIGAYPPUFM-ZETCQYMHSA-N	240.665	3.484	50	40	BGGB	in-vitro
Fc1cccc(CN2CCC(CCl)CC2)c1	79439659	LGFRRJRIDBYLGZ-UHFFFAOYSA-N	241.737	3.277	50	40	BGGB	
Cc1ccc(C(=O)[C@@H](C)Cl)cc1Cl	238426310	AMVPMPIEDRISSB-SSDOTTSWSA-N	217.095	3.458	50	40	BGGB	
Cc1ccccc1NC(=O)[C@](C)(Cl)CCl	4852090	MHXGZDSJXYIEOG-LLVKDONJSA-N	246.137	3.170	50	40	BGGB	
CC[C@H](C)OC[C@H](Br)C(F)(F)F	685967408	MZXVHKBDADOTNA-WDSKDSINSA-N	249.070	3.127	50	40	BGGB	
O=C(N/N=C/C1CCCCC1)c1cccs1	4796401	IXCNIBDJYVDKFA-UKTHLTGXSA-N	236.340	3.044	50	40	BGGB	
CC[C@H](C)[C@@H]1CCCC[C@@H]1OC(=O)CCl	4896122	RGBMXRHDGBCMQK-DCAQKATOSA-N	232.751	3.373	50	40	BGGB	
FC(F)(F)c1cc(CCl)cc(Cl)n1	95761678	CEVOGYALNLXSDW-UHFFFAOYSA-N	230.016	3.493	50	40	BGGB	
C/C(C=C(C#N)C#N)=C/c1ccc(C)cc1	6486992	GYXLYHVENAZWKL-GHXNOFRVSA-N	208.264	3.372	50	40	BGGB	
C[C@@H]1CCCCN1c1ccc(C=C(C#N)C#N)o1	9239539	HKOPAEVODDKJOW-LLVKDONJSA-N	241.294	3.089	50	40	BGGB	
N#CC(C#N)=Cc1csc2ccccc12	345298	NXJZSVMEPFBYPC-UHFFFAOYSA-N	210.261	3.332	50	40	BGGB	
Fc1ccc(CN=C=S)cc1Cl	53158212	JGJCCUXNEXGJNM-UHFFFAOYSA-N	201.653	3.082	50	40	BGGB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CCl	3865135	XHQPKRVACXDVNV-GARJFASQSA-N	232.751	3.229	50	40	BGGB	
C[C@H](Cl)c1nc(-c2cccs2)no1	20282459	SFVRNPSCAPVOQZ-YFKPBYRVSA-N	214.677	3.098	50	40	BGGB	
C[C@H](C(=O)Cl)c1ccc(Cl)cc1	77054722	MQKBMDLEBVTMMF-LURJTMIESA-N	203.068	3.209	50	40	BGGB	
C[C@@H](Cl)C(=O)Nc1ccc(F)cc1Cl	3252732	YGJQRDCXOFVULB-RXMQYKEDSA-N	236.073	3.045	50	40	BGGB	
N#C/C(=C1/OC(=O)c2ccccc21)c1ccccc1	5680184	WJZRDXONGIUWHK-PFONDFGASA-N	247.253	3.249	50	40	BGGB	
O=C(CCCCCl)c1ccc2c(c1)CCO2	168173431	XCSVCJOBZPOFJQ-UHFFFAOYSA-N	238.714	3.213	50	40	BGGB	
Fc1cc(F)cc(CCCBr)c1	70791527	FLZOAGVUGYVJDO-UHFFFAOYSA-N	235.071	3.292	50	40	BGGB	
CC(C)(CCl)C(=O)c1cc(F)cc(F)c1	382675241	NOXIGOWITVRBIF-UHFFFAOYSA-N	232.657	3.413	50	40	BGGB	
CCc1ccc(OCCCBr)cc1	12016168	CFCVWNSZTVTDAZ-UHFFFAOYSA-N	243.144	3.413	50	40	BGGB	
BrCCCc1cccs1	19785271	MMZJZOAVHSPESP-UHFFFAOYSA-N	205.120	3.076	50	40	BGGB	
N#CC(C#N)=C(C#N)c1ccc2cccccc1-2	500598	HXSRLVKNIRLNDI-UHFFFAOYSA-N	229.242	3.116	50	40	BGGB	
C[C@@H](CCl)N1CCCCCCCC1	1671175	UAORYIYEWMXDRX-NSHDSACASA-N	203.757	3.270	50	40	BGGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CCl	3865133	XHQPKRVACXDVNV-GMTAPVOTSA-N	232.751	3.229	50	40	BGGB	in-vitro
ClCCOc1ccccc1Br	2539755	YEYMDHVVRPPLSH-UHFFFAOYSA-N	235.508	3.067	50	40	BGGB	
Cc1cn2c(CCl)c(Cl)nc2s1	256053662	SHWGTFIDDDJBNA-UHFFFAOYSA-N	221.112	3.096	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cccc(F)c1C	307255195	ZDUHXBZCWBYMQC-SECBINFHSA-N	214.667	3.334	50	40	BGGB	
Cc1nc(-c2ccccn2)cc(C(=O)Cl)c1C	685937080	KCFGQOFZUQPGDS-UHFFFAOYSA-N	246.697	3.139	50	40	BGGB	
CC1(C)[C@@H](C(=O)Cl)[C@@H]1C=C(Cl)Cl	5765577	CHLAOFANYRDCPD-UJURSFKZSA-N	227.518	3.343	50	40	BGGB	in-vitro
C[C@H](NC(=O)[C@@H](C)Cl)c1ccc(Cl)cc1	37389557	XIJGFEZWEDLLRX-SFYZADRCSA-N	246.137	3.145	50	40	BGGB	
CC[C@H](Cl)C(=O)c1cccc(F)c1C	307255196	ZDUHXBZCWBYMQC-VIFPVBQESA-N	214.667	3.334	50	40	BGGB	
Cc1cc(C)c2c(CCl)cc(=O)oc2c1	535878	UAHMLRJDORGFNT-UHFFFAOYSA-N	222.671	3.149	50	40	BGGB	biogenic,in-vitro
C/C(C=C(C#N)C#N)=C\c1ccc(C)cc1	1625480	GYXLYHVENAZWKL-KPKJPENVSA-N	208.264	3.372	50	40	BGGB	
CCOC(=O)c1oc2ccccc2c1N=C=S	72226793	LQJFMDUTLRIISZ-UHFFFAOYSA-N	247.275	3.344	50	40	BGGB	
Cc1ccc(-c2n[nH]c(C(Cl)Cl)n2)cc1	101411179	NWWCLABVXHPPFM-UHFFFAOYSA-N	242.109	3.256	50	40	BGGB	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1	2582207	OGLVYRPWGYOFAJ-FMIVXFBMSA-N	243.306	3.217	50	40	BGGB	
N#C/C(=C\c1ccccc1)C(=O)c1ccccc1	3957077	VOMBBXQRJHALLY-RVDMUPIBSA-N	233.270	3.476	50	40	BGGB	
COc1cc(F)ccc1C(=O)CCCCCl	382685166	FDQGDBLMPOJREJ-UHFFFAOYSA-N	244.693	3.426	50	40	BGGB	
C[C@H](CCl)N1CCCCCCCC1	6491767	UAORYIYEWMXDRX-LLVKDONJSA-N	203.757	3.270	50	40	BGGB	
CC(C)(C)OC[C@@H](Br)C(F)(F)F	82863665	MGOIMGJQHFAXEH-RXMQYKEDSA-N	249.070	3.127	50	40	BGGB	
Cc1cc(C#N)cc(C)c1CBr	95496292	KTMZKGBDKWXODN-UHFFFAOYSA-N	224.101	3.070	50	40	BGGB	
O=C(NN=C1CCCCCC1)c1ccccc1F	6258504	XVGALQYVOLTERV-UHFFFAOYSA-N	248.301	3.266	50	40	BGGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCCCC1	102126507	BJHAKTSLZYFPCJ-JPQUEKKBSA-N	248.370	3.105	50	40	BGGB	
CC(C)(CCl)C(=O)c1cccs1	307324150	DDJRVESGLIZYIA-UHFFFAOYSA-N	202.706	3.196	50	40	BGGB	
O=C(CCCCl)c1ccc(F)cc1F	38524418	LBXIEKILXABVHC-UHFFFAOYSA-N	218.630	3.167	50	40	BGGB	in-vitro
C[C@H](Br)c1cccc(OCCF)c1	72226524	BLWUCCHLRIRRKT-QMMMGPOBSA-N	247.107	3.491	50	40	BGGB	
C/C(=N\NC(=O)CCc1ccccc1)C(C)(C)C	83254671	FEWNVXWWZAHTCS-FOWTUZBSSA-N	246.354	3.157	50	40	BGGB	
CN(C)c1ccccc1C(=O)CCCCCl	382683454	CRIJFJQNRJMNHO-UHFFFAOYSA-N	239.746	3.344	50	40	BGGB	
C[C@H](Br)c1cc(F)ccc1F	57214466	FURLZDHKWKANLF-YFKPBYRVSA-N	221.044	3.421	50	40	BGGB	in-vitro
CCCCOc1cc(C(=O)Cl)ccc1F	95739796	KTEXSVWUYOFQLD-UHFFFAOYSA-N	230.666	3.384	50	40	BGGB	
C[C@H](Cl)C(=O)c1cccc(F)c1Cl	238425370	LQLIUPNTWIVHMT-YFKPBYRVSA-N	221.058	3.289	50	40	BGGB	
CCc1cccc(CC)c1NC(=O)[C@H](C)Cl	19509561	FWQFMHNCEVNNTB-VIFPVBQESA-N	239.746	3.377	50	40	BGGB	in-vitro
COc1ccc(CCl)c(Br)c1	22053251	ZNHQWIUVDRRBOV-UHFFFAOYSA-N	235.508	3.197	50	40	BGGB	in-vitro
BrCSCc1ccccc1	2244242	PSTOVESVKXDXQX-UHFFFAOYSA-N	217.131	3.272	50	40	BGGB	
N#C/C(=C/c1ccco1)C(=O)c1ccccc1	17212239	RYSPQOWNCYWAQP-XFXZXTDPSA-N	223.231	3.069	50	40	BGGB	
CO/C(=C/C#N)c1c(C)cc(C)cc1C	17378137	SQHOOJDMEKTFSW-LFYBBSHMSA-N	201.269	3.123	50	40	BGGB	
FC(F)(Cl)C(Cl)(Cl)CCl	96347121	HFHVCPIWDWKEOX-UHFFFAOYSA-N	217.857	3.231	50	40	BGGB	in-vitro
CCc1ccc(-c2nc(CCl)no2)cc1	20285206	PVLUHKRGSGSYRL-UHFFFAOYSA-N	222.675	3.038	50	40	BGGB	
BrCCC1Cc2ccccc2C1	96327235	OIPRQXFOJMFNIB-UHFFFAOYSA-N	225.129	3.186	50	40	BGGB	
C[C@H](Cl)C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2	251062426	VRYIZHDUMSOMJY-CWSCBRNRSA-N	243.778	3.041	50	40	BGGB	
Fc1c(Br)cccc1N=C=S	75899619	ASLKYOSUQGDVCM-UHFFFAOYSA-N	232.077	3.323	50	40	BGGB	
Cl[C@H]1C=C[C@@H](Cl)[C@H]2[C@H](Cl)[C@H](Cl)[C@H]12	104043519	OWAYRJCKLCVBJA-PPOMMRCSSA-N	245.964	3.232	50	40	BGGB	
C[C@H]1CC[C@@](C)(C(=O)CCl)C1(C)C	1667712	OYJLMFZEDUFKIS-KWQFWETISA-N	202.725	3.257	50	40	BGGB	
Fc1cccc(CSCCCl)c1	2250708	FCSUFAFPKWUAPS-UHFFFAOYSA-N	204.697	3.298	50	40	BGGB	
O=C(Cl)c1cc(-c2ccc(Cl)cc2)on1	2537751	LWLKKTAJTAONRO-UHFFFAOYSA-N	242.061	3.374	50	40	BGGB	
C[C@@H](Cl)c1nc(-c2cccs2)no1	20282455	SFVRNPSCAPVOQZ-RXMQYKEDSA-N	214.677	3.098	50	40	BGGB	
N#CC(=CN(O)c1ccccc1)c1ccccc1	2049243844	VEKUZCUJVFEKDZ-UHFFFAOYSA-N	236.274	3.447	50	40	BGGB	
COc1ccc2cc(C=C(C#N)C#N)ccc2c1	6209253	CAONINJDRUVYSE-UHFFFAOYSA-N	234.258	3.279	50	40	BGGB	
ClCc1nc2cc(Br)ccc2o1	22995843	CWONURXPYBVLGQ-UHFFFAOYSA-N	246.491	3.329	50	40	BGGB	in-vitro
O=C(Cl)c1c(Cl)[nH]c2ccccc12	45787501	ISPQTETUXLOOFK-UHFFFAOYSA-N	214.051	3.200	50	40	BGGB	
CCCCCCC/C=C\C[C@H]1CC(=O)OC1=O	110021302	GDXGTHFUAURIFL-LAUAKBEESA-N	238.327	3.383	50	40	BGGB	
CCSSc1ccccc1C(=O)O	1579486	LNGQPNABYYRMBF-UHFFFAOYSA-N	214.311	3.145	50	40	BGGB	
CN1C(C)(C)CC(Br)CC1(C)C	1667728	ASLNITXQJFGECM-UHFFFAOYSA-N	234.181	3.033	50	40	BGGB	
Cc1cccc(C)c1NC(=O)CCCCl	2582026	BDSZSYFXLCPIKE-UHFFFAOYSA-N	225.719	3.261	50	40	BGGB	in-vitro
Cc1ccc(NC(=O)CCCCl)cc1C	6278281	VNCQSGJTAQZAJW-UHFFFAOYSA-N	225.719	3.261	50	40	BGGB	
C=C(CBr)c1ccc(F)cc1	100040031	UVIKSXSOZVWUPM-UHFFFAOYSA-N	215.065	3.234	50	40	BGGB	
Oc1c(Cl)cc(Cl)cc1CCl	1670667	LIZMDFMRWJQJAC-UHFFFAOYSA-N	211.475	3.438	50	40	BGGB	
C[C@@H](Br)c1ccc(C#N)cc1	32012326	ABYAXYCLTMBACL-SSDOTTSWSA-N	210.074	3.014	50	40	BGGB	in-vitro
C[C@H](Cl)C[C@@H](Cl)C(=O)c1ccccc1	59794039	OIRCYOYIMDSYTD-WCBMZHEXSA-N	231.122	3.494	50	40	BGGB	
O=C/C=C/c1c[nH]c2cc(Cl)ccc12	90645391	POTYOEAEUGXGSO-OWOJBTEDSA-N	205.644	3.033	50	40	BGGB	
BrCc1cnc2ccccc2c1	95932185	XWWZTYWUMVMFNF-UHFFFAOYSA-N	222.085	3.130	50	40	BGGB	in-vitro
CC1=C[C@@](C)(C(Cl)Cl)C(C)=CC1=O	4666817	WTGYMXRIRQMZRH-SNVBAGLBSA-N	219.111	3.272	50	40	BGGB	
N#C[C@H](Cl)c1cccc(Br)c1	45626858	KBINWKCKHSELGM-QMMMGPOBSA-N	230.492	3.253	50	40	BGGB	
Cc1cc(C(=O)Cl)cc(C)c1Cl	95728970	BPUKINNLHSTZGB-UHFFFAOYSA-N	203.068	3.336	50	40	BGGB	
O=C(Cl)CCSc1ccc(F)cc1	96025087	BCYKSYSYSWJIPK-UHFFFAOYSA-N	218.680	3.073	50	40	BGGB	in-vitro
C[C@@H](C(=O)Cl)c1ccc(Cl)c([N+](=O)[O-])c1	98213497	HNYBTZMBRPPJHE-RXMQYKEDSA-N	248.065	3.117	50	40	BGGB	
CCCCCCCC(=O)OCCCl	1602874	XBVCXCNGNQZCES-UHFFFAOYSA-N	206.713	3.129	50	40	BGGB	
CCCC[C@H](C)I	2013433	XCEDNORUDUKWGK-LURJTMIESA-N	212.074	3.000	50	40	BGGB	
CCc1ccccc1NC(=O)CCCCl	6125595	VAWRRNXJFXHSSI-UHFFFAOYSA-N	225.719	3.207	50	40	BGGB	
O=CN/N=C\c1cc2ccccc2c2ccccc12	31669971	ZDOWTIGGZSTDPF-YVLHZVERSA-N	248.285	3.073	50	40	BGGB	
O=P(Cl)(Cl)NOCc1ccccc1	68569559	KAKAVVVPSZYZDU-UHFFFAOYSA-N	240.026	3.294	50	40	BGGB	
N#Cc1ccc(CBr)cc1Cl	91690658	MOJPMYDXOHFFPF-UHFFFAOYSA-N	230.492	3.107	50	40	BGGB	in-vitro
CC[Si](O[Si](C)(C)C)O[Si](C)(C)C	196417730	SPQBJFBULDYFEE-UHFFFAOYSA-N	235.528	3.198	50	40	BGGB	
Fc1ccc([C@H]2C[C@@H]2Br)cc1	238600894	CEIRYQFNVHIOAE-BDAKNGLRSA-N	215.065	3.077	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(F)c1	4498018	YZPXDEAEMLGWEX-XFFZJAGNSA-N	231.270	3.348	50	40	BGGB	
CC(C)COc1cc(F)ccc1C(=O)Cl	95739818	MITFOOGLDITWDC-UHFFFAOYSA-N	230.666	3.240	50	40	BGGB	
CC[C@H](C)/C(C)=N/NC(=O)c1ccc(C)cc1C	6052595	AGMMIWVTQRGODP-QRKKIEFCSA-N	246.354	3.455	50	40	BGGB	
CC[C@H](C)c1ccc(OCC(=O)Cl)cc1	6542023	BEAHLMSPOYPRII-VIFPVBQESA-N	226.703	3.344	50	40	BGGB	
CC(C)(C)[Si](C)(C)OCC[C@@H]1CCCNC1	195991548	XBHDWFMJLMOWCM-LBPRGKRZSA-N	243.467	3.398	50	40	BGGB	
CC[C@@H](C)OC[C@@H](Br)C(F)(F)F	685967406	MZXVHKBDADOTNA-PHDIDXHHSA-N	249.070	3.127	50	40	BGGB	
CCOC(=O)C(C#N)=C(CC(C)C)CC(C)C	1682804	NXFLNIMSYCMMTG-UHFFFAOYSA-N	237.343	3.462	50	40	BGGB	
O=P(Cl)(Cl)N(CCF)CCCl	95704394	LZXYXZYVUMCUJG-UHFFFAOYSA-N	242.445	3.082	50	40	BGGB	
FC(F)(F)c1cnc(Cl)cc1CCl	95761918	CJEMJLFWYHXYRR-UHFFFAOYSA-N	230.016	3.493	50	40	BGGB	
CCCCCCCC/C=N/NC(=O)OCC	97965670	WMAWNAZFAHIRMC-ACCUITESSA-N	228.336	3.469	50	40	BGGB	
C[C@]1(c2ccc(Cl)cc2)OC[C@@H](CCl)O1	1689327	VPUGDBJUIQBLND-MNOVXSKESA-N	247.121	3.167	50	40	BGGB	
CCCN1CCCC[C@H]1CCBr	84199139	FRGGHEJVARMBJG-JTQLQIEISA-N	234.181	3.036	50	40	BGGB	
C[C@H](Cl)C(=O)c1cc(F)c(Cl)c(F)c1	307439096	UWZOIAYNUZCJOW-BYPYZUCNSA-N	239.048	3.428	50	40	BGGB	
O=C(CCl)c1nc2ccc(Cl)cc2s1	228962221	KHGWXVHBPYZTSY-UHFFFAOYSA-N	246.118	3.371	50	40	BGGB	
N#CC1=C(Cl)N[C@H]2CCCCCCC2=C1C#N	78550146	YIBPPLHIEYEWEF-LBPRGKRZSA-N	247.729	3.107	50	40	BGGB	
O=C(CCCBr)c1ccc(F)cc1	41291725	CSBJJFZLWAEERE-UHFFFAOYSA-N	245.091	3.184	50	40	BGGB	in-vitro
CC(C)(C)N(Cc1ccccc1)C(=O)CCl	3269729	QVQIAOBUBDFSCF-UHFFFAOYSA-N	239.746	3.053	50	40	BGGB	
CC(C)=NNC(=O)c1ccc(-c2ccccc2)o1	4616793	XOIRKZOCEZOGOJ-UHFFFAOYSA-N	242.278	3.072	50	40	BGGB	
FC(F)(F)/C(Cl)=C/CBr	83309373	DXCNMVPRQXEUKO-IWQZZHSRSA-N	223.419	3.066	50	40	BGGB	
COc1cc(F)cc(C(=O)CCCCCl)c1	394529973	WTLADZPHYMQUAH-UHFFFAOYSA-N	244.693	3.426	50	40	BGGB	
COc1cccc2cc(CBr)oc12	26422715	HVEHRXXFJVCBAR-UHFFFAOYSA-N	241.084	3.336	50	40	BGGB	
CC(C)(C)SCCCBr	34529550	QESAOLFAFYVLJP-UHFFFAOYSA-N	211.168	3.303	50	40	BGGB	
CC(C)N(CCCl)Cc1ccccc1	1671498	LGPKPGHKHGLXKI-UHFFFAOYSA-N	211.736	3.136	50	40	BGGB	
C=CCN(CCCl)[C@@H](C)Cc1ccccc1	6487312	OYFJMAUWYKPIJD-ZDUSSCGKSA-N	237.774	3.344	50	40	BGGB	
BrCC1CCC2(CC1)CC2	217651210	IIFZLQXNYVVXGM-UHFFFAOYSA-N	203.123	3.352	50	40	BGGB	
O=C(CCl)c1cccc(C(F)(F)F)c1	39953664	CPEDVBNSZUDGFO-UHFFFAOYSA-N	222.593	3.127	50	40	BGGB	in-vitro
CCOC(=O)CCCc1ccc(CCl)cc1	59787065	GPQSDRHYYJOMEO-UHFFFAOYSA-N	240.730	3.311	50	40	BGGB	
Fc1ccc2ccc(CBr)nc2c1	97446421	YHUBQGZOSVRSJN-UHFFFAOYSA-N	240.075	3.269	50	40	BGGB	
COc1ccc(CCl)c(C)c1CCl	4273480	SCTMRGXWUGRMAO-UHFFFAOYSA-N	219.111	3.481	50	40	BGGB	biogenic
N#C/C=C(\c1ccccc1)N1CCCCCC1	75105703	GIAHRXDRVUMGEH-XNTDXEJSSA-N	226.323	3.427	50	40	BGGB	
CCCCC[C@@H](/C=C/C=O)O[C@H]1CCCCO1	1857788559	IGEVFMUECFIYEU-CYUPMTOZSA-N	240.343	3.234	50	40	BGGB	
O=Cc1cc(CCl)c(CCl)s1	1296253	WXZNHNNYFIQWBZ-UHFFFAOYSA-N	209.097	3.038	50	40	BGGB	
BrCCCn1ccc2ccccc21	36489859	AKGMBEQNHFJEDM-UHFFFAOYSA-N	238.128	3.426	50	40	BGGB	
C[C@](F)(CBr)c1ccccc1	95934696	DAYOQOXVQZVQQV-VIFPVBQESA-N	217.081	3.266	50	40	BGGB	
O=C/C=C/c1ccc(OCc2ccccc2)cc1	3201537	NYHQCCMTIODLDK-QPJJXVBHSA-N	238.286	3.478	50	40	BGGB	
COc1ccc2ccccc2c1C(=O)Cl	33433508	SXPBNKRSGVLWJQ-UHFFFAOYSA-N	220.655	3.227	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cccc(F)c1	306578879	MRUDUCASFZJOIY-SECBINFHSA-N	200.640	3.026	50	40	BGGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccccc1	5379474	LCWFGOJVGVBWLE-FMIVXFBMSA-N	213.280	3.209	50	40	BGGB	
N#C/C(=C\C(Cl)=C\c1ccccc1)C(N)=S	6514127	IOXAKIOTEKNKKK-SJUGDSPGSA-N	248.738	3.002	50	40	BGGB	
Cc1cccc(Cl)c1C(=O)[C@H](C)Cl	238421244	LVDGZZDRWYRGGW-ZETCQYMHSA-N	217.095	3.458	50	40	BGGB	
[N-]=[N+]=Nc1nc(CCl)nc(-c2ccccc2)n1	27562734	ZMNODBKOYCUPKU-UHFFFAOYSA-N	246.661	3.219	50	40	BGGB	
CCC(F)(F)C(F)(F)CCBr	64370152	AATMTMCNADRZED-UHFFFAOYSA-N	237.034	3.452	50	40	BGGB	
CC(C)[C@H](Br)CCBr	252500266	SQOCSLBTGCYXEO-ZCFIWIBFSA-N	243.970	3.191	50	40	BGGB	
ClCc1cnc(OCc2ccco2)s1	43220388	DIYGQGYAKVVWFG-UHFFFAOYSA-N	229.688	3.054	50	40	BGGB	
F[C@@H](C(F)(F)F)C(F)(F)OCCCCl	1083807916	BRLJBDOQPQGJLJ-BYPYZUCNSA-N	244.562	3.125	50	40	BGGB	
COc1ccc(Cl)c(C(=O)[C@H](C)Cl)c1	36181719	SPXFAHXZUSFAGM-LURJTMIESA-N	233.094	3.159	50	40	BGGB	
C[C@@H](Cl)C(=O)c1ccc(Cl)c(F)c1	238426469	LNLGOUXUSQNQJG-RXMQYKEDSA-N	221.058	3.289	50	40	BGGB	
Cc1ccc(C(=O)[C@@H](C)Cl)c(Cl)c1	238426378	AQXRXXDNPCJRPH-SSDOTTSWSA-N	217.095	3.458	50	40	BGGB	
CCCCCCC(=O)N/N=C1/C[C@H]2C=CC[C@H]12	4150425	HCBDHXQNOVKSRG-PNZORISLSA-N	234.343	3.025	50	40	BGGB	
CC(=O)c1ccc([C@@H]2C[C@H]2Br)cc1	6159101	IZPFRNGYGYSBPA-WDEREUQCSA-N	239.112	3.140	50	40	BGGB	
CCN(CC)c1ccc(C(=O)[C@@H](C)Cl)cc1	36202989	YMQZIPHPICMRDO-SNVBAGLBSA-N	239.746	3.343	50	40	BGGB	
CC(C)c1ccc([C@@H]2OC[C@@H](CCl)O2)cc1	1677032	KVSVMFVAEKFMTO-CHWSQXEVSA-N	240.730	3.463	50	40	BGGB	
CC(C)[C@@H](Br)C(=O)c1ccccc1	19843053	UCCCJNBTIJWCPF-SNVBAGLBSA-N	241.128	3.289	50	40	BGGB	
C/C(C=C(C#N)C#N)=C/c1ccc(F)cc1	1625482	CRBUKOFRHAJRAS-POHAHGRESA-N	212.227	3.203	50	40	BGGB	
CCCCCC[C@@H](C)OC(=O)CCl	1687383	IJDHTIMWHATBKH-SECBINFHSA-N	206.713	3.127	50	40	BGGB	
CC[C@@H](Cl)C(=O)c1cc(C)cc(F)c1	307649768	ITUIFDQRCBVRHO-SNVBAGLBSA-N	214.667	3.334	50	40	BGGB	
[C-]#[N+]Cc1ccc(F)c(Br)c1	95698351	UBMUPMXVMRQQLA-UHFFFAOYSA-N	214.037	3.007	50	40	BGGB	
CC[C@H](C)c1ccccc1NC(=O)CCl	3276933	CFRLWPOECXAQDT-VIFPVBQESA-N	225.719	3.377	50	40	BGGB	
N#C/C(=C/N(O)c1ccccc1)c1ccccc1	4701439	VEKUZCUJVFEKDZ-OWBHPGMISA-N	236.274	3.447	50	40	BGGB	
COc1ccc(-c2noc([C@@H](C)Cl)n2)cc1	35660399	KLXXFYYQCQGACJ-SSDOTTSWSA-N	238.674	3.045	50	40	BGGB	
COc1cc(C(=O)Cl)cc2ccccc12	96527853	KOGIJQRUZICZMM-UHFFFAOYSA-N	220.655	3.227	50	40	BGGB	
Cl[C@H]1c2ccccc2Cc2cccnc21	1563687	IYPLGEJOJZMFIY-LBPRGKRZSA-N	215.683	3.314	50	40	BGGB	
CC1=C/C(=C(/C#N)c2ccccc2)C=C/C1=N\O	17820798	ZIXGUBOBZGPBQZ-IWHORCFHSA-N	236.274	3.310	50	40	BGGB	
CCOc1cccc(-c2cnc(CCl)o2)c1	72220110	HDQOPDJGFQVHCM-UHFFFAOYSA-N	237.686	3.479	50	40	BGGB	
ClCc1csc(COc2ccccc2)n1	19787972	XAXNMFRKMJBTSO-UHFFFAOYSA-N	239.727	3.461	50	40	BGGB	in-vitro
CC(C)(C)[Si](C)(C)OCCCC[C@H]1CN1	169808688	KCNCEEJUTSYRDV-NSHDSACASA-N	229.440	3.150	50	40	BGGB	
CN(C)c1cccc(C(=O)C(C)(C)CCl)c1	382673110	FIJVULNNAAFNSA-UHFFFAOYSA-N	239.746	3.200	50	40	BGGB	
CC(C)CCc1nc(CCl)cs1	38342473	BRCBSZBJIFOLRL-UHFFFAOYSA-N	203.738	3.471	50	40	BGGB	in-vitro
Cc1ccc(NC(=O)C(C#N)=C2CCCC2)cc1	127260	AEAVQDUJHXABDL-UHFFFAOYSA-N	240.306	3.328	50	40	BGGB	
CC[C@@]1(C)Cc2ccccc2C(CCl)=N1	1824478	JINDIHCPVBWINR-ZDUSSCGKSA-N	221.731	3.439	50	40	BGGB	
N#CS/C=C/C(=O)c1ccc(Cl)cc1	2800983	AIMZRIQUKKKJSD-AATRIKPKSA-N	223.684	3.251	50	40	BGGB	
C[C@H](Cl)C(=O)c1ccc(Cl)cc1	3440617	YQBPDHQJIIDKEO-LURJTMIESA-N	203.068	3.150	50	40	BGGB	in-vitro
ClCc1cncn1CC1CCCCC1	3884557	WIUIKWOLTSPQRT-UHFFFAOYSA-N	212.724	3.202	50	40	BGGB	
CCCCC(=O)N/N=C/C(C)=C/c1ccccc1	2729616	HVORZJIKNIRDRW-PKRRCJCNSA-N	244.338	3.382	50	40	BGGB	
CC(C)c1ccccc1O[C@H](C)C(=O)Cl	33433780	PDCVODGVSARNOE-SECBINFHSA-N	226.703	3.343	50	40	BGGB	
COc1cccc2nc(CCl)sc12	95950074	YEZZQSSIQKFMKM-UHFFFAOYSA-N	213.689	3.044	50	40	BGGB	
[C-]#[N+]CCCN(CCCC)[C@H](CC)[N+]#[C-]	238206230	ZOBFUINROOHMGB-GFCCVEGCSA-N	207.321	3.053	50	40	BGGB	
CCCCCCCC(=O)N/N=C/c1ccccc1	1696166	SQMNCQHHEHYMRV-DTQAZKPQSA-N	246.354	3.497	50	40	BGGB	
FC(F)(F)C(F)(F)SCCCl	91252524	VFRINVHXQUWQRU-UHFFFAOYSA-N	214.586	3.114	50	40	BGGB	
COc1cc(F)c(C(=O)CCCCl)cc1F	381297582	AALLXDCNBBWKEJ-UHFFFAOYSA-N	248.656	3.175	50	40	BGGB	
CC1=C[C@](C)(C(Cl)Cl)C(C)=CC1=O	384101	WTGYMXRIRQMZRH-JTQLQIEISA-N	219.111	3.272	50	40	BGGB	
CN(C)c1ccc(/C=N/C2=C(C#N)CCC2)cc1	500436	LZNXKMSOCFQXJN-GZTJUZNOSA-N	239.322	3.133	50	40	BGGB	
Cc1cc(C)cc(OC(=S)Cl)c1	2576033	QIAQVXIHGOJIFP-UHFFFAOYSA-N	200.690	3.206	50	40	BGGB	
C[C@H](Cl)C(=O)N[C@@H](C)c1ccc(Cl)cc1	37389561	XIJGFEZWEDLLRX-YUMQZZPRSA-N	246.137	3.145	50	40	BGGB	
ClCCCOc1cccc(Br)c1	22171238	LJYRPZVVDMWBTP-UHFFFAOYSA-N	249.535	3.457	50	40	BGGB	
N#CSCc1ccccc1C(F)(F)F	36533344	OWGVRVDCRDRETJ-UHFFFAOYSA-N	217.215	3.420	50	40	BGGB	
CC1(C)CC(CCBr)CC(C)(C)N1	37623990	LHXGIXMNNVUGAZ-UHFFFAOYSA-N	248.208	3.328	50	40	BGGB	
BrCc1ccccc1C1CC1	84193885	OSTVXEILFLHRHF-UHFFFAOYSA-N	211.102	3.459	50	40	BGGB	in-vitro
ClCCCCC[C@@H](CCl)NCCCl	1700126	JJFLTZNZPVIAJK-VIFPVBQESA-N	246.609	3.221	50	40	BGGB	
Cc1cc(C)cc(OCCBr)c1	3444668	DMZQWLHBAZGMKK-UHFFFAOYSA-N	229.117	3.077	50	40	BGGB	in-vitro
CCCC[C@H](CC)CNC(=O)C(Cl)Cl	2043086	KGRRLXPVVAYGGC-QMMMGPOBSA-N	240.174	3.123	50	40	BGGB	
ClCc1cnc(-c2ccc(Cl)cc2)[nH]1	91696212	ZTZALKNSSDQIHI-UHFFFAOYSA-N	227.094	3.469	50	40	BGGB	in-vitro
COc1ccc([C@@H]2C[C@H](C)C=C(C#N)O2)cc1	4267782	QAMQRVKEZVQORK-YGRLFVJLSA-N	229.279	3.200	50	40	BGGB	biogenic
O=C(CCCCCl)c1ccc([N+](=O)[O-])cc1	43210714	SLLYXYPJRUEOMU-UHFFFAOYSA-N	241.674	3.187	50	40	BGGB	
N#C/C(=C/c1ccsc1)c1ccccn1	96662818	ZXPOZPZALZIMPF-XFFZJAGNSA-N	212.277	3.207	50	40	BGGB	
Fc1ccc([C@@H]2C[C@H]2Br)cc1	238594126	CEIRYQFNVHIOAE-DTWKUNHWSA-N	215.065	3.077	50	40	BGGB	
C[C@@H]1CC[C@](C)(C(=O)CCl)C1(C)C	1667711	OYJLMFZEDUFKIS-LDYMZIIASA-N	202.725	3.257	50	40	BGGB	
CCc1cccc(OCCBr)c1	3886990	MMUVKYKAWRDETJ-UHFFFAOYSA-N	229.117	3.023	50	40	BGGB	in-vitro
O=C(CCl)N1c2ccccc2[C@@H]2CCCC[C@@H]21	226233599	RDJCASPWJMTSNY-AAEUAGOBSA-N	249.741	3.298	50	40	BGGB	
N#CSc1c(Cl)cc(C(=O)O)cc1Cl	45919849	PXHNKXYWDCNKKL-UHFFFAOYSA-N	248.090	3.265	50	40	BGGB	
N#Cc1c(Cl)cccc1CBr	114153353	RWQRMGCPYFBURB-UHFFFAOYSA-N	230.492	3.107	50	40	BGGB	
COc1cccc(C(=O)CCCCCl)c1	39041647	FFMAKBHLEWSFKE-UHFFFAOYSA-N	226.703	3.287	50	40	BGGB	
Cc1cc(C)cc(O[C@@H](C)CBr)c1	41288084	QJOBUPUEDSDKDF-JTQLQIEISA-N	243.144	3.466	50	40	BGGB	
CCCC(CCC)=NNC(=O)c1ccccc1	4979761	IXPYCALCCZXHPP-UHFFFAOYSA-N	232.327	3.373	50	40	BGGB	
N#CC(C#N)=Cc1cc(Cl)cc(Cl)c1O	6224156	YPWVPXWVMFSNNK-UHFFFAOYSA-N	239.061	3.130	50	40	BGGB	
C[N+](C)(C)CCCCCCCBr	22053392	YOCOAMFSRKLCJI-UHFFFAOYSA-N	237.205	3.038	50	40	BGGB	in-vitro
NC(=O)c1cccc(S(F)(F)(F)(F)F)c1	97950044	YLMGGQIZDXTBKX-UHFFFAOYSA-N	247.188	3.443	50	40	BGGB	
O=P(Cl)(Cl)CCCBr	104128980	DIGFVDXKCGCTRY-UHFFFAOYSA-N	239.864	3.442	50	40	BGGB	
CN(C)C(=S)SSC(C)(C)C	1579483	RZRJACCZWZTYJY-UHFFFAOYSA-N	209.405	3.013	50	40	BGGB	
S=C=Nc1ccn(Cc2ccc(Cl)cc2)n1	2522247	MFSGNFGHKOLFFH-UHFFFAOYSA-N	249.726	3.319	50	40	BGGB	
N#C/C(=C/c1ccoc1)c1cccc([N+](=O)[O-])c1	33771099	MMRSMXFPNHAHCP-SDQBBNPISA-N	240.218	3.252	50	40	BGGB	
CCSc1ccccc1C(=O)Cl	38478175	PRFYPNGSTNJXQV-UHFFFAOYSA-N	200.690	3.178	50	40	BGGB	
Cc1cc(C(=O)CCl)c(Cl)cc1F	39054641	QEOBKVTZODEYCZ-UHFFFAOYSA-N	221.058	3.209	50	40	BGGB	in-vitro
Cc1cccc(C#CCBr)c1C	95632027	AQASJMWGBBKMJT-UHFFFAOYSA-N	223.113	3.050	50	40	BGGB	
CCCCCC(=O)N/N=C/c1ccccc1C	2795832	WEJLJPXEJMKXQZ-RVDMUPIBSA-N	232.327	3.025	50	40	BGGB	
CC1(C)CCC[C@]2(C)[C@H](C=O)C(C=O)=CC[C@H]12	33833871	AZJUJOFIHHNCSV-UMVBOHGHSA-N	234.339	3.163	50	40	BGGB	biogenic
CC(C)(C)[C@@H](NC(=O)CCl)c1cccs1	60273301	OCXXRBZSXWQDMR-JTQLQIEISA-N	245.775	3.190	50	40	BGGB	in-vitro
C[C@@H]1C(Br)[C@@H](C)[C@@H]2CC[C@H]1C2	104146356	AHHXXNZRYQCSGL-PLJUCTGSSA-N	217.150	3.452	50	40	BGGB	
CCCCCCC/C=C\C[C@@H]1CC(=O)OC1=O	110021298	GDXGTHFUAURIFL-JLVNDZCYSA-N	238.327	3.383	50	40	BGGB	
C[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCCCCCl	254828686	UGTUWIDPBVGBTD-BJDJZHNGSA-N	242.746	3.007	50	40	BGGB	
C[C@H]1[C@H]2C[C@H](C[C@@]23OC[C@H](CCl)O3)C1(C)C	4577810	ARRMJBMUKXIDRB-UGCHFJIKSA-N	244.762	3.039	50	40	BGGB	
Cc1ccc(-c2cnc(CCl)o2)cc1	26443928	ZJCGNFFRNLWRIE-UHFFFAOYSA-N	207.660	3.389	50	40	BGGB	
C[C@@H](Cl)C(=O)c1cccc(OC(F)F)c1	308786855	GQDIGMRWGKNASN-ZCFIWIBFSA-N	234.629	3.098	50	40	BGGB	
Cc1ccc(N/C=C(/C#N)C(=O)C(C)(C)C)cc1	5363092	DCLZIVKAVBRGMV-BENRWUELSA-N	242.322	3.430	50	40	BGGB	
CC(C)C/C=N/NC(=O)c1ccc(Cl)cc1	4117813	WSJGWKBQDWFPMN-RIYZIHGNSA-N	238.718	3.102	50	40	BGGB	
C[C@]12CC[C@H](C/C1=N\O)[C@@]2(C)CBr	13140229	AWBFTBBHLBKDMO-HIARCIIYSA-N	246.148	3.038	50	40	BGGB	
N#C[C@H](O)c1cccc(Oc2ccccc2)c1	59804128	GXUQMKBQDGPMKZ-AWEZNQCLSA-N	225.247	3.036	50	40	BGGB	in-vitro
O=C(Cl)CCCc1c[nH]c2ccccc12	98213514	OTJPXBUDOVVTTR-UHFFFAOYSA-N	221.687	3.256	50	40	BGGB	
O=C/C=C(\Cl)c1ccc(Br)cc1	2019356	BMEIVZSKOZFHRN-UITAMQMPSA-N	245.503	3.228	50	40	BGGB	
O=C(CCCCCl)c1cccc(F)c1	2378507	XVKBHEVQDRVRDJ-UHFFFAOYSA-N	214.667	3.418	50	40	BGGB	
C[C@]1(c2ccc(Cl)cc2)OC[C@H](CCl)O1	1689329	VPUGDBJUIQBLND-QWRGUYRKSA-N	247.121	3.167	50	40	BGGB	
Cn1c(CCCCl)nc2cc(Cl)ccc21	37440863	ABQOJLHUVIWGPV-UHFFFAOYSA-N	243.137	3.398	50	40	BGGB	
COc1cccc(C(F)(F)F)c1CCl	217609707	AUGMAJDEQVZJGV-UHFFFAOYSA-N	224.609	3.453	50	40	BGGB	
Cc1ccc(-c2ccc(C=C(C#N)C#N)n2C)cc1	541372	YGLIWAUWRCWZCG-UHFFFAOYSA-N	247.301	3.431	50	40	BGGB	
C[C@H]1Cc2cc(-c3cc(CCl)no3)ccc2O1	62716544	CAMKJBPGXJMBTC-QMMMGPOBSA-N	249.697	3.404	50	40	BGGB	
CSc1ccc(C(=O)[C@@H](C)Cl)cc1	71453273	SKVCXZYCMIUFSD-SSDOTTSWSA-N	214.717	3.219	50	40	BGGB	
O=C(Cl)c1cc(Cl)c(O)c(Cl)c1	39375152	IENFFBUGGRQFQL-UHFFFAOYSA-N	225.458	3.078	50	40	BGGB	
C[C@]1(C(=O)OCCCCCl)C[C@H]2C=C[C@H]1C2	102466901	WLUFKYAMKRIWAK-GVXVVHGQSA-N	242.746	3.151	50	40	BGGB	
Fc1ccc2cccnc2c1CBr	199807051	NBRGTPXJNOVBSK-UHFFFAOYSA-N	240.075	3.269	50	40	BGGB	
Cc1nc(-c2ccncc2)cc(C(=O)Cl)c1C	685936949	GHBJRJDBMIWOME-UHFFFAOYSA-N	246.697	3.139	50	40	BGGB	
N#CC1=Cc2cc(Cl)cc(Cl)c2OC1	2599365	BDPSIHZVSJWBBD-UHFFFAOYSA-N	226.062	3.293	50	40	BGGB	
Cc1ccccc1O[C@@H](C)CBr	41250837	XKZPWAGHFCIMHO-VIFPVBQESA-N	229.117	3.157	50	40	BGGB	
CC(C)[C@H](Br)c1nc(C2CC2)no1	95097271	UDVJIRVXYUTNIA-ZETCQYMHSA-N	245.120	3.039	50	40	BGGB	
N#CC1=C(/C=N/c2ccccc2O)CCC1	100456561	QKFDBUSVSBMXRI-OQLLNIDSSA-N	212.252	3.099	50	40	BGGB	
CC(C)(CCl)C(=O)c1ccccc1F	307186643	USXSMTXXDLXKRR-UHFFFAOYSA-N	214.667	3.273	50	40	BGGB	
CCOc1ccc(C(C)=O)cc1CCl	3457876	FIPSFZJGBBXYRB-UHFFFAOYSA-N	212.676	3.027	50	40	BGGB	in-vitro
COc1cccc(SCCBr)c1	19415477	MPNMEEMRWQLZJD-UHFFFAOYSA-N	247.157	3.182	50	40	BGGB	
Fc1cccc(CCl)c1Br	89064988	KYNNNKFAVRPOBK-UHFFFAOYSA-N	223.472	3.327	50	40	BGGB	
O=CC1=C(Cl)CC[C@H](C(F)(F)F)C1	134109481	UTFLKWZJCKNPKB-LURJTMIESA-N	212.598	3.041	50	40	BGGB	
C[C@@H](Cl)C(=O)c1cccc(F)c1Cl	238427527	LQLIUPNTWIVHMT-RXMQYKEDSA-N	221.058	3.289	50	40	BGGB	
COc1ccc2cccc(CC(=O)Cl)c2c1	91362197	CRIAVNMNHHQBGQ-UHFFFAOYSA-N	234.682	3.156	50	40	BGGB	
FC1(F)Oc2cccc(C(Cl)Cl)c2O1	97949889	YBBBLQDLYDRZQR-UHFFFAOYSA-N	241.020	3.484	50	40	BGGB	
COc1cc(F)c(F)cc1C(=O)CCCCl	382700768	OEKPEBSACQPEJP-UHFFFAOYSA-N	248.656	3.175	50	40	BGGB	
C[C@@]1(c2ccc(Cl)cc2)OC[C@@H](CCl)O1	1689326	VPUGDBJUIQBLND-GHMZBOCLSA-N	247.121	3.167	50	40	BGGB	
N#C[C@@H](Cl)c1cccc(Br)c1	45626857	KBINWKCKHSELGM-MRVPVSSYSA-N	230.492	3.253	50	40	BGGB	
Cc1ccc(C)c(OCCCBr)c1	4207107	DRFYEIPEKLGMKO-UHFFFAOYSA-N	243.144	3.467	50	40	BGGB	in-vitro
Cl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C=C[C@@H]43)[C@@H]12	104279456	XHVCLSVMXDWLKI-SNLLMHEOSA-N	227.134	3.065	50	40	BGGB	
CC[C@@H]1N[C@@H]1CCO[Si](C)(C)C(C)(C)C	169811412	YELJXPORFJRBJY-WDEREUQCSA-N	229.440	3.149	50	40	BGGB	
Cc1cccc(C(=O)[C@H](C)Cl)c1Cl	238425106	VASCTUOFYSORQY-ZETCQYMHSA-N	217.095	3.458	50	40	BGGB	
ClCC(CCl)=NOCc1ccccc1	72399695	FBIHQCYFKGDZEM-UHFFFAOYSA-N	232.110	3.037	50	40	BGGB	in-vitro
C[C@@H](C(=O)Cl)c1ccc(Cl)cc1	77054723	MQKBMDLEBVTMMF-ZCFIWIBFSA-N	203.068	3.209	50	40	BGGB	
COc1ccc(Br)cc1CCCl	82554842	ZZBBGWBYMYVINA-UHFFFAOYSA-N	249.535	3.239	50	40	BGGB	
C[C@]12CC[C@H](C/C1=N/O)[C@@]2(C)CBr	100099505	AWBFTBBHLBKDMO-JLILIZFZSA-N	246.148	3.038	50	40	BGGB	
Cc1cc(SC#N)c(C)c2sc(N)nc12	22121816	GLTNSHZFVZDWCP-UHFFFAOYSA-N	235.337	3.069	50	40	BGGB	
CC[C@H](Oc1cc(C)ccc1C)C(=O)Cl	36720626	VPXBCBBJJAYFGO-JTQLQIEISA-N	226.703	3.226	50	40	BGGB	
C/C(=N\NC(=O)c1ccccc1C)C(C)(C)C	408785893	JJRKIYHKNOFNKQ-RVDMUPIBSA-N	232.327	3.147	50	40	BGGB	
CC(C)[C@H](Br)C(=O)c1ccccc1	19843054	UCCCJNBTIJWCPF-JTQLQIEISA-N	241.128	3.289	50	40	BGGB	
O=C(Cl)c1ncc(C(F)(F)F)cc1Cl	44154569	SNIMEAODTKIPAR-UHFFFAOYSA-N	243.999	3.133	50	40	BGGB	
COc1c(Cl)cc(C)cc1C(=O)Cl	57339159	JORQSXYWLAVZRH-UHFFFAOYSA-N	219.067	3.036	50	40	BGGB	
N#C/C=C/c1cccc(OC(F)(F)F)c1	143697262	USJNORRWSWFMEP-DUXPYHPUSA-N	213.158	3.122	50	40	BGGB	
C=C(C)[C@@H]1CC[C@@H](C)O[C@H]1CBr	4024266	GOOFXTMOTGPMGS-UTLUCORTSA-N	233.149	3.141	50	40	BGGB	
O=[S@]1Nc2cc(Cl)c(Cl)cc2S1	6499848	UDOIKDVVHAHNOS-LBPRGKRZSA-N	240.136	3.090	50	40	BGGB	
N#C/C(=C/c1ccco1)c1nc2ccccc2[nH]1	5204649	PINFVMBXAWOWAD-NTMALXAHSA-N	235.246	3.220	50	40	BGGB	
CCOc1cc2c(cc1CCl)O[C@@H](C)C2	7989026	DIBDVZQJCMEZBR-QMMMGPOBSA-N	226.703	3.148	50	40	BGGB	in-vitro
CC(=O)Oc1cccc(C(Cl)Cl)c1	196510653	NDFSVZCNYDLXOU-UHFFFAOYSA-N	219.067	3.088	50	40	BGGB	
CC[C@@H](C)[C@H]1CCCC[C@@H]1OC(=O)CCl	4896123	RGBMXRHDGBCMQK-MXWKQRLJSA-N	232.751	3.373	50	40	BGGB	
Cc1ccc(C#CCBr)cc1Cl	95631628	VXKPGAYSISPANB-UHFFFAOYSA-N	243.531	3.395	50	40	BGGB	
CC(C)Cc1cc(Cl)nc(CCl)n1	72209935	PVJLSSSNPBEMLU-UHFFFAOYSA-N	219.115	3.067	50	40	BGGB	
CSc1ccccc1C(=O)[C@@H](C)Cl	307253594	VRGKSGXGAFAZLZ-SSDOTTSWSA-N	214.717	3.219	50	40	BGGB