smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@]12CC3CC(C(=O)NN)(C1)C[C@](C)(C3)C2	13464312	BTVHCTDEKNQARW-QGVZIFMBSA-N	222.332	1.973	50	30	BDGC	
BrCCOC[C@H]1CCCO1	19421821	SVWDVYJZNRPALE-SSDOTTSWSA-N	209.083	1.577	50	30	BDGC	in-vitro
CC12COC(CI)(C1)C2	958643082	YCGMSWJZCFNPJZ-UHFFFAOYSA-N	238.068	1.991	50	30	BDGC	
CN(C)S(=O)(=O)c1cc(CCl)co1	88611538	DQINYDLOIUHNBF-UHFFFAOYSA-N	223.681	1.269	50	30	BDGC	in-vitro
COC(=O)/C(C#N)=C/c1ccc(C#N)cc1	100460	LRXXOPUBQBKCTN-IZZDOVSWSA-N	212.208	1.638	50	30	BDGC	
C[C@@H]1CCC[C@@H](NNC(=O)c2ccncc2)C1	2018623	MVFSFRSWCGDGFZ-ZYHUDNBSSA-N	233.315	1.895	50	30	BDGC	
CC(=O)NNc1cccc(C(F)(F)F)n1	78272	SHMUCNGSPWUTCI-UHFFFAOYSA-N	219.166	1.563	50	30	BDGC	
COc1cccc(C(C)=NNC(N)=O)c1	252446831	BMZNDZUKBXFFPO-UHFFFAOYSA-N	207.233	1.088	50	30	BDGC	
CC(C)(C)OC(=O)N(N)CC1CCC1	958687303	NRNUZJFCIAANEL-UHFFFAOYSA-N	200.282	1.897	50	30	BDGC	
BrC[C@H]1CC(Br)=NO1	714297093	HGVCOEAECLHNRK-GSVOUGTGSA-N	242.898	1.879	50	30	BDGC	
COC(=O)C1CC(CCBr)C1	2265385041	ROQHTWYFHPEKDA-UHFFFAOYSA-N	221.094	1.971	50	30	BDGC	
Cl[C@@H]1NC=NC2=C1CN(Cc1ccccc1)C2	71186755	KEDYLWKRFPPQIF-CYBMUJFWSA-N	247.729	1.953	50	30	BDGC	
COC(=O)c1ccn2cc(CCl)nc2c1	228982637	HLQPMODHZBYWGC-UHFFFAOYSA-N	224.647	1.860	50	30	BDGC	
COC(=O)[C@H](Br)COC(C)(C)C	88010038	NQHJWUFRNXYFJD-ZCFIWIBFSA-N	239.109	1.738	50	30	BDGC	
Cc1ccnc(C(=O)CBr)c1	39055597	WRYBFZYPELHYHY-UHFFFAOYSA-N	214.062	1.968	50	30	BDGC	in-vitro
CCCOC(=O)[C@H](Cl)C(=O)CCl	103832038	PWBGADFQZYEPHY-ZCFIWIBFSA-N	213.060	1.355	50	30	BDGC	
CC(=O)NNC(=O)c1cc2sccc2s1	108114	UTLASYUQFSQTSC-UHFFFAOYSA-N	240.309	1.744	50	30	BDGC	
O=C1NCCc2c(OCCCCl)cccc21	8699926	FUUKBECTHHFBKF-UHFFFAOYSA-N	239.702	1.980	50	30	BDGC	
Cn1c(C(=O)CCl)ccc1[N+](=O)[O-]	87224329	XDZGVPOPBIGUOU-UHFFFAOYSA-N	202.597	1.355	50	30	BDGC	
CO[C@H](CBr)[C@H]1CCCOC1	950757532	QDIDCLJDIVXTLZ-JGVFFNPUSA-N	223.110	1.823	50	30	BDGC	
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O1	100388482	PZEKHTMDKRBNKY-JTQLQIEISA-N	230.223	1.345	50	30	BDGC	
COC(=O)[C@H](Br)CC(C)C	39348814	SRPGFJDOALJGMR-ZCFIWIBFSA-N	209.083	1.969	50	30	BDGC	
Nc1ncc(CCBr)s1	199086210	KQBHPFRZCOYPNB-UHFFFAOYSA-N	207.096	1.663	50	30	BDGC	
C[C@H](O)CN(Cc1ccccc1)C(=O)CCl	95642732	VFWQOZBAUKDKIB-JTQLQIEISA-N	241.718	1.635	50	30	BDGC	
O=C1CC(c2ccc([N+](=O)[O-])cc2)CC(=O)O1	100074343	MFVQOCMEHLITHQ-UHFFFAOYSA-N	235.195	1.542	50	30	BDGC	
Cc1cc(Cl)ccc1[C@]1(C(N)=O)O[C@@H]1Cl	6070152	WMYXMCBISNXBSE-WPRPVWTQSA-N	246.093	1.924	50	30	BDGC	
CN1CC[C@@H](CBr)CC1=O	253183049	KEXHIZDSFYODQY-ZCFIWIBFSA-N	206.083	1.250	50	30	BDGC	in-vitro
N#Cc1ccccc1OC[C@H](O)CCl	22010743	MUFFOLPYTIIKNT-SECBINFHSA-N	211.648	1.537	50	30	BDGC	
CCOC(=O)C=CCCBr	2265324113	YYJABUZCTGSYNY-UHFFFAOYSA-N	207.067	1.891	50	30	BDGC	
O=C(CBr)OCC(F)(F)F	5112788	IKQJUNXXIIHEKP-UHFFFAOYSA-N	220.972	1.487	50	30	BDGC	
COC(=O)c1ccnc(F)c1CBr	95642712	KCCQRUZYQAFRPK-UHFFFAOYSA-N	248.051	1.902	50	30	BDGC	
COc1ccc(Cl)c(NC(=O)NN)c1	43319047	UQIMMPYRWURYRE-UHFFFAOYSA-N	215.640	1.344	50	30	BDGC	in-vitro
Cc1nc2c(O)cccn2c(=O)c1CCCl	95080211	NMALKTKBJPTUDK-UHFFFAOYSA-N	238.674	1.490	50	30	BDGC	in-vitro
CSC1=C(C#N)C(=O)NC(C)(C)S1	140187	WYZQYLKLCCFKNS-UHFFFAOYSA-N	214.315	1.684	50	30	BDGC	
C[C@@]1(C(=O)CBr)CC1(F)F	34347239	BZRNEASAKFDGKW-YFKPBYRVSA-N	213.021	1.996	50	30	BDGC	in-vitro
CCCCCNNC(=O)c1cc(C)on1	1999986	CPIGAJAJPFSXGZ-UHFFFAOYSA-N	211.265	1.408	50	30	BDGC	
CCOc1ccccc1C=NNC(N)=O	239433630	YFBQLAZYMSCHCA-UHFFFAOYSA-N	207.233	1.088	50	30	BDGC	
FC1(F)CO[C@H](CI)C1	725266706	UACFIUCWRPZTLV-BYPYZUCNSA-N	248.010	1.846	50	30	BDGC	
C[C@@H](N/C=C(\C#N)c1nnn[nH]1)C(C)(C)C	20421236	UTYZRLMFRCISFC-UQBZRGDZSA-N	220.280	1.088	50	30	BDGC	
CO[C@H](C)CCOC(=O)[C@@H](C)Br	1711222	HGPKPMHJDZJVIY-RNFRBKRXSA-N	239.109	1.738	50	30	BDGC	
CC(C)=CC(=O)NCC(=O)O[Si](C)(C)C	195781924	CIBNSCXUKAEBGH-UHFFFAOYSA-N	229.352	1.447	50	30	BDGC	
C[C@H]1N(CCBr)CCOC1(C)C	575449861	RYSQZFLEMBJKAF-MRVPVSSYSA-N	236.153	1.881	50	30	BDGC	
CCN1CCC(=NNC(=O)CC(C)C)CC1	95921888	PTXRZQRUJJPOTR-UHFFFAOYSA-N	225.336	1.620	50	30	BDGC	
COC(CCBr)(OC)OC	4204298	PQQREARAZOQXHE-UHFFFAOYSA-N	213.071	1.364	50	30	BDGC	
C[C@H](Cl)OC(=O)CNC(=O)OC(C)(C)C	1535639621	WBYWODCMSWMQOA-ZCFIWIBFSA-N	237.683	1.639	50	30	BDGC	
CCOC(=O)/C(C#N)=C(\N)c1ccccc1	113353938	YKRQBWKLHCEKQH-KHPPLWFESA-N	216.240	1.443	50	30	BDGC	
O=C(CBr)C1(O)CCCC1	39055445	UCGOJCQLQLAHFI-UHFFFAOYSA-N	207.067	1.256	50	30	BDGC	
CC(CC(=O)c1ccccc1)=NNC(=O)CC#N	254873301	MMNXYCSEWJLAGC-UHFFFAOYSA-N	243.266	1.665	50	30	BDGC	
CO[C@@]1(c2nnc(CCl)o2)CCOC1	306883445	KFIMMRPQXRQCLL-QMMMGPOBSA-N	218.640	1.070	50	30	BDGC	
O=C1O[C@@H](CBr)CCC12CC2	98095379	QCAJMZAWVBVDIL-ZCFIWIBFSA-N	219.078	1.867	50	30	BDGC	in-vitro
Cc1oc(CCl)cc1S(C)(=O)=O	1535646164	JQPOAVPXNBJNGH-UHFFFAOYSA-N	208.666	1.730	50	30	BDGC	
O=C1O[C@@H](CBr)CC12CCC2	97053846	YCJYTTJFZUBJGC-ZCFIWIBFSA-N	219.078	1.867	50	30	BDGC	in-vitro
Cc1n[nH]c(-c2cccs2)c1C(=O)NN	118569	NKMUUXFRZXDNER-UHFFFAOYSA-N	222.273	1.050	50	30	BDGC	
Cn1cc(C(=O)O)c(CCCCl)n1	98096586	YAZFLHCSQMFSHT-UHFFFAOYSA-N	202.641	1.290	50	30	BDGC	in-vitro
O=C1C[C@@]2(CCN(Cc3ccccc3)C2)C(=O)O1	101021682	QDCLTYQTNXXSQP-CQSZACIVSA-N	245.278	1.352	50	30	BDGC	
Cc1ncsc1C(=O)CNC(=O)CCCl	88613746	QEDYBZHVVZLBCI-UHFFFAOYSA-N	246.719	1.379	50	30	BDGC	in-vitro
C/C(NO)=C(\N=O)N(CCCl)CCCl	135878464	CWPMJGQUDRTXRU-SREVYHEPSA-N	242.106	1.700	50	30	BDGC	
CC(=O)OC[C@@H]1CCCN1C(=O)Cl	116808418	KDAVLQBHQLEGGY-ZETCQYMHSA-N	205.641	1.373	50	30	BDGC	
CC1(CBr)COC(=O)OC1	238253374	NXPZBWYAWXVJNT-UHFFFAOYSA-N	209.039	1.554	50	30	BDGC	in-vitro
CCS(=O)(=O)CCCBr	35319977	YKCWETDXIUVPFD-UHFFFAOYSA-N	215.112	1.206	50	30	BDGC	in-vitro
CC(C)(C)OC(=O)N(N)c1cccnc1	117021927	NYYDVCCHFXPEMP-UHFFFAOYSA-N	209.249	1.697	50	30	BDGC	
Cn1cc(C=NC(C#N)=C(N)C#N)c2ccccc21	2265272036	JRZZCPQKEGMRLI-UHFFFAOYSA-N	249.277	1.815	50	30	BDGC	
CC[Si](CC)(OC(C)=O)OC(C)=O	195767124	JQNJIBYLKBOSCM-UHFFFAOYSA-N	204.298	1.595	50	30	BDGC	
N[C@@H](C(=O)Cl)c1ccc(O)c(Cl)c1	33610978	NBJJFYHAPINUIU-SSDOTTSWSA-N	220.055	1.811	50	30	BDGC	
CO[C@@H](CBr)[C@@H]1CCCOC1	950757533	QDIDCLJDIVXTLZ-SFYZADRCSA-N	223.110	1.823	50	30	BDGC	
C[C@@H](Br)C(=O)[C@@H]1CCCOC1	725673456	VMDXSAVAQCTULN-RNFRBKRXSA-N	221.094	1.766	50	30	BDGC	
Cc1ccc([C@]2(C(N)=O)O[C@H]2Cl)c(Cl)c1	6070619	RUCYUEOPKJWVRX-SCZZXKLOSA-N	246.093	1.924	50	30	BDGC	
CNC(=O)[C@@H](Br)Cc1ccccc1	95348204	GJWKSNUMCGDMIC-VIFPVBQESA-N	242.116	1.739	50	30	BDGC	
COC(N)=C(C#N)N=Cc1ccc(C#N)cc1	2265279474	NACMDKNMKUXFJW-UHFFFAOYSA-N	226.239	1.275	50	30	BDGC	
O=C1O[C@H](CBr)CC12CC2	98095377	UFRZINCVUBJKLD-YFKPBYRVSA-N	205.051	1.477	50	30	BDGC	in-vitro
C[C@@H](Cl)OC(=O)CNC(=O)OC(C)(C)C	1535639617	WBYWODCMSWMQOA-LURJTMIESA-N	237.683	1.639	50	30	BDGC	
Cc1nc(-c2c(C(=O)NN)noc2C)cs1	122451	KOWAIYAITQXVMK-UHFFFAOYSA-N	238.272	1.018	50	30	BDGC	
O=C(CCCl)NC(=O)NCCC(F)(F)F	63101875	KWXDDWKPOBGSQY-UHFFFAOYSA-N	246.616	1.394	50	30	BDGC	
O=C1OC(=O)c2cc3scnc3cc21	100132736	HCHNRDRBNUHVSL-UHFFFAOYSA-N	205.194	1.607	50	30	BDGC	
N#CC(N)=C(C#N)N=Cc1ccc(Cl)cc1	2265210486	KJZDATYEDLQQIQ-UHFFFAOYSA-N	230.658	1.976	50	30	BDGC	
CC(=O)/C(C)=N/NC(=O)Cc1cccs1	13469958	HHNQPQCNEAJSEH-YRNVUSSQSA-N	224.285	1.372	50	30	BDGC	
ICCC[C@@H]1CO1	141839557	CDTNXHPTAOCBTR-RXMQYKEDSA-N	212.030	1.600	50	30	BDGC	
O=C1Cc2cc(Br)ccc2C(=O)O1	117895905	ALIXFQVQRAXYSL-UHFFFAOYSA-N	241.040	1.689	50	30	BDGC	
CN1CCC[C@@H](CBr)C1=O	299805500	QRPDNFCNRVEUIB-LURJTMIESA-N	206.083	1.250	50	30	BDGC	
N[C@H](C(=O)Cl)c1ccc(O)c(Cl)c1	33610979	NBJJFYHAPINUIU-ZETCQYMHSA-N	220.055	1.811	50	30	BDGC	
COC(=O)[C@H]1CC[C@H](C(=O)CCl)CC1	2265385034	RAXLTUMNDYEANG-ZKCHVHJHSA-N	218.680	1.774	50	30	BDGC	
N#CC(C#N)=C(N)Nc1cccc(Cl)c1	128832	BNEZLLATENRWEW-UHFFFAOYSA-N	218.647	1.969	50	30	BDGC	
COC(=O)NN=Cc1ccc(N(C)C)cc1	8855441	WSBYAMLSZOGPJK-UHFFFAOYSA-N	221.260	1.443	50	30	BDGC	
O[C@@H](CCl)CN1CCC(F)(F)CC1	405067351	UGZFNMJABLQEJE-ZETCQYMHSA-N	213.655	1.317	50	30	BDGC	
NC(=O)c1ccc(C(=O)CBr)s1	95933063	UEIAQIIRSAGLJM-UHFFFAOYSA-N	248.101	1.425	50	30	BDGC	
CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)CCl)C2	256007913	VWTGJYAUYFEGMB-BRPSZJMVSA-N	217.696	1.394	50	30	BDGC	
[BH3-][P@+](C)(c1ccccc1)c1ccccc1OC	604973416	HIDLDBSRFJHYJI-QGZVFWFLSA-N	244.083	1.574	50	30	BDGC	
Cc1ncc([N+](=O)[O-])n1CCCCl	5116470	JCQFIQJFPHTLGY-UHFFFAOYSA-N	203.629	1.729	50	30	BDGC	
COc1cc(C(=O)Cl)cc2c1OCO2	14489948	FOIIGBZKBPCMII-UHFFFAOYSA-N	214.604	1.803	50	30	BDGC	
CCCOCCOCCBr	82528655	JGWJDTGZWADKJD-UHFFFAOYSA-N	211.099	1.825	50	30	BDGC	
IC[C@H]1CC2(CC2)CO1	536956814	BXKPLCBMQBFODT-ZCFIWIBFSA-N	238.068	1.991	50	30	BDGC	
C[C@@H](NNC(=O)OC(C)(C)C)C1CC1	95347888	ZZJVGYWAJFXOLY-SSDOTTSWSA-N	200.282	1.814	50	30	BDGC	in-vitro
CCCCCCc1csc(B(O)O)c1	198641013	UODUZZODASYJTE-UHFFFAOYSA-N	212.123	1.551	50	30	BDGC	
N#C[C@@H](OCCBr)C1CC1	1535542751	XELKRLAGXCRRKW-SSDOTTSWSA-N	204.067	1.700	50	30	BDGC	
CCOC(=O)c1c(C)nn(C)c1CCl	34135626	FJZBGVNATIIYMB-UHFFFAOYSA-N	216.668	1.644	50	30	BDGC	
COC(=O)C1(CBr)CCC1	238372845	DLBQYJRCFJGWFS-UHFFFAOYSA-N	207.067	1.725	50	30	BDGC	
COCC1(CBr)C[C@@H]2O[C@H]2C1	1554770558	WYYNFXOJJIMARH-BQBZGAKWSA-N	221.094	1.575	50	30	BDGC	
COC(=O)CC[C@H](O[Si](C)(C)C)C(=O)OC	195809597	HDZRXELXNZUIKT-QMMMGPOBSA-N	248.351	1.333	50	30	BDGC	
NNC(=O)CCc1nc2ccccc2s1	36962655	RTVBKJHNCNYXSE-UHFFFAOYSA-N	221.285	1.219	50	30	BDGC	
COC(=O)[C@@H]1CC[C@@H]1CBr	238337486	HPNBRXHWDWEMJM-PHDIDXHHSA-N	207.067	1.581	50	30	BDGC	
C[C@@H]1CCC[C@H](NNC(=O)c2ccncc2)C1	2018625	MVFSFRSWCGDGFZ-PWSUYJOCSA-N	233.315	1.895	50	30	BDGC	
O=C1CN(c2ccc(Cl)cc2)CC(=O)O1	111217733	ZFNBTNYQKIAOJE-UHFFFAOYSA-N	225.631	1.230	50	30	BDGC	
CC1(C)COC[C@@H](CBr)O1	238234458	LXPGPVACNREJNL-ZCFIWIBFSA-N	209.083	1.575	50	30	BDGC	
COP(=O)(COCCCl)OC	238356901	JQNJOQGFNKKCFR-UHFFFAOYSA-N	202.574	1.685	50	30	BDGC	
COc1cccc(C(=O)CBr)n1	141009639	JAXGQRZSXWUJDV-UHFFFAOYSA-N	230.061	1.668	50	30	BDGC	in-vitro
CCOC(C)=NNC(=O)c1ccccc1	4060624	WWNPSYIBHQQMKU-UHFFFAOYSA-N	206.245	1.786	50	30	BDGC	
C[C@@H](Br)OC(=O)Cc1ccncc1	96330790	BCHJOUNLWOMJMO-ZETCQYMHSA-N	244.088	1.908	50	30	BDGC	
C[Si](C)(C)NS(=O)(=O)O[Si](C)(C)C	195767099	DJDBZHRIKZSDOX-UHFFFAOYSA-N	241.461	1.507	50	30	BDGC	
CCOC(=O)/C(C#N)=C/N[C@H]1CCSC1	20421222	VSPJQAMBRMNWGY-ORZBULNSSA-N	226.301	1.052	50	30	BDGC	
CN(C)/C=C1\OC(=O)C(C#N)=C1c1ccccc1	31333508	GWZYSXKZOOVIDP-XFXZXTDPSA-N	240.262	1.924	50	30	BDGC	
CNc1nc(C(=O)CBr)c[nH]1	39055790	PAVHIJXMYDYXKN-UHFFFAOYSA-N	218.054	1.029	50	30	BDGC	
CCOC(=O)NN=C1CCN(CC)CC1	95921891	LFAZKXVSGNOFRI-UHFFFAOYSA-N	213.281	1.204	50	30	BDGC	
COC(=O)[C@H](Cl)CNC(=O)c1ccccc1	98209936	UTKXGCLWAMOEOJ-SECBINFHSA-N	241.674	1.197	50	30	BDGC	
CC(C)(C)n1cc(CBr)nn1	116108377	FVWFYCHAJGZUFJ-UHFFFAOYSA-N	218.098	1.928	50	30	BDGC	in-vitro
Cc1[nH]cnc1C(=O)CBr	39055314	NHZTZQDWMOWTJF-UHFFFAOYSA-N	203.039	1.296	50	30	BDGC	
O=C1O[C@H](CBr)CC12CCC2	97053850	YCJYTTJFZUBJGC-LURJTMIESA-N	219.078	1.867	50	30	BDGC	in-vitro
O=C(Cl)c1ccc2[nH]ccc(=O)c2c1	39057316	AXTZDPMEUYBGME-UHFFFAOYSA-N	207.616	1.907	50	30	BDGC	
O=[N+]([O-])CCCI	32240793	UTSDWNXMKBEJCR-UHFFFAOYSA-N	214.990	1.088	50	30	BDGC	
ICCn1ccnc1	82880007	XYXUGOUFBJRXND-UHFFFAOYSA-N	222.029	1.318	50	30	BDGC	
CCOc1ccc(/C=N/NC(=O)C#N)cc1	204985070	QWPYEJWBTLUHQI-MDWZMJQESA-N	217.228	1.059	50	30	BDGC	
CCN(CC(F)(F)F)C(=O)CCl	42766562	WSCPWJANBHNLSY-UHFFFAOYSA-N	203.591	1.636	50	30	BDGC	
CCN1CCC(=NNC(=O)c2ccoc2C)CC1	95921889	LHGQYPSTUMZUMY-UHFFFAOYSA-N	249.314	1.790	50	30	BDGC	
N#C/C(N)=C(C#N)/N=C/c1ccc(C#N)cc1	2147813	UXKDPAKFMYGDJS-YPIQWWGMSA-N	221.223	1.195	50	30	BDGC	
C[C@@H](Br)OC(=O)Cc1cccnc1	238403486	DIXZDIKLTLRNRN-ZETCQYMHSA-N	244.088	1.908	50	30	BDGC	
CCOC(=O)[C@@](Cl)(N=C=O)C(F)(F)F	2159459	XSXGRHWYQKHWEI-RXMQYKEDSA-N	231.557	1.383	50	30	BDGC	
CC(C)OCCI	59974979	UWIHFAMNCKJWKW-UHFFFAOYSA-N	214.046	1.846	50	30	BDGC	in-vitro
Cc1nc(-c2cccs2)sc1C(=O)NN	120847	NIAHPOURQOOMID-UHFFFAOYSA-N	239.325	1.784	50	30	BDGC	
BrCCOC1CCOCC1	40992864	ANEDXWKNBNWIPD-UHFFFAOYSA-N	209.083	1.577	50	30	BDGC	
COC(=O)[C@H](Cl)C(=O)c1ccco1	100133266	XBNUUBPAUYZCIF-ZCFIWIBFSA-N	202.593	1.243	50	30	BDGC	
BrC[C@@H]1CN2CCC1CC2	39471189	KWPUVZRMKACGBI-MRVPVSSYSA-N	204.111	1.723	50	30	BDGC	
O=C1CCC[C@@H](CCBr)O1	114728794	FHEQVWQLHIOUCE-LURJTMIESA-N	207.067	1.867	50	30	BDGC	
BrCCN1CCCOCC1	61932297	AYCPGBOFVUMDNP-UHFFFAOYSA-N	208.099	1.104	50	30	BDGC	
CSSCCC(=O)N(C)[C@H](C)C(=O)O	148321796	OPKAUPROPWPLTQ-ZCFIWIBFSA-N	237.346	1.319	50	30	BDGC	
CCOC(=O)NNC(=S)NC[C@H](C)CC	3139073	YDNBCHBWKLPGLI-SSDOTTSWSA-N	233.337	1.158	50	30	BDGC	
CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)CCl)C2	256007912	VWTGJYAUYFEGMB-AYMMMOKOSA-N	217.696	1.394	50	30	BDGC	
O=C(Cl)C(Br)Br	5178416	LQBBYHUQQRZRLK-UHFFFAOYSA-N	236.290	1.868	50	30	BDGC	
Cn1c(=O)n(C)c2cc(CCl)ccc21	69803796	JHKSBQYGZMOPOK-UHFFFAOYSA-N	210.664	1.616	50	30	BDGC	
Nc1ccccc1C(=O)NCCBr	33608512	NOTMJIDCESLOQT-UHFFFAOYSA-N	243.104	1.394	50	30	BDGC	
COc1nn(C)c(C(=O)Cl)c1Cl	39057395	AGIMJGHCMFKOLC-UHFFFAOYSA-N	209.032	1.461	50	30	BDGC	
CC[C@H](C)[C@@H](NC(C)=O)C(=O)O[Si](C)(C)C	195758537	NGMIELPQPWGHMA-WCBMZHEXSA-N	245.395	1.915	50	30	BDGC	
CCOC(=O)NNc1ccc(C#N)cc1	219370793	MYGBVZCLSRYVPB-UHFFFAOYSA-N	205.217	1.631	50	30	BDGC	
COc1cc(C(=O)Cl)ccc1OC(C)=O	5166846	YRZKSSFRGXBQKU-UHFFFAOYSA-N	228.631	2.000	50	30	BDGC	
CC1(C)C[C@H](CCBr)C(=O)N1	1535642499	JEZQSZNTUQPAFK-LURJTMIESA-N	220.110	1.686	50	30	BDGC	
NC(=O)[C@@H](Br)C1CCCC1	238611040	QGBAGJFSWPOCAT-LURJTMIESA-N	206.083	1.425	50	30	BDGC	
CCOC(=O)[C@@H](Br)[C@H]1CC1(F)F	95774554	AGTQZPPQNHMMIN-UHNVWZDZSA-N	243.047	1.968	50	30	BDGC	
C=C(C)C(=O)O[C@H](C)C[Si](OC)(OC)OC	195772177	XTVNGRMJOGNDOG-SECBINFHSA-N	248.351	1.372	50	30	BDGC	
BrC[C@H]1OCCOC12CCC2	2265385309	GRHHKWLYQYBFMA-SSDOTTSWSA-N	221.094	1.719	50	30	BDGC	
N#CC(N)=C(C#N)N=CC=Cc1ccccc1	2265272092	XOWPPFGMBUWMBZ-UHFFFAOYSA-N	222.251	1.988	50	30	BDGC	
CCNC(=O)/C(C#N)=C/c1cccs1	98946	QLCCWMZGUJHZOO-SOFGYWHQSA-N	206.270	1.791	50	30	BDGC	
CCOC(=O)[C@H](Br)[C@@H]1CC1(F)F	95774549	AGTQZPPQNHMMIN-CRCLSJGQSA-N	243.047	1.968	50	30	BDGC	
CCOC(=O)c1cncnc1CCl	26510193	DXAYETVUJFKIDW-UHFFFAOYSA-N	200.625	1.392	50	30	BDGC	in-vitro
C[C@@H]1[C@H](N=C=O)[C@@H](C)[C@@H](C)[C@H](N=C=O)[C@H]1C	256090731	QKNMFOYJBHCEGR-IQMQYZSSSA-N	222.288	1.953	50	30	BDGC	
CCOC(=O)[C@H]1CC[C@@H]1Br	60015007	NVYFOAIDPCMXGS-WDSKDSINSA-N	207.067	1.723	50	30	BDGC	
CCOC(=O)c1coc(CBr)n1	32301966	UIZIBTYIZFDYCC-UHFFFAOYSA-N	234.049	1.746	50	30	BDGC	
CC(=O)N(C)c1nc(CSC#N)cs1	2265384704	MMYHDLIQAUVNSC-UHFFFAOYSA-N	227.314	1.840	50	30	BDGC	
O=C1Cc2ccccc2N1C(=O)C(Cl)Cl	136870112	MAYDTQJAJFUYPN-UHFFFAOYSA-N	244.077	1.906	50	30	BDGC	
N#CSc1nc(Cl)ncc1[N+](=O)[O-]	40435124	GVMBHKFNIKBISV-UHFFFAOYSA-N	216.609	1.611	50	30	BDGC	in-vitro
COc1ccc(C(=O)Cl)c([N+](=O)[O-])c1OC	96329040	NLZNAGJJQIZOIM-UHFFFAOYSA-N	245.618	1.991	50	30	BDGC	
N#CC(N)=C(C#N)N=Cc1ccsc1	2265224231	KMFRZLSSGGGTSE-UHFFFAOYSA-N	202.242	1.384	50	30	BDGC	
C[C@@]1(C(=O)CBr)CCCCO1	39054662	LFTZYFAAORAAFO-QMMMGPOBSA-N	221.094	1.910	50	30	BDGC	
O=C(NCCCl)N(CCCl)CCCl	72400682	JAPJXWYJPQGRMZ-UHFFFAOYSA-N	247.553	1.714	50	30	BDGC	in-vitro
CNC(=O)[C@H](Br)Cc1ccccc1	95348203	GJWKSNUMCGDMIC-SECBINFHSA-N	242.116	1.739	50	30	BDGC	
NNC(=O)c1nc2cc(F)ccc2n2cccc12	1848349942	JIDKDMYLAMVVER-UHFFFAOYSA-N	244.229	1.230	50	30	BDGC	
CCCCC#Cc1ccc(C(=O)NN)o1	4364135	FNFSCFDVJNGZPL-UHFFFAOYSA-N	206.245	1.425	50	30	BDGC	
Nc1ccc([N+](=O)[O-])cc1C(=O)Cl	39239877	PFRGLHKHLRFHMU-UHFFFAOYSA-N	200.581	1.556	50	30	BDGC	
NNC(=O)Cc1csc(-c2cccs2)n1	120947	YWRZCWBUDVMWPJ-UHFFFAOYSA-N	239.325	1.404	50	30	BDGC	
CC(C)(C)OC(=O)N(N)CC(F)(F)F	306264269	COMYNSFGPGRFAI-UHFFFAOYSA-N	214.187	1.660	50	30	BDGC	
CCN1CCC[C@H](Br)C1=O	70060716	QMNCTCDOZNVJIC-LURJTMIESA-N	206.083	1.392	50	30	BDGC	
C[C@]1(C(=O)CBr)CCCCO1	39054661	LFTZYFAAORAAFO-MRVPVSSYSA-N	221.094	1.910	50	30	BDGC	
CO[C@H](CBr)[C@H]1CCOC1	390822059	YUIMNEHZPGSOKA-NKWVEPMBSA-N	209.083	1.433	50	30	BDGC	
CN(C)/C=C(\C#N)C(=O)Nc1ccccc1F	12339265	WVNBHGPUTGENNT-CMDGGOBGSA-N	233.246	1.733	50	30	BDGC	
Nc1ccc2c(CCl)cc(=O)[nH]c2n1	34346092	UHVCCXMNBLZSGH-UHFFFAOYSA-N	209.636	1.244	50	30	BDGC	in-vitro
Cc1cc(N/C=C(/C#N)C(=O)C2CC2)no1	2147623	AEQBWRCNWHPVTL-TWGQIWQCSA-N	217.228	1.782	50	30	BDGC	
C[C@@]1(CI)COCCO1	725262606	CAGHUPMRAVHHIE-ZCFIWIBFSA-N	242.056	1.227	50	30	BDGC	
Cn1ccnc1SSc1nccn1C	39203771	VWGKCNYHKYTHBR-UHFFFAOYSA-N	226.330	1.953	50	30	BDGC	
CC(=O)N1CCC(C(=O)CBr)CC1	113281195	SJHFANAAUIRSLR-UHFFFAOYSA-N	248.120	1.209	50	30	BDGC	
CCOC(=O)c1nc(CCl)ns1	117581181	YLXKAALCBLVOCL-UHFFFAOYSA-N	206.654	1.454	50	30	BDGC	
CC(=O)Nc1ccc(/C=C(\C#N)C(N)=O)cc1	71192	KZYALRXGZUUWDD-UXBLZVDNSA-N	229.239	1.037	50	30	BDGC	
O=C1CC(CCC(F)(F)F)CC(=O)O1	1536101380	OLIWRRIOQAWQDI-UHFFFAOYSA-N	210.151	1.809	50	30	BDGC	
CC(C)CN1CCN(C(=O)CCl)CC1	24868720	KAXZSNMAZHKNOA-UHFFFAOYSA-N	218.728	1.025	50	30	BDGC	
COc1ccc([N+](=O)[O-])cc1C(=O)Cl	34133248	NFODTGKNJTZWLV-UHFFFAOYSA-N	215.592	1.982	50	30	BDGC	
N#C/C(N)=C(C#N)\N=C\c1cccs1	95628209	MPZLCSFODCVTFK-MZXXYDPMSA-N	202.242	1.384	50	30	BDGC	
CC(C)(C)OC(=O)N[C@H]1CC=C(B(O)O)CC1	221284064	ZIALHTWCTUMUEZ-VIFPVBQESA-N	241.096	1.002	50	30	BDGC	
Cc1ncccc1C(=O)CBr	39055601	SERFREJMOOXTKQ-UHFFFAOYSA-N	214.062	1.968	50	30	BDGC	
CCN1C[C@H](CBr)OC1=O	82377458	FUSFAKOTEDNVCI-YFKPBYRVSA-N	208.055	1.222	50	30	BDGC	
CC(=O)N1CCC[C@@H](C(=O)CBr)C1	211907077	TUHBXJHBYUUKRP-MRVPVSSYSA-N	248.120	1.209	50	30	BDGC	
CC[C@@H](O)CI	82880774	XATASVWMNXKVMR-SCSAIBSYSA-N	200.019	1.192	50	30	BDGC	
CN(C)c1ccc(C=NC(C#N)=C(N)C#N)cc1	2265272066	QPBXVINHXQCKKI-UHFFFAOYSA-N	239.282	1.389	50	30	BDGC	
N#Cc1csc(CBr)n1	116430438	BVHJWNRMSBGEKD-UHFFFAOYSA-N	203.064	1.910	50	30	BDGC	
O=C(O)C[C@@]1(CBr)CCOC1	2265385003	OXEAVIRTQDGGHX-SSDOTTSWSA-N	223.066	1.263	50	30	BDGC	
CCOC(=O)c1nn(C)c(C)c1CCl	2265383707	UXXNAUPLQWXOTJ-UHFFFAOYSA-N	216.668	1.644	50	30	BDGC	
CC(C)(C)OC(=O)NCc1nc(CCl)no1	216716557	DYBYYSCJKNRUCY-UHFFFAOYSA-N	247.682	1.833	50	30	BDGC	
CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)O	200989250	GCHZIDHLCYJWEH-ZETCQYMHSA-N	219.357	1.420	50	30	BDGC	
S=C=NCCOCCOCCN=C=S	138886063	OLLSVJGETDPXLZ-UHFFFAOYSA-N	232.330	1.225	50	30	BDGC	
O=C=Nc1ccc(N2CCOCC2)cc1	38532555	BJSOSHBGDPCFLO-UHFFFAOYSA-N	204.229	1.491	50	30	BDGC	
CCOP(=O)(OCC)[C@@H](Cl)C(=O)O	36421284	YSQPMPQXDVTWEY-RXMQYKEDSA-N	230.584	1.902	50	30	BDGC	
CC(C)O[C@]1(CBr)CCOC1	307359918	DYLHADPHWQMEEJ-QMMMGPOBSA-N	223.110	1.965	50	30	BDGC	
CC(C)(CBr)CS(C)(=O)=O	82164421	BYLWRXDJHRLRNV-UHFFFAOYSA-N	229.139	1.452	50	30	BDGC	in-vitro
CCOC(=O)c1cn(C)nc1CCl	196721022	GJQRGCVYMTZOQI-UHFFFAOYSA-N	202.641	1.336	50	30	BDGC	
O=C(CCCl)NCC(=O)c1ccccc1	68575805	XWWHRXPVWFINSJ-UHFFFAOYSA-N	225.675	1.614	50	30	BDGC	in-vitro
I[C@@H]1CC[C@H]2CO[C@H]1C2	584879988	LVVJXHZCNVJJAT-QYNIQEEDSA-N	238.068	1.989	50	30	BDGC	
CC(C)S(=O)(=O)CBr	2265384640	DFLFXCGSXIHTPY-UHFFFAOYSA-N	201.085	1.162	50	30	BDGC	
O=C(NN=C1C=CC(=NO)C=C1)c1ccccc1	5849105	MQIVNMHALJNFMG-UHFFFAOYSA-N	241.250	1.729	50	30	BDGC	in-vitro
COC(=O)[C@@H](Cl)C(=O)c1ccco1	100133267	XBNUUBPAUYZCIF-LURJTMIESA-N	202.593	1.243	50	30	BDGC	
ClCc1nnc(N2CCCCC2)o1	236022849	NVSLDTPJZGEVGR-UHFFFAOYSA-N	201.657	1.799	50	30	BDGC	
CCCCNC[Si](OCC)(OCC)OCC	195811994	NUIHYBYNCRBAJK-UHFFFAOYSA-N	249.427	1.964	50	30	BDGC	
COc1ccc(OC)c([C@@H](O)CCl)c1	12506264	YWTLEXRPUFPCQB-VIFPVBQESA-N	216.664	1.976	50	30	BDGC	
CCC[C@@](C)(NC(=O)CCl)C(=O)OC	95348461	FKLATXULHRXHTD-SECBINFHSA-N	221.684	1.073	50	30	BDGC	in-vitro
COC(=O)CC[C@@H](Br)C(C)=O	1998476	AOWIKWNIPGIZGG-ZCFIWIBFSA-N	223.066	1.292	50	30	BDGC	
CS(=O)(=O)Cc1nc(CCl)cs1	52788560	YXPPCSCZLURCBR-UHFFFAOYSA-N	225.722	1.427	50	30	BDGC	in-vitro
N#CC(C#N)=Cc1cc(O)c(O)cc1O	39096203	FQXQPDTZQLCEKN-UHFFFAOYSA-N	202.169	1.234	50	30	BDGC	
CC(C)(C)OC(=O)N[C@@H]1CC=C(B(O)O)CC1	221284118	ZIALHTWCTUMUEZ-SECBINFHSA-N	241.096	1.002	50	30	BDGC	
Cn1ccc(CBr)cc1=O	116983690	TXLBLTVJLCDDJQ-UHFFFAOYSA-N	202.051	1.280	50	30	BDGC	
CCN(C)CCI	190855128	NPKUTFDIVLSWQJ-UHFFFAOYSA-N	213.062	1.373	50	30	BDGC	
Cc1sc(-c2ccccc2)cc1B(O)O	198643674	VGHQIYVIUIHYBL-UHFFFAOYSA-N	218.086	1.403	50	30	BDGC	
CCCNC(=O)NNC1=NCCc2ccccc21	12367558	IKWSECJHZDXGAP-UHFFFAOYSA-N	246.314	1.203	50	30	BDGC	
BrCCN1C[C@@H]2CC[C@H](C1)O2	85541024	NLWCIIPPWOSSCK-OCAPTIKFSA-N	220.110	1.245	50	30	BDGC	
CCOc1ccccc1[C@@H]1NC(=O)OC1=O	138065895	FAVVJZKBJYPIKQ-VIFPVBQESA-N	221.212	1.393	50	30	BDGC	
O=C(c1ccccc1)[C@@H](O)Br	39055660	VPKKKVKUOKACNC-MRVPVSSYSA-N	215.046	1.583	50	30	BDGC	
CCOC(=O)N1CCN(C(=O)Cl)CC1	196782125	GGOLVOARSIMXMZ-UHFFFAOYSA-N	220.656	1.119	50	30	BDGC	
FC(F)[C@H](CCCl)N1CCOCC1	958719523	LUQGQAFRWORCGE-ZETCQYMHSA-N	213.655	1.581	50	30	BDGC	
CN(C)C=NC(=O)C(C#N)=Cc1ccncc1	2265276337	WSAZBRHWGBAWSO-UHFFFAOYSA-N	228.255	1.105	50	30	BDGC	
BrCCN1C[C@H]2CC[C@H]1C2	104897565	VHPYHTSFLWGRIA-YUMQZZPRSA-N	204.111	1.866	50	30	BDGC	
O=C1C[C@]2(CCN(Cc3ccccc3)C2)C(=O)O1	101021681	QDCLTYQTNXXSQP-AWEZNQCLSA-N	245.278	1.352	50	30	BDGC	
N#CC(N)=C(C#N)N=Cc1ccc2c(c1)OCO2	2265272113	ZYSQXVMPLJKAOJ-UHFFFAOYSA-N	240.222	1.052	50	30	BDGC	
Cc1cc(C(=O)NNCCC(C)C)no1	33641909	JLDWSOFVBVTHFW-UHFFFAOYSA-N	211.265	1.264	50	30	BDGC	
BrC[C@H]1CC[C@]2(CCOC2)O1	306430187	QKAURQGZXCJRCG-HTQZYQBOSA-N	221.094	1.719	50	30	BDGC	
O[C@@H](CCl)CN1CCCC(F)(F)C1	405029272	NZKLFBDXIZHVAN-ZETCQYMHSA-N	213.655	1.317	50	30	BDGC	
CCCCOCCOC(=O)[C@@H](C)Cl	5821447	XRATVFQSBIVRAJ-MRVPVSSYSA-N	208.685	1.974	50	30	BDGC	
CS(=O)(=O)Cc1ccc(CCl)cc1	76980911	DMHTZSBEUOXPKG-UHFFFAOYSA-N	218.705	1.970	50	30	BDGC	
C=C(C)C(=O)O[C@@H](C)C[Si](OC)(OC)OC	195772176	XTVNGRMJOGNDOG-VIFPVBQESA-N	248.351	1.372	50	30	BDGC	
CC1(C)COC[C@H](CBr)O1	238234559	LXPGPVACNREJNL-LURJTMIESA-N	209.083	1.575	50	30	BDGC	
CCOC(=O)c1ccccc1[C@H](O)C#N	95847868	NNVDPAPNLPPCAS-SNVBAGLBSA-N	205.213	1.420	50	30	BDGC	
CC(C)C(=O)OCI	38674371	KWIBRJGXWFDQNU-UHFFFAOYSA-N	228.029	1.578	50	30	BDGC	
COC(=O)[C@H]1[C@@H](C(=O)CCl)C1(C)C	39055376	LAIZJMBDBAKCOZ-RNFRBKRXSA-N	204.653	1.240	50	30	BDGC	
CCOC(=O)NNC(=S)NC1CCCCC1	3126912	VIMGPEYJJPWUPN-UHFFFAOYSA-N	245.348	1.444	50	30	BDGC	
C[C@H](CBr)CN1CCOCC1	83156742	KBQXRUZLEXZYBY-MRVPVSSYSA-N	222.126	1.350	50	30	BDGC	
COC(=O)CC[C@H](Br)C(C)=O	1998477	AOWIKWNIPGIZGG-LURJTMIESA-N	223.066	1.292	50	30	BDGC	
O=C1NCCCC[C@H]1CBr	642882440	ZXVHHQWEZYZWSK-LURJTMIESA-N	206.083	1.298	50	30	BDGC	
C/C(NNc1ccccc1)=C(/C#N)C(N)=S	4394728	PITXPEVIAZIQSF-CSKARUKUSA-N	232.312	1.687	50	30	BDGC	
CSC(C)(C)C=NOC(=O)N(C)N=O	382586306	REOBLFQFMWNHKP-UHFFFAOYSA-N	219.266	1.864	50	30	BDGC	
CC(=O)SCI	1535646165	JXALJIJPVNAXQK-UHFFFAOYSA-N	216.043	1.659	50	30	BDGC	
CC(C)OC[C@H](O)CI	75772110	SVJUEFKXTHJJEN-ZCFIWIBFSA-N	244.072	1.207	50	30	BDGC	
CC(C)(C)N1CC[C@@H](Br)C1=O	82606596	SIGBSXRCJMDTJW-ZCFIWIBFSA-N	220.110	1.781	50	30	BDGC	
COCCOC(=O)Oc1ccc([N+](=O)[O-])cc1	100417939	VICULOXVGGBWFP-UHFFFAOYSA-N	241.199	1.757	50	30	BDGC	
O=C1C[C@@]2(CCc3ccccc32)C(=O)O1	101417109	JXJAHNQEJPFBPV-GFCCVEGCSA-N	202.209	1.344	50	30	BDGC	
O=C(CCl)[C@@H]1CC[C@@H]2CC[C@H](O)C[C@@H]21	256882162	UGZFMOUIJAVIJS-QEYWKRMJSA-N	216.708	1.982	50	30	BDGC	
N#C/C(=C\c1ccc[nH]1)C(=O)N1CCCCC1	137303	NSTFNUWWMSNXQS-PKNBQFBNSA-N	229.283	1.934	50	30	BDGC	
NC(=O)c1ccc(CBr)c(F)c1	88108013	XCVZLKJBFRDHMR-UHFFFAOYSA-N	232.052	1.820	50	30	BDGC	
COC(=O)NNc1cc(C(F)(F)F)ccn1	78068	FVKUZMUPKKSDEK-UHFFFAOYSA-N	235.165	1.783	50	30	BDGC	
COC(=O)NN=C(C)c1cccc(O)c1	254703898	VYEXCNVXKXWQID-UHFFFAOYSA-N	208.217	1.472	50	30	BDGC	
C[C@H](Br)OC(=O)Cc1ccccn1	238523740	VQUDYRULYVWTQT-SSDOTTSWSA-N	244.088	1.908	50	30	BDGC	
BrC[C@@H]1CC(C2CC2)=NO1	714297614	JVNGVEPLBDGMOA-LURJTMIESA-N	204.067	1.936	50	30	BDGC	
O=C1Nc2ccccc2O[C@@H]1Br	60013711	ZQJFOGYRODBABR-ZETCQYMHSA-N	228.045	1.739	50	30	BDGC	
CN(C)C=C(C#N)C(=O)NN=Cc1ccccc1	2265270031	AEQHXGCAPYZDPH-UHFFFAOYSA-N	242.282	1.106	50	30	BDGC	
CC(C)C(=O)NN=Cc1ccc(O)cc1O	381541869	IYUFGLHQAKOZAS-UHFFFAOYSA-N	222.244	1.204	50	30	BDGC	
CCn1nc(C)c(CBr)n1	238856331	VNVAMTOAZVACHK-UHFFFAOYSA-N	204.071	1.501	50	30	BDGC	
C=C[C@@]1(O[Si](C)(C)C)C[C@H]1C(=O)OC	196462659	MKSSKEQKYSLVRO-WCBMZHEXSA-N	214.337	1.956	50	30	BDGC	
CCO[Si](OCC)(OCC)c1cccnc1	195943003	DDBKHNYWLUTKDZ-UHFFFAOYSA-N	241.363	1.337	50	30	BDGC	
COC(=O)C[C@@]1(CBr)CCOC1	2265385536	HTRQYHJLQRREEH-MRVPVSSYSA-N	237.093	1.351	50	30	BDGC	
C[C@@H]1CC[C@H](CI)O1	32229813	UORBAIPDXXLMMX-PHDIDXHHSA-N	226.057	1.989	50	30	BDGC	in-vitro
C[N+](C)(C)CCI	2037409	NWKKUJPMZHQVOB-UHFFFAOYSA-N	214.070	1.128	50	30	BDGC	in-vitro
COC(=O)c1cscc1NC=C(C#N)C#N	82471	KHXNRJQQMSFKBG-UHFFFAOYSA-N	233.252	1.878	50	30	BDGC	
CCOC(=O)c1snnc1CCl	34284511	HYLBYNFARGMFNU-UHFFFAOYSA-N	206.654	1.454	50	30	BDGC	in-vitro
O=C(O)COc1ccccc1C(=O)Cl	39055820	ZWLUOLDAQUUBGB-UHFFFAOYSA-N	214.604	1.529	50	30	BDGC	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC)o1	223489398	CXQOCVOAOFWVHL-CSKARUKUSA-N	247.298	1.779	50	30	BDGC	
Cc1cncc(C(=O)CBr)c1	39055609	PDQTWYAUECYFNH-UHFFFAOYSA-N	214.062	1.968	50	30	BDGC	
OB(O)c1ccc(-c2ccc(Cl)cc2)s1	204248291	CUTPVNXHTVDBPD-UHFFFAOYSA-N	238.504	1.748	50	30	BDGC	
Cc1cc(Br)ccc1C(=O)NN	36829405	OFDKMEFKRYIHDS-UHFFFAOYSA-N	229.077	1.361	50	30	BDGC	
CCN1C(=O)c2ccccc2/C1=C(/N)C#N	137690417	LWJRZLDGGNPQHR-KHPPLWFESA-N	213.240	1.313	50	30	BDGC	
CC(=O)O[C@H]1CCCC[C@H]1C(=O)Cl	39057269	YADQCVHYKXNVIV-SFYZADRCSA-N	204.653	1.874	50	30	BDGC	
ICCn1cccn1	82879980	MZRPANQCJBYNGS-UHFFFAOYSA-N	222.029	1.318	50	30	BDGC	
N#Cc1cc(C(=O)CBr)co1	39055627	OEZNMATZKREWPW-UHFFFAOYSA-N	214.018	1.729	50	30	BDGC	
ClCc1nnc([C@@H]2CCCOC2)o1	62193540	CQJJORWMPDNWBH-ZCFIWIBFSA-N	202.641	1.702	50	30	BDGC	
FC(F)(F)[C@@H](CCCl)N1CCOCC1	950757447	FIZNWESGKCFNQE-SSDOTTSWSA-N	231.645	1.878	50	30	BDGC	
COc1cc2c(cc1O/C=C/C#N)CNCC2	223520866	AYKVPYOZKZPPTE-QHHAFSJGSA-N	230.267	1.757	50	30	BDGC	
CCOC(OCC)c1nc(CCl)no1	725262428	OLNXTHHYEHDOSP-UHFFFAOYSA-N	220.656	1.880	50	30	BDGC	
NCCP(=O)(c1ccccc1)c1ccccc1	108794630	PMLNXYWXKMFYII-UHFFFAOYSA-N	245.262	1.959	50	30	BDGC	
COC(=O)[C@@H](Cl)CNC(=O)c1ccccc1	98209937	UTKXGCLWAMOEOJ-VIFPVBQESA-N	241.674	1.197	50	30	BDGC	
CNC(=O)Cc1nc(CCl)cs1	21949628	NYKMDNDSFNUZOV-UHFFFAOYSA-N	204.682	1.170	50	30	BDGC	in-vitro
CCOCCOCCOCCBr	34348818	DXYATEXXIQWZLD-UHFFFAOYSA-N	241.125	1.451	50	30	BDGC	
NS(=O)(=O)c1ccccc1CCl	39619497	BJTQKRCFMBXXIJ-UHFFFAOYSA-N	205.666	1.073	50	30	BDGC	in-vitro
Cc1oc2ccc(O)cc2c1C(=O)NN	1020603	CDUYXQYJDHWBFY-UHFFFAOYSA-N	206.201	1.050	50	30	BDGC	
C[C@H](Br)C(=O)[C@@H]1CCCOC1	725673455	VMDXSAVAQCTULN-NKWVEPMBSA-N	221.094	1.766	50	30	BDGC	
N#Cc1ccc(S(=O)(=O)CCCl)cc1	35322267	ZDLOJWNTNFPUJU-UHFFFAOYSA-N	229.688	1.571	50	30	BDGC	in-vitro
C[C@H]1COC=CN1C(=O)C(Cl)Cl	100096372	QGSBLOPVSBCGOH-YFKPBYRVSA-N	210.060	1.509	50	30	BDGC	
N#CC1CCN(C(=O)CBr)CC1	575452085	JVAYEVRXORNMRS-UHFFFAOYSA-N	231.093	1.143	50	30	BDGC	
CC(C)O[C@@]1(CBr)CCOC1	307359917	DYLHADPHWQMEEJ-MRVPVSSYSA-N	223.110	1.965	50	30	BDGC	
CC(C)(C)OC(=O)N1CCC[C@@H](CN=C=O)C1	1535952453	IKMSSFXSLLWZHV-JTQLQIEISA-N	240.303	1.969	50	30	BDGC	
COC(=C(C#N)C#N)c1ccc([N+](=O)[O-])cc1	115844665	VHQNWVNVMDJLTF-UHFFFAOYSA-N	229.195	1.999	50	30	BDGC	
C[C@H]1CC[C@@H](CI)O1	32229811	UORBAIPDXXLMMX-WDSKDSINSA-N	226.057	1.989	50	30	BDGC	in-vitro
COc1cc(C(=O)CBr)on1	34109513	RYEZAVAVYVDROG-UHFFFAOYSA-N	220.022	1.261	50	30	BDGC	
BrC[C@H]1CC[C@@]2(CCOC2)O1	306430189	QKAURQGZXCJRCG-SFYZADRCSA-N	221.094	1.719	50	30	BDGC	
ClCc1cn(C2CCOCC2)nn1	68958228	ODSLTXULGWCDJY-UHFFFAOYSA-N	201.657	1.368	50	30	BDGC	
O=C1O[C@H](CBr)CCC12CC2	98095378	QCAJMZAWVBVDIL-LURJTMIESA-N	219.078	1.867	50	30	BDGC	in-vitro
C[C@H](NC(=O)OC(C)(C)C)C(=O)OCCl	34584140	MVUAMEQSMWWVQY-LURJTMIESA-N	237.683	1.639	50	30	BDGC	
COC(=O)[C@@H]1CC[C@H]1CBr	238338999	HPNBRXHWDWEMJM-NTSWFWBYSA-N	207.067	1.581	50	30	BDGC	
CC(C)[C@H](NC(=O)CCl)C(=O)OC(C)(C)C	299805385	LOFMXZVMZREBOY-VIFPVBQESA-N	249.738	1.708	50	30	BDGC	
CN(C(=O)OC(=O)NC1CC1)C(C)(C)C	669371098	VNOPXKAPGYSALV-UHFFFAOYSA-N	214.265	1.725	50	30	BDGC	
C[C@@H]1COC=CN1C(=O)C(Cl)Cl	100096367	QGSBLOPVSBCGOH-RXMQYKEDSA-N	210.060	1.509	50	30	BDGC	
C[C@@H]1C(N=C=O)[C@@H](C)[C@@H](C)C(N=C=O)[C@@H]1C	111896353	QKNMFOYJBHCEGR-VDUKMOIZSA-N	222.288	1.953	50	30	BDGC	
CCn1cc(C(=O)CBr)cn1	222116323	BNQBYYLHQFFATH-UHFFFAOYSA-N	217.066	1.481	50	30	BDGC	
CCOC(=O)c1nccc(CCl)n1	95642174	HWHMWNKDTYVIAT-UHFFFAOYSA-N	200.625	1.392	50	30	BDGC	
CO[C@@H](C)CCOC(=O)[C@H](C)Br	1711223	HGPKPMHJDZJVIY-BQBZGAKWSA-N	239.109	1.738	50	30	BDGC	
O=C(CBr)[C@@H]1C[C@H]2CC[C@H]1O2	307553646	LJHQTIFRHXOYMS-GKROBHDKSA-N	219.078	1.518	50	30	BDGC	
CCO[Si](OCC)(OCC)c1ccncc1	196837282	QTKVYJZLJBZISA-UHFFFAOYSA-N	241.363	1.337	50	30	BDGC	
NNC(=O)OCCSSc1ccccn1	115173591	JHBNPDLKNXPQHB-UHFFFAOYSA-N	245.329	1.422	50	30	BDGC	
CC(C)(C)CNC(=O)CBr	76499809	IFRWSGWGJXKGLZ-UHFFFAOYSA-N	208.099	1.544	50	30	BDGC	
C[C@@H]1CO[C@H](C)CO[Si](C)(C)O[C@H](C)CO1	196400577	GHXLVBXHSVWTGW-GMTAPVOTSA-N	248.395	1.934	50	30	BDGC	
FC(F)[C@@H](CCCl)N1CCOCC1	958719521	LUQGQAFRWORCGE-SSDOTTSWSA-N	213.655	1.581	50	30	BDGC	
CN(C)S(=O)(=O)c1ccc(CCl)s1	84156110	NBFSOVFTKXJVNK-UHFFFAOYSA-N	239.749	1.737	50	30	BDGC	
CCOC(=O)/C(C#N)=C/N(C)c1ccc(O)cc1	3137848	WLUZVISJKAQEAH-MDZDMXLPSA-N	246.266	1.799	50	30	BDGC	
CCCCC[C@H](C)S(=O)(=O)OOC(C)=O	111422630	WRUWUYLNUMCQJL-QMMMGPOBSA-N	238.305	1.780	50	30	BDGC	
COC(=O)[C@@]1(CBr)CCCO1	1535513509	UQBVHFQQKXZWSF-ZETCQYMHSA-N	223.066	1.104	50	30	BDGC	
CC1(C)CC2=C(C=O)[C@@]3(C=O)C[C@@]3(C)[C@@H](O)[C@@H]2C1	5762520	NFLNZGQBGCPDMT-WCUVEOEZSA-N	248.322	1.888	50	30	BDGC	
N#C[C@]1(OCCBr)CCOC1	958717107	YNIYTUSJCYKQTL-SSDOTTSWSA-N	220.066	1.081	50	30	BDGC	
O=C1C[C@]2(CCCc3ccccc32)C(=O)O1	100482533	DVWPADJMQGZCAA-ZDUSSCGKSA-N	216.236	1.734	50	30	BDGC	in-vitro
NNC(=O)c1cc(-c2ccccc2)ccc1O	38804369	ILMVMDVXZUGUGS-UHFFFAOYSA-N	228.251	1.663	50	30	BDGC	
COc1ccc(NNC(=O)C2CCC2)cc1	148600	KOJPIJCZXZWVCQ-UHFFFAOYSA-N	220.272	1.938	50	30	BDGC	
CCCCCNC(=S)NNC(=O)OCC	3078735	VACZBENLPAJDAW-UHFFFAOYSA-N	233.337	1.302	50	30	BDGC	
CC(C)(C)OC(=O)NCC(=O)OCCl	39351160	DUFKNCLUXASETI-UHFFFAOYSA-N	223.656	1.251	50	30	BDGC	
CC(C)(C)OC(=O)N(N)C1CCOCC1	117098776	WOUVQMPDKDWICZ-UHFFFAOYSA-N	216.281	1.276	50	30	BDGC	
CC(=O)OC1CCN(C(=O)Cl)CC1	39057234	VFQHAVANUPQLCQ-UHFFFAOYSA-N	205.641	1.373	50	30	BDGC	
COc1cc(OC)c2c(c1)C(=O)OC2=O	85968741	DTTDGMKWTYRLSM-UHFFFAOYSA-N	208.169	1.014	50	30	BDGC	
O=C1OC(=O)C(Cc2ccccc2)=C1Cl	100292700	LMGXQXFLDQBYIW-UHFFFAOYSA-N	222.627	1.805	50	30	BDGC	in-vitro
C[C@@H]1CC[C@@H](CI)O1	32229809	UORBAIPDXXLMMX-RITPCOANSA-N	226.057	1.989	50	30	BDGC	in-vitro
CCOC(OCC)[C@H](Br)C#N	196481350	JOWMEDMJLUEJKW-ZCFIWIBFSA-N	222.082	1.673	50	30	BDGC	
CCS(=O)(=O)CCCCCBr	70051429	QGHAMZZCPKSIGS-UHFFFAOYSA-N	243.166	1.986	50	30	BDGC	in-vitro
C[C@@H]1OC(=O)C[C@H]1I	5752237	FTDKROIGAJDVCT-IUYQGCFVSA-N	226.013	1.125	50	30	BDGC	
O=C(NN=Cc1cccnc1)c1cccs1	13115210	PIZDMFKRKVPHEJ-UHFFFAOYSA-N	231.280	1.907	50	30	BDGC	
O=C(Cl)CC(Cl)CC(=O)Cl	238496806	CXKPJLROQPSFIR-UHFFFAOYSA-N	203.452	1.905	50	30	BDGC	
CCOC(=O)NN=CCBr	254369208	SKENZCBNZGXLMI-UHFFFAOYSA-N	209.043	1.113	50	30	BDGC	
CO[C@]1(c2nnc(CCl)o2)CCOC1	306883444	KFIMMRPQXRQCLL-MRVPVSSYSA-N	218.640	1.070	50	30	BDGC	
CC1(C)C[C@@H](CCBr)C(=O)N1	1535642500	JEZQSZNTUQPAFK-ZCFIWIBFSA-N	220.110	1.686	50	30	BDGC	
CC1(C)C[C@H](CBr)NC1=O	238247235	JPKDAZPSYHEHEN-RXMQYKEDSA-N	206.083	1.296	50	30	BDGC	in-vitro
BrC[C@@H]1CC(Br)=NO1	714297094	HGVCOEAECLHNRK-VKHMYHEASA-N	242.898	1.879	50	30	BDGC	
CCCOCCOC(=O)CBr	5648001	CKPISSPGMGLMTN-UHFFFAOYSA-N	225.082	1.351	50	30	BDGC	
COC(=O)c1cc(C(=O)CCl)cn1C	261221346	VEPZVXWZFNUUTG-UHFFFAOYSA-N	215.636	1.233	50	30	BDGC	
CC1(C)COCCN1CCBr	42462843	KOMNTJCUYJTVIY-UHFFFAOYSA-N	222.126	1.492	50	30	BDGC	
NNC(=O)c1ccc(OCC(F)(F)F)cc1	714021779	XGYBRLZJGKCNSW-UHFFFAOYSA-N	234.177	1.231	50	30	BDGC	
CCOC(=O)C1(C(=O)Cl)CC=CC1	38293203	JIYSWLYJVRUHHG-UHFFFAOYSA-N	202.637	1.651	50	30	BDGC	
O=C1[C@H](Br)CCN1C1CCOCC1	72266575	DJIPXYRQUTZFGT-MRVPVSSYSA-N	248.120	1.161	50	30	BDGC	in-vitro
O=C(O[C@H]1C[C@H](Cl)C1)C(F)(F)F	299805371	KUIAJZPAYQAKRO-JPYJGEKTSA-N	202.559	1.862	50	30	BDGC	
CN(C)/C=C(\C#N)S(=O)(=O)c1cccs1	12410527	FEHDIWGNGHDRFZ-BQYQJAHWSA-N	242.325	1.448	50	30	BDGC	
NC(=O)[C@@H](Br)Cc1ccc(F)cc1	95348232	ISLSMDMOUXWHQC-QMMMGPOBSA-N	246.079	1.617	50	30	BDGC	in-vitro
CSC1=C(C#N)C(=C(C#N)C#N)NC(C)=N1	132153	NDNCGOUOYZZKDL-UHFFFAOYSA-N	229.268	1.407	50	30	BDGC	
ClCc1cnc(-c2cncnc2)nc1	306604864	FJSCJOAUNOZTMW-UHFFFAOYSA-N	206.636	1.672	50	30	BDGC	
CN1N=C(C(F)(F)F)[C@H](Br)C1=O	106387000	SCJJHLMKNIKQGJ-REOHCLBHSA-N	244.998	1.140	50	30	BDGC	
COc1ccc(C(=O)CBr)cc1O	82309225	CPXKTRDFYCGOSI-UHFFFAOYSA-N	245.072	1.978	50	30	BDGC	
C[C@H]1CC[C@H](CI)O1	32229814	UORBAIPDXXLMMX-NTSWFWBYSA-N	226.057	1.989	50	30	BDGC	in-vitro
OCCCCSSCCCCO	5113310	RUCLWVAQWOEEPY-UHFFFAOYSA-N	210.364	1.913	50	30	BDGC	
C[C@H](Br)C(=O)CBr	138673747	XVMIKRZPDSXBTP-VKHMYHEASA-N	229.899	1.734	50	30	BDGC	
Cc1nc(C(=O)CBr)c(C)o1	34223262	QTGWJHMRJZSAND-UHFFFAOYSA-N	218.050	1.869	50	30	BDGC	
CCOC(=O)NNC(=S)NC[C@@H](C)CC	3139074	YDNBCHBWKLPGLI-ZETCQYMHSA-N	233.337	1.158	50	30	BDGC	
NNC(=O)Cc1csc(-c2ccccc2)n1	109900	XTTLTYNLLQFOKX-UHFFFAOYSA-N	233.296	1.343	50	30	BDGC	
O=C1[C@@H](Br)CCN1C1CCOCC1	72266576	DJIPXYRQUTZFGT-QMMMGPOBSA-N	248.120	1.161	50	30	BDGC	in-vitro
CCCCn1[nH]ccc1=NC(=O)CCl	308289288	DOSUKCDXSWOIFJ-UHFFFAOYSA-N	215.684	1.282	50	30	BDGC	
C=C[C@]1(O[Si](C)(C)C)C[C@H]1C(=O)OC	196462679	MKSSKEQKYSLVRO-WPRPVWTQSA-N	214.337	1.956	50	30	BDGC	
CN(C)/C=N/NC(=O)c1ccccc1Cl	4393108	QPIMCLZPHSXYIH-KPKJPENVSA-N	225.679	1.575	50	30	BDGC	
Cc1cc(C(=O)N/N=C/C(C)(C)C)nn1C	115499	BWGDIWOARFKQSU-KPKJPENVSA-N	222.292	1.490	50	30	BDGC	
C/N=C1/CCCCCN1C(=O)CCl	39055299	CCYWRMMBRQQMHG-FLIBITNWSA-N	202.685	1.656	50	30	BDGC	
C[C@H]1CO[C@H](C)CO[C@H](C)CO[Si](C)(C)O1	255973990	GHXLVBXHSVWTGW-MXWKQRLJSA-N	248.395	1.934	50	30	BDGC	
CC(C)(C=O)CI	196738805	CZJALZISQITNLS-UHFFFAOYSA-N	212.030	1.647	50	30	BDGC	
COC=NNC(=O)c1cccc([N+](=O)[O-])c1C	2265278897	SPDFPDYOTIJSRW-UHFFFAOYSA-N	237.215	1.223	50	30	BDGC	
Cc1ccccc1C=NNC(=O)c1csnn1	254708367	DCHJBOSLQRMIFB-UHFFFAOYSA-N	246.295	1.610	50	30	BDGC	
O=C(O)c1coc(CBr)n1	114498025	PLJLLCUKFGXPBW-UHFFFAOYSA-N	205.995	1.268	50	30	BDGC	
COC(=O)CC[C@H](C)CBr	209375758	BSPOOZOFDFOBNM-LURJTMIESA-N	209.083	1.971	50	30	BDGC	
O=C(NNc1ccccc1F)c1ccno1	151485	WLARYWMNUKSZGW-UHFFFAOYSA-N	221.191	1.571	50	30	BDGC	
N#CCC(=O)NN=Cc1ccc(Cl)cc1	15986900	UQLGQJKFIOJSPN-UHFFFAOYSA-N	221.647	1.704	50	30	BDGC	
C[C@@H](Br)C(=O)C1CCOCC1	238857108	YEFHYSLHOYYJJL-ZCFIWIBFSA-N	221.094	1.766	50	30	BDGC	
CC(C)(C)NNC(=O)c1ccccc1N	150450	PVWPSIBAKCJPRU-UHFFFAOYSA-N	207.277	1.302	50	30	BDGC	
Cc1ccc(OS(=O)(=O)CCl)cc1	196738159	RWYVSAPVFRJOMS-UHFFFAOYSA-N	220.677	1.900	50	30	BDGC	
Cc1cc(C=C(C#N)C#N)cc(O)c1O	13833857	NBBJLHJHLMMMKM-UHFFFAOYSA-N	200.197	1.837	50	30	BDGC	
CC(=NNC(N)=O)c1ccc(Cl)cc1	252370076	NRVQPAZCFBJKNE-UHFFFAOYSA-N	211.652	1.732	50	30	BDGC	
C[C@@H]1N(CCBr)CCOC1(C)C	575449863	RYSQZFLEMBJKAF-QMMMGPOBSA-N	236.153	1.881	50	30	BDGC	
Cc1ccc(/C=N/C(C#N)=C(\N)C#N)cc1	100545	QLCCQDKZHSLZEU-JCQHQYFWSA-N	210.240	1.631	50	30	BDGC	
CC(C)[C@@H](C(=O)Cl)N1CCCNC1=O	22066859	CVUOJBKULXTCRU-ZETCQYMHSA-N	218.684	1.192	50	30	BDGC	in-vitro
O=C[C@@H](Br)C=Nc1nccs1	242390135	AAAXJPLFDZTYTN-YFKPBYRVSA-N	233.090	1.808	50	30	BDGC	
O=C(CBr)C(=O)c1ccccc1	39247719	XNHDJBJSICAZMR-UHFFFAOYSA-N	227.057	1.833	50	30	BDGC	
CC(C)(O)CI	32211351	UOQIHMBZKSCLPI-UHFFFAOYSA-N	200.019	1.192	50	30	BDGC	in-vitro
O=CC1=Cc2ccccc2C=C(C=O)O1	198676723	PTPDUABARRJDGA-UHFFFAOYSA-N	200.193	1.796	50	30	BDGC	
BrC[C@H]1CN2CCC1CC2	39471190	KWPUVZRMKACGBI-QMMMGPOBSA-N	204.111	1.723	50	30	BDGC	
O=C(O)c1csc(CBr)n1	83351665	MXODEMJYUNKRGY-UHFFFAOYSA-N	222.063	1.736	50	30	BDGC	in-vitro
C[C@H]1CN(CCBr)CCO1	40989784	HRHALMFAQLQTBP-ZETCQYMHSA-N	208.099	1.102	50	30	BDGC	
COc1ncccc1C(=O)CBr	87224490	MWDWBJDTASAJQX-UHFFFAOYSA-N	230.061	1.668	50	30	BDGC	
Cc1[nH]c2ccccc2c1SCC(=O)NN	169646	ADXILTPRNKFHFF-UHFFFAOYSA-N	235.312	1.558	50	30	BDGC	
O=[N+]([O-])c1cc(CCl)c(O)c([N+](=O)[O-])c1	86862210	QVXSVWNNXWNZSV-UHFFFAOYSA-N	232.579	1.947	50	30	BDGC	
CCOC(=O)/C(C#N)=C(\C=C\N(C)C)OC	2265362275	MLZLJZGDIYUKBQ-AVQMFFATSA-N	224.260	1.049	50	30	BDGC	
COc1ccc2cc([C@@H](C)C(=O)NN)ccc2c1	103457	AIALPRRFGQBFKL-SECBINFHSA-N	244.294	1.942	50	30	BDGC	
CS(=O)(=O)CCCCBr	38063442	UZDQBYJJIOXWMS-UHFFFAOYSA-N	215.112	1.206	50	30	BDGC	
C=C1C[C@H](CI)OC1=O	2265385510	DATMEPVMKCXILS-RXMQYKEDSA-N	238.024	1.293	50	30	BDGC	
C[N+](C)(Cc1ccccc1)C[C@H](O)CCl	6068229	RAMIXFMCLRZLAK-GFCCVEGCSA-N	228.743	1.863	50	30	BDGC	
COCCOCCOCCOC(=O)Cl	34623831	LSJKXCRCOZGBPX-UHFFFAOYSA-N	226.656	1.041	50	30	BDGC	
O=C(Cl)[C@@H](c1ccccc1)S(=O)(=O)O	39401680	PIMQVFSTMNWDMJ-SSDOTTSWSA-N	234.660	1.381	50	30	BDGC	
O=C1COc2ccccc2N1CCCl	36883082	UYOIDAXSXPJMME-UHFFFAOYSA-N	211.648	1.651	50	30	BDGC	
BrCc1nnc2ccccn12	238003591	XGFDEXASIRLFNW-UHFFFAOYSA-N	212.050	1.624	50	30	BDGC	
CC(C)(C)OC(=O)N1CCC(CN=C=O)CC1	1535944814	PKCVQZTVLRIUMP-UHFFFAOYSA-N	240.303	1.969	50	30	BDGC	
CC1(C)CC(=O)C(C(=O)CCl)C(=O)C1	100043303	VJGNFWMQYJVRLY-UHFFFAOYSA-N	216.664	1.369	50	30	BDGC	
CCOC(=O)/C(C#N)=C/Nc1cc(C)no1	131909	MCGWZGRJGQUYQF-SOFGYWHQSA-N	221.216	1.366	50	30	BDGC	
CCOC(=O)/C(C#N)=C/N(CC)C[C@H](O)CC	4300131	ZUMVXCNZNOVPJZ-RJCSOLBVSA-N	240.303	1.050	50	30	BDGC	
C[C@@]1(c2ccc(F)cc2)CC(=O)OC1=O	59093908	FIGPBBMFLYOGKB-NSHDSACASA-N	208.188	1.557	50	30	BDGC	in-vitro
C[C@H]1[C@@H](C)[C@H](N=C=O)[C@H](C)[C@@H](C)[C@@H]1N=C=O	256090733	QKNMFOYJBHCEGR-MOCCIAMBSA-N	222.288	1.953	50	30	BDGC	
O=C1C[C@@H]2[C@@H](Br)C[C@H]1[C@H]2C(=O)O	138017832	BXXPKNCQABBGDK-CXXDYQFHSA-N	233.061	1.060	50	30	BDGC	
Cc1csc(C(=O)NN)c1-n1cccc1	81995	MTEXMKCSKDKNPC-UHFFFAOYSA-N	221.285	1.451	50	30	BDGC	
Cl[C@@H]1Nc2cccnc2-n2cncc21	95935963	JYLJGMFDKNFMNM-MRVPVSSYSA-N	206.636	1.930	50	30	BDGC	
COC(=O)[C@@H](Br)C1(OC)CCC1	238855175	QRPFVNKRLHTTHC-ZCFIWIBFSA-N	237.093	1.492	50	30	BDGC	
CCOC(=O)[C@@H]1CC[C@@H]1Br	60015004	NVYFOAIDPCMXGS-RITPCOANSA-N	207.067	1.723	50	30	BDGC	
C=C[C@@]1(O[Si](C)(C)C)C[C@@H]1C(=O)OC	196462670	MKSSKEQKYSLVRO-PSASIEDQSA-N	214.337	1.956	50	30	BDGC	
O=C(Cl)[C@@]1(Cl)OC1(Cl)Cl	39057452	SVEMFAFKCFKJKQ-UWTATZPHSA-N	209.843	1.849	50	30	BDGC	
Cc1cc(C(=O)N/N=C/C(C)(C)C)no1	118868	LKHJDNLBZANGSV-IZZDOVSWSA-N	209.249	1.745	50	30	BDGC	
N#CC(N)=C(C#N)N=Cc1cc(Cl)ccc1O	2265272059	ONVDVFWQUJLQNL-UHFFFAOYSA-N	246.657	1.682	50	30	BDGC	
CCOC(=O)c1ccccc1[C@@H](O)C#N	95847870	NNVDPAPNLPPCAS-JTQLQIEISA-N	205.213	1.420	50	30	BDGC	
O=C(C(Cl)Cl)N1CCSCC1	140244	RCQNOXUXDOGOHV-UHFFFAOYSA-N	214.117	1.366	50	30	BDGC	
Cn1cc(CBr)c([N+](=O)[O-])n1	68592267	FMHJHLKSJPGGKL-UHFFFAOYSA-N	220.026	1.223	50	30	BDGC	
CCN1C(=O)CC[C@@H]1CBr	39297209	RUTNFAWKJRDISV-ZCFIWIBFSA-N	206.083	1.392	50	30	BDGC	
Cc1ccncc1C(=O)CBr	39055606	YWTJLRUGIICPMN-UHFFFAOYSA-N	214.062	1.968	50	30	BDGC	
CCO[Si](CCOC#N)(OCC)OCC	195768119	JSJXUOKWTYOFMM-UHFFFAOYSA-N	233.340	1.532	50	30	BDGC	
O=S(=O)(CCl)NCc1ccccc1	33604872	PRTWZRAABOYCEZ-UHFFFAOYSA-N	219.693	1.302	50	30	BDGC	
CC(=O)N[C@H](Cl)C(=O)c1ccccc1	39055589	KEBPJACCSMNODE-JTQLQIEISA-N	211.648	1.570	50	30	BDGC	
CCOC(=O)N1CCC(C(=O)Cl)CC1	22008723	QRMMXPXRMDHPPF-UHFFFAOYSA-N	219.668	1.620	50	30	BDGC	
COC(=O)C1CCN(C(=O)Cl)CC1	39057298	YDXGQWSBJUOSIC-UHFFFAOYSA-N	205.641	1.230	50	30	BDGC	
Cc1nccn1CCCBr	36723784	DIYKEXPIUJSDKK-UHFFFAOYSA-N	203.083	1.977	50	30	BDGC	in-vitro
CC1(C)C[C@@H](CBr)NC1=O	238237218	JPKDAZPSYHEHEN-YFKPBYRVSA-N	206.083	1.296	50	30	BDGC	in-vitro
O=C(CBr)c1cnc2c(c1)OCO2	95763429	GWHBJOITQQLVAF-UHFFFAOYSA-N	244.044	1.388	50	30	BDGC	
CCOC(=O)C1=C(C)NC(C)=CC1=C(C#N)C#N	86651	GULZKJKRLUUWKZ-UHFFFAOYSA-N	243.266	1.674	50	30	BDGC	
ClCc1nnc([C@H]2CCCOC2)o1	62193539	CQJJORWMPDNWBH-LURJTMIESA-N	202.641	1.702	50	30	BDGC	
O=C1CC[C@@H](CBr)CCN1	238852678	HANGYXDLVWARHQ-ZCFIWIBFSA-N	206.083	1.298	50	30	BDGC	
O=C(NNCc1ccccc1)c1ccncc1	6580060	QFSUCTHCSKPAGJ-UHFFFAOYSA-N	227.267	1.516	50	30	BDGC	
OC1(C(F)(F)F)CC(Br)C1	306274137	PHMOVHNUIWCSQS-UHFFFAOYSA-N	219.000	1.837	50	30	BDGC	
CNP(=O)(NC)N(CCCl)CCCl	95704247	BLIYLDFWKLERFT-UHFFFAOYSA-N	248.094	1.313	50	30	BDGC	
C1C[C@H](SS[C@H]2CCNC2)CN1	2265385585	NMOFPJYNILIJAJ-YUMQZZPRSA-N	204.364	1.092	50	30	BDGC	
C[C@H]1CCC[C@@H](NNC(=O)c2ccncc2)C1	2018622	MVFSFRSWCGDGFZ-CMPLNLGQSA-N	233.315	1.895	50	30	BDGC	
CC(=O)O[C@H]1CCCN(C(=O)Cl)C1	958678644	BKJVHQAQRJBJQZ-ZETCQYMHSA-N	205.641	1.373	50	30	BDGC	
N#CC(C#N)=CNNc1ncnc2ccsc12	117224	GEGWTCIDTWHBOK-UHFFFAOYSA-N	242.267	1.539	50	30	BDGC	
BrC[C@H]1CC2(CCOCC2)CO1	536957557	HRBUSNKZOLNKRE-MRVPVSSYSA-N	235.121	1.967	50	30	BDGC	
CCOC(=O)[C@@H](Cl)C(=O)CC(C)C	100442183	YCIZIUUFBFSOBV-QMMMGPOBSA-N	206.669	1.772	50	30	BDGC	in-vitro
COC(=O)NNc1ncccc1C(F)(F)F	78062	DHCIZIXALIWUNU-UHFFFAOYSA-N	235.165	1.783	50	30	BDGC	
COC(C)(C)CI	95884095	BRNXSSDLTFUQGI-UHFFFAOYSA-N	214.046	1.846	50	30	BDGC	
FC1(F)C[C@H]1OCCBr	407985756	KOGZKWGYNINJSI-SCSAIBSYSA-N	201.010	1.806	50	30	BDGC	
COCCO[Si](C)(C)OCCOC	195762656	OVZRXWSZIKLJRC-UHFFFAOYSA-N	208.330	1.014	50	30	BDGC	
COC(=O)CCCCC(=O)CBr	146176443	KMCQRXUXYRUGKQ-UHFFFAOYSA-N	237.093	1.684	50	30	BDGC	
CO[C@@H](C)CCOC(=O)[C@@H](C)Br	1711221	HGPKPMHJDZJVIY-NKWVEPMBSA-N	239.109	1.738	50	30	BDGC	
NNC(=O)Cn1c2ccccc2c2ccccc21	4336315	KPGXVQYVDFRREV-UHFFFAOYSA-N	239.278	1.784	50	30	BDGC	
COC(=O)C[C@]1(CBr)CCOC1	2265385537	HTRQYHJLQRREEH-QMMMGPOBSA-N	237.093	1.351	50	30	BDGC	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1ccccc1	101995236	QVUSNGSHWVVBAH-GHMZBOCLSA-N	231.251	1.103	50	30	BDGC	
O=C1C[C@@H](c2c(F)cccc2F)C(=O)O1	107098413	MFAVCJHHHAQSEO-YFKPBYRVSA-N	212.151	1.522	50	30	BDGC	
CCOC(=O)[C@@H](Br)[C@@H]1CC1(F)F	95774551	AGTQZPPQNHMMIN-WHFBIAKZSA-N	243.047	1.968	50	30	BDGC	
N#CC(=C=N)/C=C1/C=C(C=C(C#N)C#N)COC1	140118241	GOXHPWXMDVEKRI-SGAXSIHGSA-N	236.234	1.541	50	30	BDGC	
CCOC(=O)[C@H](Br)[C@H]1CC1(F)F	95774552	AGTQZPPQNHMMIN-RFZPGFLSSA-N	243.047	1.968	50	30	BDGC	
O=C=Nc1cc(F)c(F)cc1[N+](=O)[O-]	50016554	UZWGWEILROMHKR-UHFFFAOYSA-N	200.100	1.840	50	30	BDGC	
COCC(CCBr)COC	306795423	GMRNYVASQLUEKX-UHFFFAOYSA-N	211.099	1.680	50	30	BDGC	
C=C[Si](OC(C)=O)(OC(C)=O)OC(C)(C)C	195751374	MKIGOIXSOYVYHF-UHFFFAOYSA-N	246.335	1.592	50	30	BDGC	
Nc1ccc(C(=O)CCl)cc1[N+](=O)[O-]	39055622	KULHXAXMLMGQSJ-UHFFFAOYSA-N	214.608	1.599	50	30	BDGC	
COc1c(CBr)occc1=O	196258555	IDVYNXUKMTULLG-UHFFFAOYSA-N	219.034	1.543	50	30	BDGC	
COC(=O)C1(CBr)CCC(=O)CC1	1536221888	QSJXKLLJQFFZNN-UHFFFAOYSA-N	249.104	1.684	50	30	BDGC	
O=[N+]([O-])c1ccn(CCBr)n1	40517173	PHKHRTPFEHTJFQ-UHFFFAOYSA-N	220.026	1.186	50	30	BDGC	in-vitro
COCc1ccc(C(=O)C(=O)Cl)o1	39055303	ICVYUCBMDDBEMW-UHFFFAOYSA-N	202.593	1.374	50	30	BDGC	
C=CCOC(=O)CI	34566589	QZORKJQSVCOBNB-UHFFFAOYSA-N	226.013	1.151	50	30	BDGC	
COC(CBr)CBr	85952100	ONMMELSFTOXNQA-UHFFFAOYSA-N	231.915	1.791	50	30	BDGC	
O=C(CBr)c1ccncc1F	84192545	CEHIFHQKUBKPGA-UHFFFAOYSA-N	218.025	1.798	50	30	BDGC	
C[C@]1(CI)COCCO1	725262605	CAGHUPMRAVHHIE-LURJTMIESA-N	242.056	1.227	50	30	BDGC	
O=C(Cl)[C@]1(Cl)OC1(Cl)Cl	39057453	SVEMFAFKCFKJKQ-REOHCLBHSA-N	209.843	1.849	50	30	BDGC	
O=C1C[C@]2(CCc3ccccc32)C(=O)O1	101417111	JXJAHNQEJPFBPV-LBPRGKRZSA-N	202.209	1.344	50	30	BDGC	
Cl[C@H]1NC=NC2=C1CN(Cc1ccccc1)C2	71186754	KEDYLWKRFPPQIF-ZDUSSCGKSA-N	247.729	1.953	50	30	BDGC	
COC(=O)[C@H]1CSC(C(Cl)Cl)=N1	100104905	FYXOIXUWMFLUTC-GSVOUGTGSA-N	228.100	1.477	50	30	BDGC	in-vitro
N#CC1(OCCBr)CCOCC1	306531851	LAAWURJYGQAUTA-UHFFFAOYSA-N	234.093	1.471	50	30	BDGC	
Cn1nc(C#N)cc1CBr	2265356077	KSJYTWJATWKNFH-UHFFFAOYSA-N	200.039	1.187	50	30	BDGC	
IC[C@@H]1CC2(CC2)CO1	536956803	BXKPLCBMQBFODT-LURJTMIESA-N	238.068	1.991	50	30	BDGC	
C[C@H]1SCCN1P(=O)(N1CC1)N1CC1	42833769	FJYYWRQKUXJNMW-MRVPVSSYSA-N	233.277	1.121	50	30	BDGC	
O=C1C[C@H](c2c(F)cccc2F)C(=O)O1	107098416	MFAVCJHHHAQSEO-RXMQYKEDSA-N	212.151	1.522	50	30	BDGC	
COC[C@@H](C)I	84844718	ZPHCRNNVHZDKDU-SCSAIBSYSA-N	200.019	1.456	50	30	BDGC	in-vitro
CC(C)CC(=O)NNC(=O)OC(C)(C)C	39093937	ADDGFHDMVGZHAR-UHFFFAOYSA-N	216.281	1.588	50	30	BDGC	
N#C[C@@]1(OCCBr)CCOC1	958717115	YNIYTUSJCYKQTL-ZETCQYMHSA-N	220.066	1.081	50	30	BDGC	
COC(=O)[C@H]1CCCN(C(=O)Cl)C1	725623294	WFKGHZVYWBDYLP-LURJTMIESA-N	205.641	1.230	50	30	BDGC	
CC(C)(C)OC(=O)N1CCC[C@H](CN=C=O)C1	1535952454	IKMSSFXSLLWZHV-SNVBAGLBSA-N	240.303	1.969	50	30	BDGC	
C=CC(=O)O[Si](CCC)(OC)OC	200582340	CMQBKVKRQHUNTN-UHFFFAOYSA-N	204.298	1.357	50	30	BDGC	
CC(C)(C)OC(=O)N1CCC[C@H](N=C=O)C1	90645972	KOXWXSXYBKIVDA-VIFPVBQESA-N	226.276	1.722	50	30	BDGC	
COC(COCCBr)OC	238339166	XUZJVFLJJMGQJJ-UHFFFAOYSA-N	213.071	1.017	50	30	BDGC	
CC1CCC(NNC(=O)c2ccncc2)CC1	2018787	OGJWIBYNSGOORI-UHFFFAOYSA-N	233.315	1.895	50	30	BDGC	
CC(=O)O[C@H](CBr)CC(=O)Cl	2567779	PVBDITHCXIJZPQ-YFKPBYRVSA-N	243.484	1.469	50	30	BDGC	
CO[C@H](CBr)[C@@H]1CCOC1	390822060	YUIMNEHZPGSOKA-RNFRBKRXSA-N	209.083	1.433	50	30	BDGC	
CN(C)C=NC(=O)C(C#N)=Cc1cccs1	2265221999	HPWPXKOPVSMBFC-UHFFFAOYSA-N	233.296	1.772	50	30	BDGC	
N#CCC(=O)NNC(=O)c1ccccc1Cl	3103893	AFEJSLGCGFNJOC-UHFFFAOYSA-N	237.646	1.015	50	30	BDGC	
CCCCO[P@](=O)(O)OOCCCCN	604934819	KHQKBZNKDLPTBB-UHFFFAOYSA-N	241.224	1.591	50	30	BDGC	
CCOC(=O)COc1ccccc1[C@@H](O)C#N	95742936	KECNKCUOWJNUPH-JTQLQIEISA-N	235.239	1.185	50	30	BDGC	
CCOC(=O)c1cnc(C)nc1CCl	26510196	AKNDVWRDFRWUNO-UHFFFAOYSA-N	214.652	1.701	50	30	BDGC	
CC1=C(C(=O)Cl)CC(=O)OC1(C)C	39057223	CAQCIHWKIDZBKL-UHFFFAOYSA-N	202.637	1.794	50	30	BDGC	
CNS(=O)(=O)c1ccc(CCl)cc1	60190348	SCOKBLHXFKRSFA-UHFFFAOYSA-N	219.693	1.334	50	30	BDGC	
O=C1Nc2ccccc2O[C@H]1Br	60013709	ZQJFOGYRODBABR-SSDOTTSWSA-N	228.045	1.739	50	30	BDGC	
CCOC(=O)c1c(CCl)noc1C	38974261	PPFRRWXGHMKDLQ-UHFFFAOYSA-N	203.625	1.899	50	30	BDGC	in-vitro
COC(=O)CCCC[C@@H](O)CCCl	22007587	MJGRFAJZJNWXBR-MRVPVSSYSA-N	208.685	1.710	50	30	BDGC	
O=C(Cl)c1ccc(O)c([N+](=O)[O-])c1	33608591	OIBCDLJVMQNOTQ-UHFFFAOYSA-N	201.565	1.679	50	30	BDGC	
O=C(CCl)[C@@H]1CC[C@@H]2CC[C@@H](O)C[C@@H]21	238714483	UGZFMOUIJAVIJS-JLIMGVALSA-N	216.708	1.982	50	30	BDGC	
N#CCC(=O)OCCCBr	39119451	PBAZUMVEVOWUDY-UHFFFAOYSA-N	206.039	1.228	50	30	BDGC	
CCOC1=N[C@H](CBr)CC1	39099447	IXJCHEIEIFZPLG-LURJTMIESA-N	206.083	1.979	50	30	BDGC	
Cc1cc2c(cc1B(O)O)C(C)(C)C=CC2(C)C	196011431	HIVIWKOJHLNQSQ-UHFFFAOYSA-N	244.143	1.800	50	30	BDGC	
Cc1nc(C)c(C(=O)CBr)o1	38548887	QZVFTSMGCRLQDQ-UHFFFAOYSA-N	218.050	1.869	50	30	BDGC	in-vitro
CN1CCC(CN(C)C(=O)Cl)CC1	82379983	SEWCJSGUYKOWPT-UHFFFAOYSA-N	204.701	1.619	50	30	BDGC	
COC(=O)[C@@H]1CCCN(C(=O)Cl)C1	885925110	WFKGHZVYWBDYLP-ZCFIWIBFSA-N	205.641	1.230	50	30	BDGC	
CC1=C2CCC[C@H]2CC/C1=N\NC(N)=O	80007	ACGPKNMJUFBWGA-AAGIXAJBSA-N	207.277	1.921	50	30	BDGC	
O=C1[C@@H](Br)CCN1C1CCC1	82607286	QOHXJUILJIYNTK-ZETCQYMHSA-N	218.094	1.535	50	30	BDGC	
Cc1cc(N(C)C)n2nc(CCl)nc2n1	49452732	PRWCLRVIYPVICK-UHFFFAOYSA-N	225.683	1.238	50	30	BDGC	
CCn1nc(CCl)c2c1CCOC2	2265384954	JXQDUOORNKMFKK-UHFFFAOYSA-N	200.669	1.715	50	30	BDGC	
O=C1CC(Cc2ccccc2)CC(=O)O1	147124788	GMZLJCJCIBNHIF-UHFFFAOYSA-N	204.225	1.709	50	30	BDGC	
Cl[C@H]1Nc2cccnc2-n2cncc21	95935964	JYLJGMFDKNFMNM-QMMMGPOBSA-N	206.636	1.930	50	30	BDGC	
C1C[C@H](SS[C@@H]2CCNC2)CN1	2265385584	NMOFPJYNILIJAJ-OCAPTIKFSA-N	204.364	1.092	50	30	BDGC	
CC(C)=NNC(=O)NCc1ccccc1	129337	RIBQMWQHRBZVMP-UHFFFAOYSA-N	205.261	1.882	50	30	BDGC	
CCCOC(=O)[C@@H](Cl)C(=O)CCl	103832043	PWBGADFQZYEPHY-LURJTMIESA-N	213.060	1.355	50	30	BDGC	
C[C@@H](Br)C(=O)[C@H]1CCCOC1	725673458	VMDXSAVAQCTULN-RQJHMYQMSA-N	221.094	1.766	50	30	BDGC	
O=C(CBr)C12COC(CF)(C1)C2	2265361423	VYSFJYBRMSTKBN-UHFFFAOYSA-N	237.068	1.469	50	30	BDGC	
Cc1cc(C)c2ncc(C(=O)Cl)n2n1	39057411	GWWXWLSOWBSVOD-UHFFFAOYSA-N	209.636	1.725	50	30	BDGC	
CC(C)(C)S(=O)(=O)CCCBr	35319985	WSGZEZOFXLQKKQ-UHFFFAOYSA-N	243.166	1.985	50	30	BDGC	
COC(=O)/C(C#N)=C/c1cccc(OC)c1	104720	HAKQTDWWXNOUOD-UXBLZVDNSA-N	217.224	1.775	50	30	BDGC	
O=C(CCl)Nc1ccc(O)c(O)c1	39096311	PIOHVOSEHNVCCO-UHFFFAOYSA-N	201.609	1.275	50	30	BDGC	
COC(=O)[C@H](N)CCO[Si](C)(C)C(C)(C)C	197235204	IMBMUUZNQXKOBS-SECBINFHSA-N	247.411	1.899	50	30	BDGC	
C=CCN1CC[C@H](Br)C1=O	39185911	OJTLKVGFQJAAOW-LURJTMIESA-N	204.067	1.168	50	30	BDGC	
C=C[C@]1(O[Si](C)(C)C)C[C@@H]1C(=O)OC	196462688	MKSSKEQKYSLVRO-SCZZXKLOSA-N	214.337	1.956	50	30	BDGC	
O=C(OC(=O)c1ccco1)c1ccco1	85766974	KCENQZYGMHVBJH-UHFFFAOYSA-N	206.153	1.870	50	30	BDGC	
CCn1/c(=N\NC=O)sc2ccccc21	100262573	LZWLJVHHLKDNCK-ZRDIBKRKSA-N	221.285	1.284	50	30	BDGC	
NNC(=O)Nc1ccc(OC(F)F)cc1	36948273	BQYFMQUDGGMVPE-UHFFFAOYSA-N	217.175	1.283	50	30	BDGC	in-vitro
C=C(C)[C@@H]1CC=C(C)/C(=N\NC(N)=O)C1	32206430	ROYUYJQRQPJMFE-BLKPKJALSA-N	207.277	1.943	50	30	BDGC	
COC(=O)c1ccnc(SCCl)n1	642883038	PQBCXSHDIBVTFZ-UHFFFAOYSA-N	218.665	1.552	50	30	BDGC	
CCO[Si](OCC)(OCC)[C@@H](C)CN	195765577	RYRGXTAWWFMZRN-VIFPVBQESA-N	221.373	1.384	50	30	BDGC	
C1CCOON(N2CCCCCOO2)CC1	59541379	ZUHQZAPWDBSZPC-UHFFFAOYSA-N	232.280	1.600	50	30	BDGC	
C[C@H](NNC(=O)OC(C)(C)C)C1CC1	95347887	ZZJVGYWAJFXOLY-ZETCQYMHSA-N	200.282	1.814	50	30	BDGC	in-vitro
Cc1cc(-c2nc(C)c(C(=O)NN)s2)no1	123819	RLXHPJXRLUNGIH-UHFFFAOYSA-N	238.272	1.018	50	30	BDGC	
CCO[C@@]1(C)OO[C@H]2C[C@@H]1CC(=O)[C@H]2C	100256146	PLCORMIUVBVMLA-IFFSRLJSSA-N	214.261	1.685	50	30	BDGC	
Cc1ccc(C=NNC(=O)c2csnn2)cc1	12954377	XMHHSQNYJUQVNF-UHFFFAOYSA-N	246.295	1.610	50	30	BDGC	
CCOC(=O)CC[C@@H](N=C=S)C(=O)OCC	4254914	BEIMBFWLTYKYLU-MRVPVSSYSA-N	245.300	1.364	50	30	BDGC	
OB(O)c1ccc(SCCCCF)cc1	198065331	IVVHXSWZYXQHDY-UHFFFAOYSA-N	228.097	1.208	50	30	BDGC	
C[C@@H](/C=N/NC=O)OCc1ccccc1	38235555	KSVAVOFBEXSSNM-QVIVLVACSA-N	206.245	1.324	50	30	BDGC	in-vitro
CC(C)(C)N1CCN(C(=O)Cl)CC1	86894045	HBGAGDFFZGAVGI-UHFFFAOYSA-N	204.701	1.761	50	30	BDGC	
COC(=O)N(CCBr)N=O	33640888	BIMUCHJYADMVTQ-UHFFFAOYSA-N	211.015	1.131	50	30	BDGC	
COC(=O)[C@@H](Br)CC(C)C	35993995	SRPGFJDOALJGMR-LURJTMIESA-N	209.083	1.969	50	30	BDGC	
NNC(=O)CSc1ccccc1Cl	36962677	LNTUXRXDNJTMBM-UHFFFAOYSA-N	216.693	1.422	50	30	BDGC	in-vitro
O=C[C@H](Br)C=Nc1nccs1	242390134	AAAXJPLFDZTYTN-RXMQYKEDSA-N	233.090	1.808	50	30	BDGC	
C[C@H](Br)OC(=O)Cc1cccnc1	238523751	DIXZDIKLTLRNRN-SSDOTTSWSA-N	244.088	1.908	50	30	BDGC	
CCOC(OCC)[C@@H](Br)C#N	196481362	JOWMEDMJLUEJKW-LURJTMIESA-N	222.082	1.673	50	30	BDGC	
C=CCN1CC[C@@H](Br)C1=O	39185912	OJTLKVGFQJAAOW-ZCFIWIBFSA-N	204.067	1.168	50	30	BDGC	
C#CCO[C@H]1OCC[C@@H]1Br	95931254	AWULWFRVGOGUEH-BQBZGAKWSA-N	205.051	1.146	50	30	BDGC	
CC(C)(C)OC(=O)N1CC[C@H](N=C=O)C1	114914575	OCXPTMDEHRWZTF-QMMMGPOBSA-N	212.249	1.332	50	30	BDGC	
COC(=O)N1CCC(C(=O)Cl)CC1	34563094	SQCJDDDXBVKHHJ-UHFFFAOYSA-N	205.641	1.230	50	30	BDGC	
N#C[C@H](OCCBr)C1CC1	1535542754	XELKRLAGXCRRKW-ZETCQYMHSA-N	204.067	1.700	50	30	BDGC	
Cc1ccccc1S(=O)(=O)OCCCl	6071940	HMIYUOHGRSXXEB-UHFFFAOYSA-N	234.704	1.939	50	30	BDGC	
CN(NC=C(C#N)C#N)c1cccc(F)c1C#N	167140	CXFAVKKAHQFBTP-UHFFFAOYSA-N	241.229	1.569	50	30	BDGC	
ClCOCC(COCCl)OCCl	1849657	SWXSJBPKOPJPJL-UHFFFAOYSA-N	237.510	1.994	50	30	BDGC	in-vitro
C[C@@H]1CN(CCBr)CCO1	40989781	HRHALMFAQLQTBP-SSDOTTSWSA-N	208.099	1.102	50	30	BDGC	
N#CCC(=O)NN=CCc1ccccc1	254739270	XQIQHVZXNPYRRV-UHFFFAOYSA-N	201.229	1.245	50	30	BDGC	
Cc1cc(C)c2c(C)c(C(=O)NN)sc2n1	163357	LOIIXFRRKRXDOW-UHFFFAOYSA-N	235.312	1.825	50	30	BDGC	
C[C@@H]1COCCN1CCBr	40990940	WFYJKCWUHCQVDS-SSDOTTSWSA-N	208.099	1.102	50	30	BDGC	
CC(COc1ccccc1)=NNC(N)=O	308684955	YNSLZVZCPHAYRG-UHFFFAOYSA-N	207.233	1.110	50	30	BDGC	
CSC(NC(=N)C(F)(F)F)=C(C#N)C#N	3127460	MWGMZGYVIRJHBH-UHFFFAOYSA-N	234.206	1.737	50	30	BDGC	
S=C(NS)SSC(=S)NS	143827649	DGKFEAICYSXOEX-UHFFFAOYSA-N	248.470	1.806	50	30	BDGC	
C[C@]1(C(=O)Cl)COc2ccccc2O1	39057528	LOWDXWQZUWBHMK-SNVBAGLBSA-N	212.632	1.982	50	30	BDGC	in-vitro
CC(C)(C)OC(=O)NC1CN(C(=O)Cl)C1	196784366	KIJDWXNPHUPPCG-UHFFFAOYSA-N	234.683	1.554	50	30	BDGC	
CO[C@H](C)CCOC(=O)[C@H](C)Br	1711224	HGPKPMHJDZJVIY-RQJHMYQMSA-N	239.109	1.738	50	30	BDGC	
NNC(=O)c1ccc(NC(=O)c2ccco2)cc1	16849815	CGONDRUEYDYPFI-UHFFFAOYSA-N	245.238	1.135	50	30	BDGC	
COC(=O)c1cnc2nc(CCl)oc2c1	2265385561	KWMRLVOAXWGJCX-UHFFFAOYSA-N	226.619	1.748	50	30	BDGC	
CC(=O)NNc1ccc(C(F)(F)F)cn1	77906	RJHATSMIAPWOLX-UHFFFAOYSA-N	219.166	1.563	50	30	BDGC	
CC(C)S(=O)(=O)CCBr	229219163	PVHVRJPDTGODAW-UHFFFAOYSA-N	215.112	1.205	50	30	BDGC	
COC(=O)CC[C@@H](C)CBr	138500214	BSPOOZOFDFOBNM-ZCFIWIBFSA-N	209.083	1.971	50	30	BDGC	
CS(=O)(=O)c1ccc(OCCCl)cc1	37369652	KYKYDLWIBQQHMJ-UHFFFAOYSA-N	234.704	1.708	50	30	BDGC	
CCOC(=O)[C@](Cl)(N=C=O)C(F)(F)F	2159457	XSXGRHWYQKHWEI-YFKPBYRVSA-N	231.557	1.383	50	30	BDGC	
O=C(CCBr)OCCCCCO	33611256	MLCADUOZDASYJQ-UHFFFAOYSA-N	239.109	1.477	50	30	BDGC	
CC1(C)C[C@]1(N)C(=O)O[Si](C)(C)C	195957622	DCNZAWWDMXMSIM-VIFPVBQESA-N	201.342	1.492	50	30	BDGC	
Cn1cc(-c2cc(CBr)on2)cn1	69970054	WPDBAXBQWPBSKM-UHFFFAOYSA-N	242.076	1.970	50	30	BDGC	in-vitro
C[C@H]1[C@@H](C)[C@H](N=C=O)[C@@H](C)[C@@H](C)[C@@H]1N=C=O	256090734	QKNMFOYJBHCEGR-WAODVVSYSA-N	222.288	1.953	50	30	BDGC	
C[C@@]1(C(F)(F)F)CC(=O)NC(O)=C1C#N	39110211	QFHHUXXDTIVVFA-SSDOTTSWSA-N	220.150	1.368	50	30	BDGC	
CC(C)(C)n1nnc(CCBr)n1	521399037	BHVQASIRJPOEQK-UHFFFAOYSA-N	233.113	1.366	50	30	BDGC	
CCOP(=O)(OCC)[C@H](Cl)C(=O)O	36421283	YSQPMPQXDVTWEY-YFKPBYRVSA-N	230.584	1.902	50	30	BDGC	
COCC1(CBr)CCOCC1	83171590	KDRLVMCFXRJEMW-UHFFFAOYSA-N	223.110	1.825	50	30	BDGC	
COc1ccc(/C=N/NC(=O)c2ccc[nH]2)cc1	111550	FSLCEEGHUDKPHN-OQLLNIDSSA-N	243.266	1.787	50	30	BDGC	
CC(C)(C)N[Si](C)(C)OS(C)(=O)=O	195880567	FHRLQQKSRHYFLG-UHFFFAOYSA-N	225.386	1.053	50	30	BDGC	
N#CC(N)=C(C#N)N=Cc1ccc(C(=O)O)cc1	2265272020	GKQHGOPJVRRPSP-UHFFFAOYSA-N	240.222	1.021	50	30	BDGC	
NC(=O)[C@H](Br)C1CCCC1	238551004	QGBAGJFSWPOCAT-ZCFIWIBFSA-N	206.083	1.425	50	30	BDGC	
C[C@H]1OC(=O)C[C@@H]1I	5736098	FTDKROIGAJDVCT-DMTCNVIQSA-N	226.013	1.125	50	30	BDGC	
Cc1cccc(C)c1CCNNC(N)=O	39105588	QUPIJLLLJQLRCS-UHFFFAOYSA-N	207.277	1.019	50	30	BDGC	
N#CC(C#N)=Cc1ccccc1N1CCOCC1	111296	OVTRWZIBNWDCJH-UHFFFAOYSA-N	239.278	1.954	50	30	BDGC	
O=C(CCl)c1ccc(O)c(C(=O)O)c1	39055639	RZJQBSLSEDRFGI-UHFFFAOYSA-N	214.604	1.512	50	30	BDGC	
BrC[C@@H]1OCCOC12CCC2	2265385310	GRHHKWLYQYBFMA-ZETCQYMHSA-N	221.094	1.719	50	30	BDGC	
COC(=O)[C@]1(CBr)CCCO1	1535513506	UQBVHFQQKXZWSF-SSDOTTSWSA-N	223.066	1.104	50	30	BDGC	
OB(O)c1ccc(F)c(Oc2ccccc2)c1	196682249	IHGYXLJMQFSFPP-UHFFFAOYSA-N	232.019	1.298	50	30	BDGC	
C[C@]1(c2ccc(F)cc2)CC(=O)OC1=O	59093907	FIGPBBMFLYOGKB-LLVKDONJSA-N	208.188	1.557	50	30	BDGC	in-vitro
FC1(F)C[C@@H]1OCCBr	407985747	KOGZKWGYNINJSI-BYPYZUCNSA-N	201.010	1.806	50	30	BDGC	
O=C(CCl)N1CC2CCC(CC2)C1	1755997	OZKJSYJSHRYFEH-UHFFFAOYSA-N	201.697	1.874	50	30	BDGC	
COC(=O)NN=C(C)c1ccc(OC)cc1	254500655	FKXIEMKBZTWPIF-UHFFFAOYSA-N	222.244	1.775	50	30	BDGC	
O=C(Cl)c1ccc(-n2cncn2)cc1	39057327	UYDCXLDFBXYXMA-UHFFFAOYSA-N	207.620	1.646	50	30	BDGC	
CC[C@]1(c2ccccc2)NC(=O)OC1=O	142802655	GIBUJDSXBWPQGN-LLVKDONJSA-N	205.213	1.558	50	30	BDGC	
CO[Si](Nc1ccccc1)(OC)OC	196723643	LDWBQADKOUWRIR-UHFFFAOYSA-N	213.309	1.473	50	30	BDGC	
C[C@H]1CN(CCBr)C[C@@H]1C	86011264	AQILWVAYIJHZEC-YUMQZZPRSA-N	206.127	1.969	50	30	BDGC	
CCOC(=O)c1c(CCl)n[nH]c1C	59816099	ILCIVHBRUOGAEC-UHFFFAOYSA-N	202.641	1.634	50	30	BDGC	
C[C@@H](Br)C(=O)CBr	138673879	XVMIKRZPDSXBTP-GSVOUGTGSA-N	229.899	1.734	50	30	BDGC	
NNC(=O)CCCCOCc1ccccc1	82463292	OMDBUBRGKQELTE-UHFFFAOYSA-N	222.288	1.363	50	30	BDGC	
O=C1[C@H](Br)CCN1C1CCC1	82607287	QOHXJUILJIYNTK-SSDOTTSWSA-N	218.094	1.535	50	30	BDGC	
CC(=O)c1cc(CBr)on1	216162864	FJXFZIWVWJTNLQ-UHFFFAOYSA-N	204.023	1.772	50	30	BDGC	in-vitro
COC(CN(CCCl)CCCl)OC	95866386	NMWFEZUGIKLRBH-UHFFFAOYSA-N	230.135	1.385	50	30	BDGC	
CCOC(=O)[C@@H]1CCC[C@H]1C(=O)Cl	39057254	ALJRVWWGDYYIBO-RNFRBKRXSA-N	204.653	1.731	50	30	BDGC	
CCOC(=O)[C@H]1CC[C@H]1Br	60015010	NVYFOAIDPCMXGS-NTSWFWBYSA-N	207.067	1.723	50	30	BDGC	
CC(C)(C)OC(=O)NC/C=C/C=C/C=O	39093580	OQCDKNOBNSEWJZ-YDFGWWAZSA-N	211.261	1.822	50	30	BDGC	
Cc1ccc2c(C(=O)NN)cccc2n1	383422555	QAMXYSATHSUXGA-UHFFFAOYSA-N	201.229	1.147	50	30	BDGC	
BrCCCO[C@@H]1CCOC1	68576775	VQNKAASCKJUINI-SSDOTTSWSA-N	209.083	1.577	50	30	BDGC	in-vitro
CCN1CCC[C@@H](Br)C1=O	70060717	QMNCTCDOZNVJIC-ZCFIWIBFSA-N	206.083	1.392	50	30	BDGC	
CC[C@@]1(c2ccccc2)NC(=O)OC1=O	142802874	GIBUJDSXBWPQGN-NSHDSACASA-N	205.213	1.558	50	30	BDGC	
CC(C)N1CCN(CCCBr)CC1	40991012	RKIFQYFBXGMVPW-UHFFFAOYSA-N	249.196	1.797	50	30	BDGC	
O=C(N=C=S)C(Cl)(Cl)Cl	34612064	NUJKKNIHJVAYQZ-UHFFFAOYSA-N	204.465	1.986	50	30	BDGC	
COC(=O)NN=C(C)c1ccc(F)cc1	254619821	DOBPWBBOOGXDDW-UHFFFAOYSA-N	210.208	1.906	50	30	BDGC	
O=C(Cl)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	34165930	IOTMQBKTKUBMJP-UHFFFAOYSA-N	244.590	1.811	50	30	BDGC	in-vitro
CCC(CC(=O)C(F)(F)F)=NNC(=O)CC#N	2265276863	BYAKFSQAEHAYGC-UHFFFAOYSA-N	249.192	1.304	50	30	BDGC	
FC(F)(F)[C@H](CCCl)N1CCOCC1	950757448	FIZNWESGKCFNQE-ZETCQYMHSA-N	231.645	1.878	50	30	BDGC	
CS(=O)(=O)c1ccc(CBr)o1	299805398	MLGGPRWHXUZNIX-UHFFFAOYSA-N	239.090	1.578	50	30	BDGC	
N#Cc1ccccc1-c1cccc(B(O)O)c1F	196130769	PODKTOWRSBFDPR-UHFFFAOYSA-N	241.030	1.044	50	30	BDGC	
N#CC(C#N)=CN1CCc2ccccc2C1	4078449	XWXNAUJZOYZIRK-UHFFFAOYSA-N	209.252	1.976	50	30	BDGC	
O=C(Cl)N1CCN(/N=C/c2ccco2)C1=O	38801747	ZWXXVWSSKFZMOJ-IZZDOVSWSA-N	241.634	1.710	50	30	BDGC	
O=C(Cl)[C@@H]1CCOc2ccccc2O1	39057527	OQHRZROPXOWOCD-VIFPVBQESA-N	212.632	1.982	50	30	BDGC	
Cc1c(C(=O)CBr)cnn1C	87224536	BPMDWDBIHXFNEY-UHFFFAOYSA-N	217.066	1.306	50	30	BDGC	
COc1ccnc(CBr)c1	88190250	OETPLZMWEOJJQW-UHFFFAOYSA-N	202.051	1.985	50	30	BDGC	
C=CCOC(=O)c1cc(CBr)on1	146510355	NQQLQOYPMBTEMD-UHFFFAOYSA-N	246.060	1.912	50	30	BDGC	
CCOC(=O)NNC(C)(C)c1ccc(O)cc1	33855546	BJBMMZWDNOXZGI-UHFFFAOYSA-N	238.287	1.878	50	30	BDGC	
CC1=C2CCC[C@@H]2CC/C1=N\NC(N)=O	80014	ACGPKNMJUFBWGA-JSGDOSECSA-N	207.277	1.921	50	30	BDGC	
C[C@H]1CCC[C@H](NNC(=O)c2ccncc2)C1	2018624	MVFSFRSWCGDGFZ-JQWIXIFHSA-N	233.315	1.895	50	30	BDGC	
BrCCN1CCN(C2CC2)CC1	42491021	SAFIEWGDYXUOHS-UHFFFAOYSA-N	233.153	1.161	50	30	BDGC	
N#CC(N)=C(C#N)N=Cc1cccs1	2265224236	MPZLCSFODCVTFK-UHFFFAOYSA-N	202.242	1.384	50	30	BDGC	
Cn1nnc(Br)c1CCl	300812074	YKXTZHHUKMHKLN-UHFFFAOYSA-N	210.462	1.316	50	30	BDGC	
CC[C@@](C)(CBr)C(=O)OC	202340270	GXVXFWWVJDEFNG-ZETCQYMHSA-N	209.083	1.971	50	30	BDGC	
Cc1ccc([C@]2(C(N)=O)O[C@@H]2Cl)c(Cl)c1	6070620	RUCYUEOPKJWVRX-WPRPVWTQSA-N	246.093	1.924	50	30	BDGC	
CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	164633	QQBUEMKOQCLCOW-UHFFFAOYSA-N	249.314	1.558	50	30	BDGC	
COc1ccc(CCl)cc1S(C)(=O)=O	62152015	HMEUVZNQILIWNR-UHFFFAOYSA-N	234.704	1.838	50	30	BDGC	in-vitro
NNC(=O)c1c2ccccc2nc2ccccc12	5103616	VHRLVUJHCUFYRG-UHFFFAOYSA-N	237.262	1.992	50	30	BDGC	
BrC[C@@H]1CC[C@@]2(CCOC2)O1	306430190	QKAURQGZXCJRCG-YUMQZZPRSA-N	221.094	1.719	50	30	BDGC	
O=C(O)C[C@]1(CBr)CCOC1	2265385004	OXEAVIRTQDGGHX-ZETCQYMHSA-N	223.066	1.263	50	30	BDGC	
O=C1C[C@]2(CC(F)(F)C2(F)F)C(=O)O1	675050619	DGRHRKDBGRTCKG-YFKPBYRVSA-N	212.098	1.121	50	30	BDGC	
O=C(CBr)[C@@H]1CCC[C@@H](O)C1	39054650	SKKIXYZPTKTCNX-RNFRBKRXSA-N	221.094	1.502	50	30	BDGC	
CON=CC(C#N)=Cc1ccccc1O	2265228151	GELRBZUDSVEOSC-UHFFFAOYSA-N	202.213	1.931	50	30	BDGC	
O=C(NCCc1ccncc1)C(Cl)Cl	166115	UAHFSHSBXHEHCW-UHFFFAOYSA-N	233.098	1.544	50	30	BDGC	
NS(=O)(=O)c1ccc(CCl)cc1	118595455	BSXHSFRFTTYXOI-UHFFFAOYSA-N	205.666	1.073	50	30	BDGC	
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CCl	209713902	SGFCVXCQAUOFSP-NKWVEPMBSA-N	223.700	1.499	50	30	BDGC	
O=C(CCl)CS(=O)(=O)c1ccccc1	32224641	KYMPNYZODVAUHX-UHFFFAOYSA-N	232.688	1.268	50	30	BDGC	
FC(F)(F)Cc1noc(CCl)n1	42412968	MXDUEINIDPAOHK-UHFFFAOYSA-N	200.547	1.913	50	30	BDGC	in-vitro
Cc1cc(Cl)ccc1[C@@]1(C(N)=O)O[C@@H]1Cl	6070150	WMYXMCBISNXBSE-WCBMZHEXSA-N	246.093	1.924	50	30	BDGC	
O=[N+]([O-])c1ccn(CCCBr)n1	40517174	SRIYOBJOTYUNPL-UHFFFAOYSA-N	234.053	1.576	50	30	BDGC	in-vitro
CC(C)(C)OC(=O)NN=Cc1ccc[nH]1	254382177	TXJMXJIZIFLYON-UHFFFAOYSA-N	209.249	1.873	50	30	BDGC	
CC(C)(C)[Si](C)(C)OCC[C@H](O)C(=O)O	197678784	KTGWVORWFIZPCP-QMMMGPOBSA-N	234.368	1.844	50	30	BDGC	
COC(=O)c1cccc2nc(CCl)cn12	238406438	JGVLDHRZXKPYBM-UHFFFAOYSA-N	224.647	1.860	50	30	BDGC	
COC(=O)C1(CCl)CN(C2CCC2)C1	1535645515	IESZSZDWSGPJHT-UHFFFAOYSA-N	217.696	1.253	50	30	BDGC	
C[C@@H](O)CN(Cc1ccccc1)C(=O)CCl	95642733	VFWQOZBAUKDKIB-SNVBAGLBSA-N	241.718	1.635	50	30	BDGC	
OB(O)c1cccc(SCC(F)(F)F)c1	196236653	ORNQEDKTMCJEHC-UHFFFAOYSA-N	236.023	1.021	50	30	BDGC	
CC(C)(C)N1CC[C@H](Br)C1=O	82606594	SIGBSXRCJMDTJW-LURJTMIESA-N	220.110	1.781	50	30	BDGC	
C[Si](C)(C)OCCC1=CCC[C@H](O)[C@@H]1O	2265352187	UYMRFXPQLSBZHO-WDEREUQCSA-N	230.380	1.670	50	30	BDGC	
O=C(Cl)c1cnc2ccnn2c1Cl	34452627	CTUJLYUKIJKIHF-UHFFFAOYSA-N	216.027	1.762	50	30	BDGC	
Cn1cc(CCl)c(Br)n1	584880273	VMXMDGNXBKSYFQ-UHFFFAOYSA-N	209.474	1.921	50	30	BDGC	in-vitro
Cc1cc(F)ccc1-c1ccc(C(=O)NN)nn1	21300356	ROKSYFZHIHRKKT-UHFFFAOYSA-N	246.245	1.195	50	30	BDGC	
COC(=O)c1cc(C=C(C#N)C#N)cn1C	112655	VCCHIGSFEKKVEE-UHFFFAOYSA-N	215.212	1.242	50	30	BDGC	
CCOC(=O)[C@@H]1CC[C@H]1Br	60015009	NVYFOAIDPCMXGS-PHDIDXHHSA-N	207.067	1.723	50	30	BDGC	
Cc1c(OC2CCCCC2)cccc1B(O)O	604934424	QIYAKUPRNXRPNL-UHFFFAOYSA-N	234.104	1.386	50	30	BDGC	
COC(=O)CCCC[C@H](O)CCCl	22007592	MJGRFAJZJNWXBR-QMMMGPOBSA-N	208.685	1.710	50	30	BDGC	
COC(=O)NN=C(C)c1ccc(O)cc1	256080998	YTVIYKVVQWUYLE-UHFFFAOYSA-N	208.217	1.472	50	30	BDGC	
CN(C)c1ccc(/C=C(\C#N)C(N)=O)c(Cl)c1	12340157	HDCDZYNPKYHIBT-WEVVVXLNSA-N	249.701	1.798	50	30	BDGC	
Cc1cc(B(O)O)cc(-c2ccccc2)c1	309148973	NVHLSINFUXNPRQ-UHFFFAOYSA-N	212.057	1.342	50	30	BDGC	
O=S(=O)(CCl)Oc1ccccc1	39418774	ZVSNYNWVSABRAG-UHFFFAOYSA-N	206.650	1.592	50	30	BDGC	
ClCc1nc2ncc(Br)cn2n1	616583270	YFYRIUGUAOWWDU-UHFFFAOYSA-N	247.483	1.626	50	30	BDGC	
CC(=O)N1CCC[C@H](C(=O)CBr)C1	211907000	TUHBXJHBYUUKRP-QMMMGPOBSA-N	248.120	1.209	50	30	BDGC	
Cn1cc(Cl)c(CBr)n1	114722641	SCCZEUVSDLRHJW-UHFFFAOYSA-N	209.474	1.968	50	30	BDGC	
CCOC(=O)C[C@@H](Cl)C(=O)OCC	34546235	JWJDXJCSVYLGDD-ZCFIWIBFSA-N	208.641	1.110	50	30	BDGC	
CC(C)(C)OC(=O)NCCCN=C=O	141462833	WSTWKGLCTVICLN-UHFFFAOYSA-N	200.238	1.237	50	30	BDGC	
Cc1cc(C(=O)NNc2ccc(F)cc2)no1	151431	BVAINDZISGHOQL-UHFFFAOYSA-N	235.218	1.879	50	30	BDGC	
CCCC(CC(=O)OCC)=NNC(=O)CC#N	263622499	NLFPHKBZRBYRFM-UHFFFAOYSA-N	239.275	1.126	50	30	BDGC	
O=C1O[C@@H](CBr)CC12CC2	98095376	UFRZINCVUBJKLD-RXMQYKEDSA-N	205.051	1.477	50	30	BDGC	in-vitro
CCN1C[C@H](CBr)CC1=O	238247389	KRLNXSMTHLJYCC-LURJTMIESA-N	206.083	1.250	50	30	BDGC	
C/C(=N\NC(N)=O)c1c(F)cccc1F	138676	YQJNGNICIQJQTN-WLRTZDKTSA-N	213.187	1.357	50	30	BDGC	
COc1ccc2c(c1)CCC/C2=N\NC(N)=O	4323916	GRXIUDITOYZBLN-SDNWHVSQSA-N	233.271	1.404	50	30	BDGC	
C[Si](C)(C)OC(=O)[C@@H]1CC[C@H](N=C=O)C1	407986261	YJFHJWCRHMEHGX-BDAKNGLRSA-N	227.336	1.869	50	30	BDGC	
CCOC(=O)c1cc(CBr)[nH]n1	198899781	HXRBCNDNYCFPFV-UHFFFAOYSA-N	233.065	1.481	50	30	BDGC	
CC(=O)OC(=O)c1ccc(N(C)C)cc1O	299754698	IKBIECBUPGGTNF-UHFFFAOYSA-N	223.228	1.162	50	30	BDGC	
COc1cc(CBr)cc(OC)n1	143290775	OZRGOIMYZFIDKT-UHFFFAOYSA-N	232.077	1.994	50	30	BDGC	
COc1ccc(C=NNC(=O)CC#N)cc1	12340132	SBZFHVVLMCTTBI-UHFFFAOYSA-N	217.228	1.059	50	30	BDGC	
CC(C)(C)OC(=O)CC(=O)C[C@@H](O)CCl	2539884	WLRFCPQXWBDLRG-MRVPVSSYSA-N	236.695	1.277	50	30	BDGC	in-vitro
O=CNc1ccc(C(=O)O)cc1CCl	33867045	PEKPPMAMLZHDRV-UHFFFAOYSA-N	213.620	1.692	50	30	BDGC	
C[C@@H](CBr)CN1CCOCC1	83156743	KBQXRUZLEXZYBY-QMMMGPOBSA-N	222.126	1.350	50	30	BDGC	
N#CC1(OCCBr)CCC1	306963238	HQGWWOJEXADJMA-UHFFFAOYSA-N	204.067	1.844	50	30	BDGC	
CCOC(=O)[C@H](Cl)C(=O)CC(C)C	100442179	YCIZIUUFBFSOBV-MRVPVSSYSA-N	206.669	1.772	50	30	BDGC	in-vitro
ClCC1OC(CCl)OC(CCl)O1	1728683	DZPKGHCUNRKJJO-UHFFFAOYSA-N	235.494	1.745	50	30	BDGC	
O=C1CCC[C@H](CCBr)O1	114728795	FHEQVWQLHIOUCE-ZCFIWIBFSA-N	207.067	1.867	50	30	BDGC	
Cc1ccc([C@@]2(C(N)=O)O[C@@H]2Cl)c(Cl)c1	6070618	RUCYUEOPKJWVRX-WCBMZHEXSA-N	246.093	1.924	50	30	BDGC	
CC[C@](C)(CBr)C(=O)OC	202340291	GXVXFWWVJDEFNG-SSDOTTSWSA-N	209.083	1.971	50	30	BDGC	
COc1cc(NC(=O)NN)c(OC)cc1Cl	34977762	MKIHNJMCQSDIRW-UHFFFAOYSA-N	245.666	1.352	50	30	BDGC	in-vitro
OB(O)Cc1ccc(Br)cc1	203448302	RSWIHXSUDPQOIR-UHFFFAOYSA-N	214.855	1.004	50	30	BDGC	
O=C(Cc1ccccc1)NN=Cc1cccnc1	13115202	SMUOPVMIAAVILN-UHFFFAOYSA-N	239.278	1.774	50	30	BDGC	
NNC(=O)c1cncc(C#Cc2ccccc2)c1	170165	DLDVVLPLKHCXAE-UHFFFAOYSA-N	237.262	1.085	50	30	BDGC	
CC(C)(C)OC(=O)[C@H]1CC[C@H](C(=O)NN)CC1	334163758	CSWCPPSOAOFOTE-KYZUINATSA-N	242.319	1.124	50	30	BDGC	
N#CC(=CNc1ccccc1)c1nn[nH]n1	2265213572	SOXCTISAYHQOEE-UHFFFAOYSA-N	212.216	1.176	50	30	BDGC	
BrCc1ccn2ncnc2c1	958751082	NHGIAYQVEXFHCR-UHFFFAOYSA-N	212.050	1.624	50	30	BDGC	
C[C@H]1OC(=O)C[C@H]1I	5736027	FTDKROIGAJDVCT-QWWZWVQMSA-N	226.013	1.125	50	30	BDGC	
CSc1nc(NC(=O)CCl)ns1	4290486	UWBBMLMYQAUXAR-UHFFFAOYSA-N	223.710	1.437	50	30	BDGC	
NNC(=O)CNc1ccc(Cl)c(Cl)c1	172840	JGUCQLHHDCRMFL-UHFFFAOYSA-N	234.086	1.395	50	30	BDGC	
Cc1cccc(C(=O)CBr)n1	39055652	UTOCGDHGZVWDAJ-UHFFFAOYSA-N	214.062	1.968	50	30	BDGC	
Cc1c(B(O)O)cccc1-c1ccccc1	757195086	ZIMOLYFKVZKGNF-UHFFFAOYSA-N	212.057	1.342	50	30	BDGC	
CC(=O)OCc1ccc(C=C(C#N)C#N)o1	102651	GQPSAGCJYQZPPH-UHFFFAOYSA-N	216.196	1.773	50	30	BDGC	
CC1=C(C#N)[C@H](c2ccccc2)NC(=O)N1	163201	GWHSEBBRMCQXQW-NSHDSACASA-N	213.240	1.838	50	30	BDGC	
O=C(CBr)c1ccc(O)nc1	306626597	IENVVCBBYMMQAQ-UHFFFAOYSA-N	216.034	1.365	50	30	BDGC	
O[C@H](CCl)CN1CCCC(F)(F)C1	405029262	NZKLFBDXIZHVAN-SSDOTTSWSA-N	213.655	1.317	50	30	BDGC	
CCOC(=O)/C=N/NC(=O)OC(C)(C)C	96331727	ZJYIJBTURMPVEE-UXBLZVDNSA-N	216.237	1.060	50	30	BDGC	
C=CC(=O)OCCCCOC(=O)CCl	96327171	LLDNFFCYZUBMQU-UHFFFAOYSA-N	220.652	1.278	50	30	BDGC	
FC1(F)CO[C@@H](CI)C1	725266707	UACFIUCWRPZTLV-SCSAIBSYSA-N	248.010	1.846	50	30	BDGC	
CN1N=C(C(F)(F)F)[C@@H](Br)C1=O	106386998	SCJJHLMKNIKQGJ-UWTATZPHSA-N	244.998	1.140	50	30	BDGC	
CCOc1ccccc1[C@H]1NC(=O)OC1=O	138065808	FAVVJZKBJYPIKQ-SECBINFHSA-N	221.212	1.393	50	30	BDGC	
C[C@H](Br)C(=O)C1CCOCC1	238857107	YEFHYSLHOYYJJL-LURJTMIESA-N	221.094	1.766	50	30	BDGC	
CCOC(=O)N/N=C(\C)c1ccc(O)cc1	4389484	CLJBVUUDSXMRPF-XYOKQWHBSA-N	222.244	1.862	50	30	BDGC	
BrC[C@@H]1C[C@H]2C[C@@H]1[C@@H]1O[C@@H]12	34562992	PLGXYZPXRQBMHA-ZXVYDBTHSA-N	203.079	1.805	50	30	BDGC	
COC(=O)c1cccc(C(=O)Cl)c1O	39055868	QQSGTPUBGPASTG-UHFFFAOYSA-N	214.604	1.558	50	30	BDGC	
Cc1cc(C(=O)CBr)ccn1	117422461	ACZKDYLQIMFLCY-UHFFFAOYSA-N	214.062	1.968	50	30	BDGC	
C[C@H]1CO[Si](C)(C)O[C@@H](C)CO[C@H](C)CO1	255973991	GHXLVBXHSVWTGW-VWYCJHECSA-N	248.395	1.934	50	30	BDGC	
I[C@H]1CC[C@H]2CO[C@H]1C2	584879989	LVVJXHZCNVJJAT-VQVTYTSYSA-N	238.068	1.989	50	30	BDGC	
O=C(Cl)C1(Br)CCOCC1	95883686	NXUDQYXLUDZDPL-UHFFFAOYSA-N	227.485	1.696	50	30	BDGC	
C1C[C@@H](SS[C@@H]2CCNC2)CN1	2265385583	NMOFPJYNILIJAJ-HTQZYQBOSA-N	204.364	1.092	50	30	BDGC	
BrCCOC[C@@H]1CCCO1	19421819	SVWDVYJZNRPALE-ZETCQYMHSA-N	209.083	1.577	50	30	BDGC	in-vitro
OB(O)c1cccc2cc(C(F)(F)F)ccc12	382635985	OFZTXHUDTQVBKV-UHFFFAOYSA-N	239.989	1.538	50	30	BDGC	
CCC[C@](C)(NC(=O)CCl)C(=O)OC	95348460	FKLATXULHRXHTD-VIFPVBQESA-N	221.684	1.073	50	30	BDGC	in-vitro
BrCc1ccc(-c2nnn[nH]2)cc1	95233980	CTJRBBXSJAWDLW-UHFFFAOYSA-N	239.076	1.762	50	30	BDGC	biogenic
O=C1NCCCC[C@@H]1CBr	642882442	ZXVHHQWEZYZWSK-ZCFIWIBFSA-N	206.083	1.298	50	30	BDGC	
CCOC(=O)[C@@](C)(C#N)CBr	36420986	CDRLYUCCAVRYIP-SSDOTTSWSA-N	220.066	1.474	50	30	BDGC	
COC(=O)[C@@H]1CC=CC[C@H]1C(=O)Cl	39057169	MWOSGKUVHHKVER-RNFRBKRXSA-N	202.637	1.507	50	30	BDGC	
C[C@H]1CC[C@H](C)N1C(=O)CBr	39054656	UQZVNTZQPMYZPS-BQBZGAKWSA-N	220.110	1.781	50	30	BDGC	
ICCN1CCCCC1	34406817	ZVLHXVJIVFFKCC-UHFFFAOYSA-N	239.100	1.907	50	30	BDGC	
N#C/C(N)=C(\C#N)NCc1cccc(Cl)c1	20432605	QWBCQEIPUQVOON-KHPPLWFESA-N	232.674	1.647	50	30	BDGC	
COC(=O)C1(CBr)CCOCC1	217009847	BCFIGFPEACJCAX-UHFFFAOYSA-N	237.093	1.351	50	30	BDGC	
CCOC(=O)COCC(Cl)Cl	100341454	SGMABIMVUVJIKC-UHFFFAOYSA-N	201.049	1.370	50	30	BDGC	
CNC(=O)NNc1ccc(-c2csnn2)cc1	106728	GREHNGTZQJZVSC-UHFFFAOYSA-N	249.299	1.461	50	30	BDGC	
C[C@@H]1SCCN1P(=O)(N1CC1)N1CC1	42833771	FJYYWRQKUXJNMW-QMMMGPOBSA-N	233.277	1.121	50	30	BDGC	
O=C(NNc1ccc(F)cc1)c1ccno1	151438	LTCXKWAFPFZHBU-UHFFFAOYSA-N	221.191	1.571	50	30	BDGC	
CC(=O)N[C@@H](Cl)C(=O)c1ccccc1	39055590	KEBPJACCSMNODE-SNVBAGLBSA-N	211.648	1.570	50	30	BDGC	
Cc1cc(Cl)ccc1[C@]1(C(N)=O)O[C@H]1Cl	6070151	WMYXMCBISNXBSE-SCZZXKLOSA-N	246.093	1.924	50	30	BDGC	
O=C(NCCCl)c1ccccc1[N+](=O)[O-]	33608384	JMTMTKFVHPTYCR-UHFFFAOYSA-N	228.635	1.563	50	30	BDGC	
COC(=O)[C@@H]1[C@@H](C(=O)CCl)C1(C)C	39055378	LAIZJMBDBAKCOZ-RQJHMYQMSA-N	204.653	1.240	50	30	BDGC	
CC(C)(C)OC(=O)NNCc1ccno1	39093736	BUQABCLUSSUMPY-UHFFFAOYSA-N	213.237	1.204	50	30	BDGC	
COc1ccc2cc([C@H](C)C(=O)NN)ccc2c1	103453	AIALPRRFGQBFKL-VIFPVBQESA-N	244.294	1.942	50	30	BDGC	
C[C@H](Br)C(=O)[C@H]1CCCOC1	725673454	VMDXSAVAQCTULN-BQBZGAKWSA-N	221.094	1.766	50	30	BDGC	
NNC(=O)c1ccnc(-c2ccccc2)c1	1563460	RPXUGIXOYDOMAN-UHFFFAOYSA-N	213.240	1.352	50	30	BDGC	
CC(C)(C)NS(=O)(=O)CBr	127029255	YPBRPVVUBGFQMC-UHFFFAOYSA-N	230.127	1.057	50	30	BDGC	in-vitro
CC(C)(CBr)S(C)(=O)=O	69714744	WOPVXRNGFCPTCG-UHFFFAOYSA-N	215.112	1.205	50	30	BDGC	
CN(C)S(=O)(=O)c1ccc(CCl)cc1	34501193	GDXAELMGUDRSEJ-UHFFFAOYSA-N	233.720	1.676	50	30	BDGC	
CN(C)C=NNC(=O)c1ccc(Cl)cc1	13142826	WMRZQKCVTKPZEO-UHFFFAOYSA-N	225.679	1.575	50	30	BDGC	
Cc1ccsc1C=NNC(=O)CC#N	254700055	ZLBNGHLDLBLJLI-UHFFFAOYSA-N	207.258	1.420	50	30	BDGC	
COC(=O)c1cc(CCCBr)on1	2265385110	CCVUEZBOZJKWLD-UHFFFAOYSA-N	248.076	1.789	50	30	BDGC	
CC(=O)O[Si](C)(OC(C)=O)c1ccccc1	195767042	AWFOOUAPWFZKQK-UHFFFAOYSA-N	238.315	1.092	50	30	BDGC	
CCO[Si](OCC)(OCC)[C@H](C)CN	195765578	RYRGXTAWWFMZRN-SECBINFHSA-N	221.373	1.384	50	30	BDGC	
CC(C)OC[C@@H](O)CI	75772112	SVJUEFKXTHJJEN-LURJTMIESA-N	244.072	1.207	50	30	BDGC	
C=CC[C@@]1(C(=O)Cl)COC(C)(C)O1	39057278	SQKXYUNSPYDNQY-VIFPVBQESA-N	204.653	1.850	50	30	BDGC	
CCOC(=O)c1cnc(NC)nc1CCl	230391931	AKKDCWIHPJDCEZ-UHFFFAOYSA-N	229.667	1.434	50	30	BDGC	
OC1(CI)CCC1	575456946	OCHBRCUATRHNRF-UHFFFAOYSA-N	212.030	1.336	50	30	BDGC	
COC[C@H](C)I	84844714	ZPHCRNNVHZDKDU-BYPYZUCNSA-N	200.019	1.456	50	30	BDGC	in-vitro
CO[C@@H](C)CI	34311256	FIUGHGUTAZLFGL-BYPYZUCNSA-N	200.019	1.456	50	30	BDGC	in-vitro
CN1CCC[C@H](CBr)C1=O	299805501	QRPDNFCNRVEUIB-ZCFIWIBFSA-N	206.083	1.250	50	30	BDGC	
CCOC(=O)[C@H]1C[C@H](Br)C1	306921471	QMVKGRUSDZOUNA-IZLXSQMJSA-N	207.067	1.723	50	30	BDGC	
C[C@@H]1CN(CCBr)C[C@H]1C	86011265	AQILWVAYIJHZEC-HTQZYQBOSA-N	206.127	1.969	50	30	BDGC	
CC(=O)O[C@@H]1CCCN(C(=O)Cl)C1	958678643	BKJVHQAQRJBJQZ-SSDOTTSWSA-N	205.641	1.373	50	30	BDGC	
CC(C)n1ncnc1C(=O)CBr	95803124	CSFDXXWZGBUKOG-UHFFFAOYSA-N	232.081	1.437	50	30	BDGC	
C[N+](C)(Cc1ccccc1)C[C@@H](O)CCl	6068230	RAMIXFMCLRZLAK-LBPRGKRZSA-N	228.743	1.863	50	30	BDGC	
CCCNC(=O)NNC(=O)c1cccs1	3078771	NXKLNOGCVXHADG-UHFFFAOYSA-N	227.289	1.102	50	30	BDGC	
CSSCCC(=O)N(C)[C@@H](C)C(=O)O	116950665	OPKAUPROPWPLTQ-LURJTMIESA-N	237.346	1.319	50	30	BDGC	
C[C@@H](Br)OC(=O)Cc1ccccn1	238403466	VQUDYRULYVWTQT-ZETCQYMHSA-N	244.088	1.908	50	30	BDGC	
BrCc1ncnc2c1OCCO2	2265378595	VGKPFHSOQOFICM-UHFFFAOYSA-N	231.049	1.143	50	30	BDGC	
CS(=O)(=O)c1cc(CBr)co1	521399727	LYHWSQRPKCDFQW-UHFFFAOYSA-N	239.090	1.578	50	30	BDGC	
NC(=O)[C@H](Br)Cc1ccc(F)cc1	95348233	ISLSMDMOUXWHQC-MRVPVSSYSA-N	246.079	1.617	50	30	BDGC	in-vitro
N#Cc1ccccc1OC[C@@H](O)CCl	22010738	MUFFOLPYTIIKNT-VIFPVBQESA-N	211.648	1.537	50	30	BDGC	
O=C1O[C@@H](CBr)CN1C1CC1	82366023	TVJVXHIYPVCLCQ-LURJTMIESA-N	220.066	1.365	50	30	BDGC	
COc1ccc(-c2noc(CCl)n2)nn1	235051333	QXRLYKBDVLSQEA-UHFFFAOYSA-N	226.623	1.274	50	30	BDGC	
Cc1ccc(S(=O)(=O)CN=C=O)cc1	36437424	IAYSDKUKIIYRRA-UHFFFAOYSA-N	211.242	1.062	50	30	BDGC	
CCOCCCI	39310789	TYODDTFWIMEWAD-UHFFFAOYSA-N	214.046	1.848	50	30	BDGC	
CCOC(=O)/C(C#N)=C/N(CC)C[C@@H](O)CC	2161458	ZUMVXCNZNOVPJZ-UQSGXBNBSA-N	240.303	1.050	50	30	BDGC	
COc1cccc(O)c1C=C(C#N)C#N	39090671	SSXHFCYICJRUAO-UHFFFAOYSA-N	200.197	1.831	50	30	BDGC	
CCOc1ccccc1C=NNC(C)=O	254342015	FRIKHORRUSLZNA-UHFFFAOYSA-N	206.245	1.555	50	30	BDGC	
CO[C@H](C)CI	34311258	FIUGHGUTAZLFGL-SCSAIBSYSA-N	200.019	1.456	50	30	BDGC	in-vitro
COc1ccc(S(=O)(=O)N=C=O)c(C)c1	41248022	OOIJAJGBPJAZFI-UHFFFAOYSA-N	227.241	1.028	50	30	BDGC	
C[C@H](N/C=C(\C#N)c1nnn[nH]1)C(C)(C)C	20421237	UTYZRLMFRCISFC-DGUDBNDOSA-N	220.280	1.088	50	30	BDGC	
C[C@@H]1CN(CCBr)C[C@@H]1C	86011262	AQILWVAYIJHZEC-OCAPTIKFSA-N	206.127	1.969	50	30	BDGC	
CC[C@H](O)CI	21988512	XATASVWMNXKVMR-BYPYZUCNSA-N	200.019	1.192	50	30	BDGC	
OC1(C(F)F)CC(CBr)C1	2265384637	CUAZDSGLCHZGQM-UHFFFAOYSA-N	215.037	1.788	50	30	BDGC	
COC(=O)/C(C#N)=C/c1[nH]c(C)cc1C	110902	XDRPWAUZPQFFQA-WEVVVXLNSA-N	204.229	1.712	50	30	BDGC	
Cc1c(C(=O)CBr)ncn1C	39055678	KDLXLUWGDVCILX-UHFFFAOYSA-N	217.066	1.306	50	30	BDGC	
CC(C)(C)NS(=O)(=O)C1(CCl)CC1	616582975	SCVASIJJYWDWGA-UHFFFAOYSA-N	225.741	1.476	50	30	BDGC	
C[C@H]1COCCN1CCBr	40990943	WFYJKCWUHCQVDS-ZETCQYMHSA-N	208.099	1.102	50	30	BDGC	
CS(=O)(=O)c1ccc(CC(=O)Cl)cc1	34434866	BZHCNJVEEDSUAH-UHFFFAOYSA-N	232.688	1.398	50	30	BDGC	
COc1ccnc(CBr)n1	64033900	AIFCNARTBBADHK-UHFFFAOYSA-N	203.039	1.380	50	30	BDGC	
Cc1cc(C)nc(CBr)n1	39121223	DIQGQGABRRCAEO-UHFFFAOYSA-N	201.067	1.988	50	30	BDGC	
CCCCOCCOC(=O)[C@H](C)Cl	5821448	XRATVFQSBIVRAJ-QMMMGPOBSA-N	208.685	1.974	50	30	BDGC	
O[C@H](CCl)CN1CCC(F)(F)CC1	405067350	UGZFNMJABLQEJE-SSDOTTSWSA-N	213.655	1.317	50	30	BDGC	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccccc1	111560	FQMRSRXLYQSKSS-UHFFFAOYSA-N	244.254	1.481	50	30	BDGC	
CC(C)(C)OC(=O)N1CCC[C@@H](N=C=O)C1	90645976	KOXWXSXYBKIVDA-SECBINFHSA-N	226.276	1.722	50	30	BDGC	
C[C@@]1(C(=O)Cl)COc2ccccc2O1	39057529	LOWDXWQZUWBHMK-JTQLQIEISA-N	212.632	1.982	50	30	BDGC	in-vitro
CS(=O)(=O)c1ccc(OCCl)cc1	86491164	MAGJPGSFMJAIMT-UHFFFAOYSA-N	220.677	1.665	50	30	BDGC	
ClCc1nccc(N2CCOCC2)n1	34267487	FJZUPJXVAQCYAA-UHFFFAOYSA-N	213.668	1.052	50	30	BDGC	
COC(=O)NN=C(C)c1ccccc1O	254372702	YDDKNJIGRRUFCN-UHFFFAOYSA-N	208.217	1.472	50	30	BDGC	
O=C=NS(=O)(=O)c1cccc(Cl)c1	41230751	BUFPYFZTTSMGCN-UHFFFAOYSA-N	217.633	1.365	50	30	BDGC	in-vitro
Oc1cccc(CBr)c1O	39096368	KDCLXPYGSOSOAO-UHFFFAOYSA-N	203.035	1.993	50	30	BDGC	
Cc1oc(=O)oc1CI	144267547	SMTDIEBUWFHPON-UHFFFAOYSA-N	239.996	1.476	50	30	BDGC	
CCCCC[C@@H](C)S(=O)(=O)OOC(C)=O	111422628	WRUWUYLNUMCQJL-MRVPVSSYSA-N	238.305	1.780	50	30	BDGC	
N#C/C=C1/NC(=O)c2ccccc2S1	4865063	YSMUIMWYNWGLNF-UITAMQMPSA-N	202.238	1.887	50	30	BDGC	
C[C@]1(C(F)(F)F)CC(=O)NC(O)=C1C#N	39110210	QFHHUXXDTIVVFA-ZETCQYMHSA-N	220.150	1.368	50	30	BDGC	
[C-]#[N+][C@H](CCC[C@@H]([N+]#[C-])C(=O)OC)C(=O)OC	95698188	CUTSLEUZXNSJCB-RKDXNWHRSA-N	238.243	1.078	50	30	BDGC	
CO[C@@H](CBr)[C@H]1CCOC1	390822058	YUIMNEHZPGSOKA-BQBZGAKWSA-N	209.083	1.433	50	30	BDGC	
O=C(CCl)CC(=O)Oc1ccccc1	33605197	RMNCNUDRSVATNM-UHFFFAOYSA-N	212.632	1.790	50	30	BDGC	
CCCS(=O)(=O)/C(C#N)=C\OCC	12366921	LMSQPZZJZUPYQU-FPLPWBNLSA-N	203.263	1.213	50	30	BDGC	
CCC1(CCBr)OCCO1	144890342	SQOOQLYZDIWWBP-UHFFFAOYSA-N	209.083	1.925	50	30	BDGC	
COc1ccc(OC)c([C@H](O)CCl)c1	12506262	YWTLEXRPUFPCQB-SECBINFHSA-N	216.664	1.976	50	30	BDGC	
COC(=O)[C@@H]1CSC(C(Cl)Cl)=N1	100104902	FYXOIXUWMFLUTC-VKHMYHEASA-N	228.100	1.477	50	30	BDGC	in-vitro
CS(=O)(=O)CC1(CBr)CC1	82164580	SXXUNLPFKDPLRC-UHFFFAOYSA-N	227.123	1.206	50	30	BDGC	in-vitro
COC(=O)[C@@H](Br)COC(C)(C)C	88010037	NQHJWUFRNXYFJD-LURJTMIESA-N	239.109	1.738	50	30	BDGC	
FC1(F)CCN(CCBr)C1	306390419	VQAFYODPIVCSNP-UHFFFAOYSA-N	214.053	1.722	50	30	BDGC	
Cc1ccc([C@@]2(C(N)=O)O[C@H]2Cl)c(Cl)c1	6070617	RUCYUEOPKJWVRX-PSASIEDQSA-N	246.093	1.924	50	30	BDGC	
CN(C)/C=C(\C#N)C(=O)NC1CCCCC1	12339263	JERBGMIXEUEWGC-MDZDMXLPSA-N	221.304	1.404	50	30	BDGC	
CC(C)(C)OOC(=O)C(=O)OOC(C)(C)C	3650297	HXEQSCUBDIKNLN-UHFFFAOYSA-N	234.248	1.533	50	30	BDGC	
BrCCCO[C@H]1CCOC1	68576777	VQNKAASCKJUINI-ZETCQYMHSA-N	209.083	1.577	50	30	BDGC	in-vitro
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(O)cc1	2560268	DXVJRTIPBNBLLB-YHYXMXQVSA-N	236.234	1.559	50	30	BDGC	in-vitro
COC(=O)c1cc(CCBr)on1	2265384472	HJBIWTNZMFBYQQ-UHFFFAOYSA-N	234.049	1.399	50	30	BDGC	
CC(C)(C)OC(=O)NNCCCCCO	39094185	YSHDHERBUFHPES-UHFFFAOYSA-N	218.297	1.178	50	30	BDGC	
Cn1cncc1CCCBr	299805245	FPHBJLBTZSVCRV-UHFFFAOYSA-N	203.083	1.748	50	30	BDGC	
C[C@H](Br)OC(=O)Cc1ccncc1	96330789	BCHJOUNLWOMJMO-SSDOTTSWSA-N	244.088	1.908	50	30	BDGC	
CCN1C[C@@H](CBr)CC1=O	238245544	KRLNXSMTHLJYCC-ZCFIWIBFSA-N	206.083	1.250	50	30	BDGC	
CCN1C(=O)CC[C@H]1CBr	39297207	RUTNFAWKJRDISV-LURJTMIESA-N	206.083	1.392	50	30	BDGC	
O=[N+]([O-])c1ccc(S(=O)(=O)CCl)cc1	32222826	HXUCIPHYCOTTAS-UHFFFAOYSA-N	235.648	1.565	50	30	BDGC	
CN(C)/C=C(\C#N)S(=O)(=O)c1ccsc1	12369093	MLPRXEVOIQSRKM-RMKNXTFCSA-N	242.325	1.448	50	30	BDGC	
CNNC(=O)c1nc2ccccc2s1	45236341	IYJMYNQRVVCGLL-UHFFFAOYSA-N	207.258	1.161	50	30	BDGC	
CC(C)(C)OC(=O)N1CC(C(=O)OCCl)C1	616578906	VMTJXHSITCFQMG-UHFFFAOYSA-N	249.694	1.593	50	30	BDGC	
CC(C)S(=O)(=O)/C(C#N)=C/c1c[nH]cn1	170126	NRHVSWWDGQZIBL-YCRREMRBSA-N	225.273	1.097	50	30	BDGC	
O=c1[nH]c(CBr)nc2ccsc12	88107923	PPFBTQZZWNQTCD-UHFFFAOYSA-N	245.101	1.880	50	30	BDGC	
O=C(Cl)c1cccc(S(=O)(=O)O)c1	6092527	WRHCKIKUFJDDPK-UHFFFAOYSA-N	220.633	1.312	50	30	BDGC	
O=S1(=O)NC(CCl)=Nc2cccc(F)c21	725343512	YUQSYGXEDMUETQ-UHFFFAOYSA-N	248.666	1.386	50	30	BDGC	
CCOC(=O)[C@](C)(C#N)CBr	36420985	CDRLYUCCAVRYIP-ZETCQYMHSA-N	220.066	1.474	50	30	BDGC	
O=C1CC2(Cc3ccccc3C2)C(=O)O1	100616014	YIOLUCBGADNSND-UHFFFAOYSA-N	202.209	1.245	50	30	BDGC	
COC[C@@]1(CBr)C[C@@H]2O[C@@H]2C1	1554770562	WYYNFXOJJIMARH-RNLVFQAGSA-N	221.094	1.575	50	30	BDGC	
O[C@H]1c2ccccc2OC[C@@H]1Br	39202076	IRKFPBGYQHADRB-CBAPKCEASA-N	229.073	1.876	50	30	BDGC	
Cn1cccc1C(=O)N/N=C/c1ccccn1	142311	NEFMZINAAGLXGR-NTEUORMPSA-N	228.255	1.184	50	30	BDGC	
O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)O1	100388485	PZEKHTMDKRBNKY-SNVBAGLBSA-N	230.223	1.345	50	30	BDGC	
O=C1C[C@@]2(CC(F)(F)C2(F)F)C(=O)O1	675050618	DGRHRKDBGRTCKG-RXMQYKEDSA-N	212.098	1.121	50	30	BDGC	
CCOC(=O)COc1ccccc1[C@H](O)C#N	95742935	KECNKCUOWJNUPH-SNVBAGLBSA-N	235.239	1.185	50	30	BDGC	
O=C(O)c1cc(CBr)ncn1	90627606	LMONDLCFUQIOME-UHFFFAOYSA-N	217.022	1.070	50	30	BDGC	
O=C1CC[C@H](CBr)CCN1	238852677	HANGYXDLVWARHQ-LURJTMIESA-N	206.083	1.298	50	30	BDGC	
COc1cc(CCl)ccc1S(C)(=O)=O	62152038	SIXAKSBTOCXCSL-UHFFFAOYSA-N	234.704	1.838	50	30	BDGC	in-vitro
O=[N+]([O-])c1cnn(CCBr)c1	19810704	LCLHGYUIDJUMAP-UHFFFAOYSA-N	220.026	1.186	50	30	BDGC	in-vitro
C[C@H]1CO[Si](C)(C)O[C@H](C)CO[C@H](C)CO1	196400595	GHXLVBXHSVWTGW-OUAUKWLOSA-N	248.395	1.934	50	30	BDGC	
COCC1(CBr)C[C@H]2O[C@@H]2C1	1554770561	WYYNFXOJJIMARH-RNFRBKRXSA-N	221.094	1.575	50	30	BDGC	
O=C(CCCl)c1ccc(O)cc1O	36448602	XGKGPMSVQJJUEQ-UHFFFAOYSA-N	200.621	1.909	50	30	BDGC	
[C-]#[N+][C@@H](CCC[C@@H]([N+]#[C-])C(=O)OC)C(=O)OC	95698186	CUTSLEUZXNSJCB-DTORHVGOSA-N	238.243	1.078	50	30	BDGC	
CS(=O)(=O)Nc1ccc(CCl)cc1	34956924	BLURUCQOSCUCGV-UHFFFAOYSA-N	219.693	1.797	50	30	BDGC	in-vitro
O=C(CBr)[C@H]1C[C@H]2CC[C@H]1O2	307553645	LJHQTIFRHXOYMS-ATRFCDNQSA-N	219.078	1.518	50	30	BDGC	
N#Cc1ccc(C(=O)CBr)nc1	87224642	HFOHOCBHHSSGTF-UHFFFAOYSA-N	225.045	1.531	50	30	BDGC	
C=C[Si](C)(OCCOC)OCCOC	195762417	INWVHJGPNCHXOO-UHFFFAOYSA-N	220.341	1.110	50	30	BDGC	
CC(C)(C)OC(=O)N1CC(N=C=S)C1	202443632	ITPMUEVNYTUBJH-UHFFFAOYSA-N	214.290	1.709	50	30	BDGC	
COC(=O)CC[C@@H](O[Si](C)(C)C)C(=O)OC	195809599	HDZRXELXNZUIKT-MRVPVSSYSA-N	248.351	1.333	50	30	BDGC	
O=C(NCCCl)Oc1ccc([N+](=O)[O-])cc1	6093320	LSKLVHGCJMNGAU-UHFFFAOYSA-N	244.634	1.922	50	30	BDGC	
COC(=O)/C(C#N)=C1/C(=O)Nc2ccccc21	75371	JGRPHENITJTVGB-CSKARUKUSA-N	228.207	1.089	50	30	BDGC	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCSC1	20421221	VSPJQAMBRMNWGY-BNICOGTQSA-N	226.301	1.052	50	30	BDGC	
O=C(c1ccccc1)[C@H](O)Br	39055661	VPKKKVKUOKACNC-QMMMGPOBSA-N	215.046	1.583	50	30	BDGC	
O=C(O)[C@]12CCC[C@H]1[C@@H]2Br	521399757	IKJBNGOPENCBPI-KZLJYQGOSA-N	205.051	1.635	50	30	BDGC	
CCN1C[C@@H](CBr)OC1=O	82377459	FUSFAKOTEDNVCI-RXMQYKEDSA-N	208.055	1.222	50	30	BDGC	
O=C(CCCl)NC(=O)NCC(F)(F)F	36904850	HMNPBLSASAHPBK-UHFFFAOYSA-N	232.589	1.003	50	30	BDGC	
CC(C)(C)OC(=O)N1CC[C@@H](N=C=O)C1	114914577	OCXPTMDEHRWZTF-MRVPVSSYSA-N	212.249	1.332	50	30	BDGC	
CC(C)(C)OC(=O)NCCOCCCl	96300713	CQKNBFSGUYYDSR-UHFFFAOYSA-N	223.700	1.767	50	30	BDGC	in-vitro
Cc1cc(Cl)ccc1[C@@]1(C(N)=O)O[C@H]1Cl	6070149	WMYXMCBISNXBSE-PSASIEDQSA-N	246.093	1.924	50	30	BDGC	
C=C1C[C@@H](CI)OC1=O	2265385511	DATMEPVMKCXILS-YFKPBYRVSA-N	238.024	1.293	50	30	BDGC	
CSc1ccc(/C=N/NC(N)=O)s1	109228	OSQIUTIIBVVDII-RUDMXATFSA-N	215.303	1.472	50	30	BDGC	
Cc1nc(-c2cccnc2)sc1C(=O)NN	120784	CSUBEQCOVGQREL-UHFFFAOYSA-N	234.284	1.117	50	30	BDGC	
BrCc1cccc(-c2nnn[nH]2)c1	95220489	JGPNPRHDYCYMSM-UHFFFAOYSA-N	239.076	1.762	50	30	BDGC	
CC(C)N1CCC[C@@H](Br)C1=O	70060805	RMFDATHXIXMZDO-SSDOTTSWSA-N	220.110	1.781	50	30	BDGC	in-vitro
COC(=O)c1ncc(CCl)cc1F	238358783	KVLCNEGWNNJTID-UHFFFAOYSA-N	203.600	1.746	50	30	BDGC	
O=C(NCCCl)c1ccc([N+](=O)[O-])cc1	1681180	ZSSIFUDFKRJWMF-UHFFFAOYSA-N	228.635	1.563	50	30	BDGC	
[BH3-][P@@+](C)(c1ccccc1)c1ccccc1OC	299803301	HIDLDBSRFJHYJI-KRWDZBQOSA-N	244.083	1.574	50	30	BDGC	
O=C1C[C@@]2(CCCc3ccccc32)C(=O)O1	100482528	DVWPADJMQGZCAA-CYBMUJFWSA-N	216.236	1.734	50	30	BDGC	in-vitro
COc1cc(O)c(C(=O)CCl)cc1OC	139669584	IIGJZFQHDYSLMU-UHFFFAOYSA-N	230.647	1.831	50	30	BDGC	
BrC[C@@H]1CC2(CCOCC2)CO1	536957558	HRBUSNKZOLNKRE-QMMMGPOBSA-N	235.121	1.967	50	30	BDGC	
CN1CC[C@H](CBr)CC1=O	253183048	KEXHIZDSFYODQY-LURJTMIESA-N	206.083	1.250	50	30	BDGC	in-vitro
O=C(Cl)N1CC(OCC(F)(F)F)C1	725667994	DLPHGCMZIVSISG-UHFFFAOYSA-N	217.574	1.608	50	30	BDGC	
O=C(Oc1ccc([N+](=O)[O-])cc1)OC1COC1	115218749	UKTIQWPDFBYXTR-UHFFFAOYSA-N	239.183	1.509	50	30	BDGC	
Br[C@@H]1CNC[C@H]1Br	139646928	YMBRIWSAYYALKH-QWWZWVQMSA-N	228.915	1.117	50	30	BDGC	
COC(=O)c1ccc2nc(CCl)cn2c1	228982580	NPNVVZJBOWPTMJ-UHFFFAOYSA-N	224.647	1.860	50	30	BDGC	
O=C1O[C@H](CBr)CN1C1CC1	82366024	TVJVXHIYPVCLCQ-ZCFIWIBFSA-N	220.066	1.365	50	30	BDGC	
COC(=O)c1cc(CCl)cc(C(=O)OC)c1	54965083	IYYKJOHNIKKVAI-UHFFFAOYSA-N	242.658	1.999	50	30	BDGC	
COc1ccc(O)c(C=C(C#N)C#N)c1	39090667	QWCKPWINAFYBFR-UHFFFAOYSA-N	200.197	1.831	50	30	BDGC	
C[Si](C)(C)OC(=O)CN(C=O)[Si](C)(C)C	195806504	FZJBNQXSQYLEGI-UHFFFAOYSA-N	247.443	1.658	50	30	BDGC	
CC(C)[C@@H]1COC(=O)N1C(=O)CCl	196217568	BMIPCCMPWHPOGN-LURJTMIESA-N	205.641	1.229	50	30	BDGC	
CC1(C)C[C@@]1(N)C(=O)O[Si](C)(C)C	195957627	DCNZAWWDMXMSIM-SECBINFHSA-N	201.342	1.492	50	30	BDGC	
CC(C)(C)CNC(=O)N(CCCl)N=O	4217260	UOAFGUOASVSLPK-UHFFFAOYSA-N	221.688	1.964	50	30	BDGC	in-man
CO[C@H](CBr)[C@@H]1CCCOC1	950757531	QDIDCLJDIVXTLZ-HTQZYQBOSA-N	223.110	1.823	50	30	BDGC	
CCOC(=O)/C(C#N)=C/NCCc1ccncc1	20412995	QPWNIKQAIPSFCS-ZRDIBKRKSA-N	245.282	1.184	50	30	BDGC	
CN(C)C=NC(=O)C(C#N)=Cc1ccccc1	2265276346	YUZSKQGHJIYDRW-UHFFFAOYSA-N	227.267	1.710	50	30	BDGC	
COC(=O)[C@H]1[C@H](C(=O)CCl)C1(C)C	39055377	LAIZJMBDBAKCOZ-NKWVEPMBSA-N	204.653	1.240	50	30	BDGC	
CCO/C=C(\C#N)S(=O)(=O)Cc1ccco1	2159679	WPBXFPAFTLIVST-JXMROGBWSA-N	241.268	1.596	50	30	BDGC	
NC(=O)c1ccccc1OCCBr	3638919	ZKCNSDNDFKYRTA-UHFFFAOYSA-N	244.088	1.559	50	30	BDGC	
CO[C@@H](CBr)[C@@H]1CCOC1	390822061	YUIMNEHZPGSOKA-RQJHMYQMSA-N	209.083	1.433	50	30	BDGC	
CC(C)CC(=O)NCC(=O)O[Si](C)(C)C	195781989	LGRAJBIRLFSLRM-UHFFFAOYSA-N	231.368	1.527	50	30	BDGC	
Cc1cc(OC2CCCCC2)ccc1B(O)O	216042713	NNSZBGWIPDCZPI-UHFFFAOYSA-N	234.104	1.386	50	30	BDGC	
NNC(=O)OC12CC3CC(CC(C3)C1)C2	79767	DHUGIHVPMPUMML-UHFFFAOYSA-N	210.277	1.555	50	30	BDGC	
COC(=O)[C@H]1CCCC[C@H]1C(=O)Cl	39057253	OIJFGMIBHPAXAF-RQJHMYQMSA-N	204.653	1.731	50	30	BDGC	
ICCCN1CCCC1	33068353	GSLHHGGUIUTHKV-UHFFFAOYSA-N	239.100	1.907	50	30	BDGC	
[C-]#[N+][C@@H](CCC[C@H]([N+]#[C-])C(=O)OC)C(=O)OC	95698187	CUTSLEUZXNSJCB-IUCAKERBSA-N	238.243	1.078	50	30	BDGC	
COC(=O)[C@H](Br)C1(OC)CCC1	238855173	QRPFVNKRLHTTHC-LURJTMIESA-N	237.093	1.492	50	30	BDGC	
O=C(Cl)[C@H]1CCOc2ccccc2O1	39057526	OQHRZROPXOWOCD-SECBINFHSA-N	212.632	1.982	50	30	BDGC	
N#CC(C#N)=CNNc1ncnc2sccc12	116044	IVJPUPVWKVIJPC-UHFFFAOYSA-N	242.267	1.539	50	30	BDGC	
COC(=O)/C(C#N)=C(\OC)c1ccccc1	38252259	PHIQQDNHUZKQIQ-KHPPLWFESA-N	217.224	1.741	50	30	BDGC	
COC(=O)c1nc(C)cnc1CBr	95642722	BEXDYHRDNLPFPD-UHFFFAOYSA-N	245.076	1.467	50	30	BDGC	
C[C@]1(C(=O)CBr)CC1(F)F	34347238	BZRNEASAKFDGKW-RXMQYKEDSA-N	213.021	1.996	50	30	BDGC	in-vitro
CCO[Si](OCC)(OCC)[C@H](C)C#N	195766702	DXYXZPDAEJYSJL-SECBINFHSA-N	217.341	1.948	50	30	BDGC	
Cn1nc(CBr)cc1C#N	145000797	ISPAPOQUDBVSKH-UHFFFAOYSA-N	200.039	1.187	50	30	BDGC	
C[C@@H]1OC(=O)C[C@@H]1I	5752312	FTDKROIGAJDVCT-IMJSIDKUSA-N	226.013	1.125	50	30	BDGC	
COc1cc(OC)c(NC(=O)NN)cc1Cl	36948065	HYWDHARWAGGXGX-UHFFFAOYSA-N	245.666	1.352	50	30	BDGC	
CO[C@@H](CBr)[C@H]1CCCOC1	950757534	QDIDCLJDIVXTLZ-YUMQZZPRSA-N	223.110	1.823	50	30	BDGC	
CC(C)N1CCC[C@H](Br)C1=O	70060804	RMFDATHXIXMZDO-ZETCQYMHSA-N	220.110	1.781	50	30	BDGC	in-vitro
CN(CC(=O)CCl)C(=O)OC(C)(C)C	133645496	AHJXMPBSMCKMJD-UHFFFAOYSA-N	221.684	1.661	50	30	BDGC	
O=[N+]([O-])c1ccc(OCCCCl)nc1	144722277	FYUMUEHHXPTSOJ-UHFFFAOYSA-N	216.624	1.998	50	30	BDGC	
BrC[C@H]1CC(C2CC2)=NO1	714297615	JVNGVEPLBDGMOA-ZCFIWIBFSA-N	204.067	1.936	50	30	BDGC	
ClCc1nnnn1Cc1cccs1	54743977	SWXHRLZTLGGYPT-UHFFFAOYSA-N	214.681	1.522	50	30	BDGC	
CC1=C(C#N)[C@@H](c2ccccc2)NC(=O)N1	163196	GWHSEBBRMCQXQW-LLVKDONJSA-N	213.240	1.838	50	30	BDGC	
ICCC[C@H]1CO1	141839343	CDTNXHPTAOCBTR-YFKPBYRVSA-N	212.030	1.600	50	30	BDGC	
O=C(Cl)[C@H](c1ccccc1)S(=O)(=O)O	39401678	PIMQVFSTMNWDMJ-ZETCQYMHSA-N	234.660	1.381	50	30	BDGC	
C=C(C)[C@H]1CC=C(C)/C(=N\NC(N)=O)C1	32206434	ROYUYJQRQPJMFE-FWSONLODSA-N	207.277	1.943	50	30	BDGC	
ClCc1nccc(Br)n1	238524954	YLHWIXBDANNLFD-UHFFFAOYSA-N	207.458	1.978	50	30	BDGC	
CC(=O)C(Br)Br	45331738	ZABBFAHZPHMIJC-UHFFFAOYSA-N	215.872	1.691	50	30	BDGC	endogenous,in-man
CC(=O)Nc1ccc(OC(=O)CCl)cc1	5519279	XUUVNQDYDVGMBF-UHFFFAOYSA-N	227.647	1.789	50	30	BDGC	
CC(=O)n1cnc2cc3c(cc21)C(=O)OC3=O	100034272	SQTLPYOAMHSROZ-UHFFFAOYSA-N	230.179	1.007	50	30	BDGC	
BrC[C@@H]1CC[C@]2(CCOC2)O1	306430188	QKAURQGZXCJRCG-JGVFFNPUSA-N	221.094	1.719	50	30	BDGC	
COC(=O)NN=C(C)c1cccc(OC)c1	254875799	KPPVRCASIIAAIH-UHFFFAOYSA-N	222.244	1.775	50	30	BDGC	
CCO[Si](OCC)(OCC)[C@@H](C)C#N	195766701	DXYXZPDAEJYSJL-VIFPVBQESA-N	217.341	1.948	50	30	BDGC	
COC(=O)OCI	39282798	JKYRBGSRNKUKPW-UHFFFAOYSA-N	215.974	1.162	50	30	BDGC	
ClCc1cccc(N2CCOCC2)n1	51042070	VRKYPIKWYDXMAL-UHFFFAOYSA-N	212.680	1.657	50	30	BDGC	
CCOC(=O)c1cc(N)cc(CCl)n1	1775937642	HQWGIAKLCKBMQN-UHFFFAOYSA-N	214.652	1.579	50	30	BDGC	
O=Cc1cc(C(=O)Cl)cnc1Cl	39057244	FHYQNGMWSXJRKA-UHFFFAOYSA-N	204.012	1.927	50	30	BDGC	
CC(C)(O)CCI	86237504	ZHQRDZIRSPGMID-UHFFFAOYSA-N	214.046	1.582	50	30	BDGC	in-vitro
O=C1Cc2ccc(Br)cc2C(=O)O1	100494228	WANGWCBXVJULNK-UHFFFAOYSA-N	241.040	1.689	50	30	BDGC