smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#CSc1cc2c(cc1[N+](=O)[O-])OCCO2	4070987	KWLZZELVUZLSPG-UHFFFAOYSA-N	238.224	1.939	50	50	BDGA	
Nc1ccccc1SC[C@@H](O)CCl	96027606	QTXVBXZQPMYMEJ-ZETCQYMHSA-N	217.721	1.961	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H]1CCc2n[nH]cc2C1	1875363847	BNUSORQLBLHBJU-POYBYMJQSA-N	227.695	1.011	50	50	BDGA	
NNC(=O)c1ccc2ccccc2c1O	1600278	VNMGHGFBIFFSSU-UHFFFAOYSA-N	202.213	1.149	50	50	BDGA	in-vitro
O=C(NC[C@H]1CCCCS1)[C@H](F)Cl	2325897969	OEOXXEGRSCETTP-RQJHMYQMSA-N	225.716	1.923	50	50	BDGA	
Cc1c(N=C=O)cc(N=C=O)cc1N=C=O	100485321	PFUKECZPRROVOD-UHFFFAOYSA-N	215.168	1.897	50	50	BDGA	
CCO[Si](CCCNC)(OCC)OCC	169808783	DTPZJXALAREFEY-UHFFFAOYSA-N	235.400	1.644	50	50	BDGA	
COCc1[nH]nc2c1[C@H](C(C)C)C(C#N)=C(N)O2	377507	YTNNVRNBSHIBJK-SECBINFHSA-N	248.286	1.382	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H]1CCCOCC1	306579793	XTVWUPGIDGCUPW-JGVFFNPUSA-N	205.685	1.299	50	50	BDGA	
O=C(CCl)Nc1ccc(Cl)cn1	4776408	FWIPEIVJWOOWGO-UHFFFAOYSA-N	205.044	1.912	50	50	BDGA	in-vitro
O=C1C[C@@H](c2cccc(Cl)c2)C(=O)O1	100648337	WEHGLYOSXAHMHX-QMMMGPOBSA-N	210.616	1.897	50	50	BDGA	
COC[C@@H]1C=CCCN1C(=O)CCl	1875378925	ITZIODWWMGPYTL-QMMMGPOBSA-N	203.669	1.029	50	50	BDGA	
Cc1ccc(NC(=O)CCC(=O)NN)cc1C	143460	YPSXOODVLYPIJL-UHFFFAOYSA-N	235.287	1.012	50	50	BDGA	
NS(=O)(=O)c1ccc(N=C=S)cc1	2571868	IMDUFDNFSJWYQT-UHFFFAOYSA-N	214.271	1.068	50	50	BDGA	in-vivo
CCC1([C@H](C)Br)OCCO1	44831765	RXEWQZORLAAPAP-LURJTMIESA-N	209.083	1.923	50	50	BDGA	
BrCC1CC2(C1)OCCO2	95644284	MKHPFTGDMWUGRW-UHFFFAOYSA-N	207.067	1.534	50	50	BDGA	in-vitro
FC(F)(F)c1nc(CBr)no1	96032263	YVPVZXKCPVFONX-UHFFFAOYSA-N	230.971	1.983	50	50	BDGA	in-vitro
O=C(Cc1ccccc1)N/N=C1\CCCCCN1	5773184	LYRFFJJUHKEOCB-UHFFFAOYSA-N	245.326	1.822	50	50	BDGA	
C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	188444	JDTMDJFBCTYRPL-SSDOTTSWSA-N	232.283	1.990	50	50	BDGA	
O=C(N/N=C/c1ccncc1)c1ccccc1F	135053	FIERKBWAWOAVQH-CXUHLZMHSA-N	243.241	1.985	50	50	BDGA	
NC(=O)N/N=C1\C[C@H]2O[C@H]1c1ccccc12	102318600	BHDFLYLGAQQQKR-OANFAPKHSA-N	217.228	1.227	50	50	BDGA	
O=S(=O)(CCl)N1CCc2ccccc21	45069016	YDUNIGGCCAFMHC-UHFFFAOYSA-N	231.704	1.575	50	50	BDGA	
C=C(C)C(=O)OCCO[Si](C)(C)C	169746930	WUGOQZFPNUYUOO-UHFFFAOYSA-N	202.326	1.957	50	50	BDGA	in-vitro
COc1ccc(/C=C(\C#N)[N+](=O)[O-])cc1	295777	CZGPSRDFMBUSPK-RMKNXTFCSA-N	204.185	1.836	50	50	BDGA	
O=C(CCl)N[C@@H]1CCn2cccc2C1	1875376859	LEOJIRQZBGRTGO-MRVPVSSYSA-N	212.680	1.158	50	50	BDGA	
Cc1nnsc1[C@H](C)NC(=O)[C@H](F)Cl	2325898698	VJSVCEHWQGOWSG-DZSWIPIPSA-N	237.687	1.558	50	50	BDGA	
O=S(=O)(O)C1(CCl)CCCCC1	45069281	UBJNUXFWPUWGKE-UHFFFAOYSA-N	212.698	1.816	50	50	BDGA	
O=C(CCl)N[C@H]1CC[C@@](O)(C(F)(F)F)C1	1875375904	UIRPHVBGNXFOQQ-FSPLSTOPSA-N	245.628	1.187	50	50	BDGA	
COc1cncc(N(C)C(=O)[C@H](C)Cl)c1	1875367618	WAWLBRAUHYTGSN-ZETCQYMHSA-N	228.679	1.680	50	50	BDGA	
O=C(NNc1cnccn1)c1ccccc1	114880539	QXWBXDAYESGVET-UHFFFAOYSA-N	214.228	1.234	50	50	BDGA	
NNC(=O)CCc1ccc(Br)cc1	121198054	MGFHUTWMNUQVKV-UHFFFAOYSA-N	243.104	1.372	50	50	BDGA	
COc1ccc(O)c(C(=O)CCl)c1	71455042	XDJYHQZFRFJSSV-UHFFFAOYSA-N	200.621	1.822	50	50	BDGA	
OB(O)c1c(Cl)cc(Cl)cc1Cl	169745344	JWWBOINZBOIAHR-UHFFFAOYSA-N	225.267	1.327	50	50	BDGA	in-vitro
O=C(N/N=C/c1ccncc1)c1ccc(O)cc1	231677	SWQLMXYLIIQWGS-OQLLNIDSSA-N	241.250	1.551	50	50	BDGA	
Cc1ccnc(NC(=O)CBr)c1	5659848	UXHQUFQQZJDQGT-UHFFFAOYSA-N	229.077	1.723	50	50	BDGA	
C[C@H](Cl)C(=O)Nc1ccc2nncn2c1	1875368335	JLKURRONMPVGFM-LURJTMIESA-N	224.651	1.295	50	50	BDGA	
O=C(CCBr)N1CCCCC1	5630998	QLCFKORONJMTNL-UHFFFAOYSA-N	220.110	1.784	50	50	BDGA	in-vitro
CC(C)(C)OC(=O)N/N=C1\CCOC1	169620357	ALEJVMJLMPXMQV-JXMROGBWSA-N	200.238	1.287	50	50	BDGA	
CCCCOC(=O)/C(C#N)=C\c1ccc(N)nc1	821031234	GSUPQNDHRZCWKE-XFFZJAGNSA-N	245.282	1.914	50	50	BDGA	
NC(=O)[C@@H](Cl)Cc1ccc([N+](=O)[O-])cc1	3123686	LISKVOKVUFFOOW-QMMMGPOBSA-N	228.635	1.230	50	50	BDGA	
Cc1nnsc1CNC(=O)[C@H](C)Cl	307315953	MYTGXFMDBCZFPF-BYPYZUCNSA-N	219.697	1.090	50	50	BDGA	
Cc1cccc(O[C@H](C)C(=O)NN)c1C	2568672	WQFXBBZYJNZLJS-SECBINFHSA-N	208.261	1.061	50	50	BDGA	in-vitro
C=CC(=O)NC[C@]1(C)C[C@H]1Br	952879983	BAEUTZJGLOBMRT-SVRRBLITSA-N	218.094	1.462	50	50	BDGA	
CC[C@@H](Br)C(=O)N1CCCC1	32919622	WWXPVFHKDNSIJF-SSDOTTSWSA-N	220.110	1.782	50	50	BDGA	in-vitro
O=C(NN=C1CCCC1)c1[nH]nc2c1CCCC2	13544342	LYWBRJBDEPWFAP-UHFFFAOYSA-N	246.314	1.948	50	50	BDGA	
CC(C)(C)OC(=O)[C@@H]1C[C@H]1C(=O)CCl	1857781622	MTGUJCHUQNNTOC-RNFRBKRXSA-N	218.680	1.772	50	50	BDGA	
O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2CCCC1	101017979	URCPRWSOPFAFOE-KYXWUPHJSA-N	206.241	1.678	50	50	BDGA	
C[C@@H](SCc1ccccc1)C(=O)NN	20312078	AYTXTIFXKYOPFC-MRVPVSSYSA-N	210.302	1.298	50	50	BDGA	
CN(CC1CC1)C(=O)CBr	82164618	AZUFNEWLMKNWEB-UHFFFAOYSA-N	206.083	1.250	50	50	BDGA	in-vitro
Cc1cc(B(O)O)ccc1OCc1ccccc1	169745085	QPXFEWQLALNXEZ-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	in-vitro
CCOC(=O)C(F)(F)CBr	34203419	PLIFTLNQZPFIPS-UHFFFAOYSA-N	217.009	1.580	50	50	BDGA	
C[Si](C)(CCN)O[Si](C)(C)CCN	195758707	PXXUHFVEJQHLSK-UHFFFAOYSA-N	220.465	1.331	50	50	BDGA	
Cc1nscc1N(C)C(=O)[C@H](F)Cl	2325898125	TWSORDGPTYNPJD-LURJTMIESA-N	222.672	1.949	50	50	BDGA	
Cc1cccc(/N=c2/nc(N)nc(CCl)[nH]2)c1	18120671	RRFIGUHVIZZXQT-UHFFFAOYSA-N	249.705	1.667	50	50	BDGA	
O=C1OC(=O)[C@@]2(c3ccccc3)CC=CC[C@@H]12	101140085	OFWIZCWHBRZEKV-SMDDNHRTSA-N	228.247	1.974	50	50	BDGA	
Cc1c(N=C=O)nnn1Cc1ccccc1	16124773	MAWFWGAPDVSDSP-UHFFFAOYSA-N	214.228	1.602	50	50	BDGA	in-vitro
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCl	167056130	MVUAMEQSMWWVQY-ZCFIWIBFSA-N	237.683	1.639	50	50	BDGA	
CCOC(=O)/C(C#N)=C/c1ccncc1	71324	XLQQQEHSYHZOLQ-JXMROGBWSA-N	202.213	1.552	50	50	BDGA	in-vitro
CC(=O)Nc1ccc(NC(=O)CCl)cc1	43841	UMOGUGDPRBDPOU-UHFFFAOYSA-N	226.663	1.822	50	50	BDGA	
O=C(CCl)N=c1cc(-c2cccnc2)[nH][nH]1	1875368951	KGOQGJRUHCXXRN-UHFFFAOYSA-N	236.662	1.071	50	50	BDGA	
CC(C)Oc1c(Cl)cc(B(O)O)cc1Cl	169747884	OTEROWRZDFNANP-UHFFFAOYSA-N	248.902	1.460	50	50	BDGA	in-vitro
O=C(O)C(F)(F)[C@H](F)Br	15443446	PPQMRWFTOFYPQO-SFOWXEAESA-N	206.945	1.397	50	50	BDGA	
CCCOc1ccc(B(O)O)cc1C(F)(F)F	169955502	WXJILKLCSIMQCB-UHFFFAOYSA-N	248.009	1.174	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)NCC1(CO)CC2(CCC2)C1	1875377905	QUHCHSPSOPYQCY-VIFPVBQESA-N	245.750	1.673	50	50	BDGA	
Cc1ccc(O)c(/C=N/NC(=O)c2ccn[nH]2)c1	369248	YVNPYBVQKKKHAE-VGOFMYFVSA-N	244.254	1.188	50	50	BDGA	
C[C@H](Cl)C(=O)NC1(C2CC2)CCOCC1	1875377213	AUMIGPDJCNAWNZ-QMMMGPOBSA-N	231.723	1.689	50	50	BDGA	
BrC[C@@H]1CN2C=CC=CC2=N1	100952077	IVDGEHGGFHKCAF-SSDOTTSWSA-N	213.078	1.548	50	50	BDGA	
NNC(=O)c1cc2c(s1)CCCCC2	3885861	APDQSPXWVVODJE-UHFFFAOYSA-N	210.302	1.621	50	50	BDGA	in-vitro
O=C1CCCN1CCI	137190007	WPRIGVXXWBHYKT-UHFFFAOYSA-N	239.056	1.044	50	50	BDGA	
O=C(Cl)[C@@H]1[C@@H](C(=O)Cl)[C@H]2C=C[C@H]1C2	226393882	KANQIAARVSWKKG-AXMZGBSTSA-N	219.067	1.956	50	50	BDGA	
N#CC(C#N)=C(N)[C@@]1(C#N)O[C@@H]1c1ccccc1	230615315	NFOPYTRBLBDSEC-CHWSQXEVSA-N	236.234	1.280	50	50	BDGA	
NC(=O)N/N=C/c1ccc(-c2ccccc2)o1	134239	OEXTZFFHFSVLLY-RIYZIHGNSA-N	229.239	1.949	50	50	BDGA	
COC(=O)NNC(=O)Cc1ccc(Cl)cc1	14001858	OCIVYMOWBSCHID-UHFFFAOYSA-N	242.662	1.270	50	50	BDGA	
COc1cccc(/C(C)=N/NC(=O)C2CC2)c1	4579659	YRRLXOFMMCGXMV-NTEUORMPSA-N	232.283	1.945	50	50	BDGA	
N#CSCC(=O)c1ccc([N+](=O)[O-])cc1	2381406	YDZIDXSUWKPPNJ-UHFFFAOYSA-N	222.225	1.992	50	50	BDGA	
O=C1OC(=O)[C@@]2(Br)[C@H]3C=C[C@@H](C3)[C@H]12	254736098	CLTOWDKISUFHLB-OLNRIVSGSA-N	243.056	1.026	50	50	BDGA	
Nc1cc2c(cc1C(=O)CCl)OCCO2	22010869	XIVQDDQILMFQIK-UHFFFAOYSA-N	227.647	1.462	50	50	BDGA	in-vitro
Cc1cccc(NC(=O)NN(C)C)c1C	2172079	VGBONCYXCCUEJQ-UHFFFAOYSA-N	207.277	1.902	50	50	BDGA	
C=CCNC(=S)NNC(=O)c1cccs1	2180953	DWAQZBVAVLMEHU-UHFFFAOYSA-N	241.341	1.043	50	50	BDGA	
O=C(CBr)c1ccncn1	35838112	KBVSDEQMMMFWIH-UHFFFAOYSA-N	201.023	1.054	50	50	BDGA	
C[C@@H]1C[C@@](C)(NC(=O)[C@@H](C)Cl)CCO1	1875376391	VLFCWLVJPLGIQG-MRTMQBJTSA-N	219.712	1.688	50	50	BDGA	
OB(O)c1ccc(C(F)(F)F)c(Cl)c1	169745129	OCHKTAGGJMWISO-UHFFFAOYSA-N	224.374	1.039	50	50	BDGA	in-vitro
CCCCOc1cc(Cl)cc(B(O)O)c1	169933964	SQCIQINFZZBGET-UHFFFAOYSA-N	228.484	1.199	50	50	BDGA	in-vitro
COc1ccccc1/C=C(\C#N)C(N)=O	12368672	KBGJTYDNFFSISF-RMKNXTFCSA-N	202.213	1.087	50	50	BDGA	
COC(=O)N/N=C(\C)c1ccc(F)cc1	5282492	DOBPWBBOOGXDDW-KPKJPENVSA-N	210.208	1.906	50	50	BDGA	
Cc1nc(NC(=O)CCl)sc1C	372409	BYIWUVZIBZLZOQ-UHFFFAOYSA-N	204.682	1.937	50	50	BDGA	in-vitro
CC(=O)Nc1ccc(CNC(=O)CCl)cc1	236448	LKTHYGFQEGMNRP-UHFFFAOYSA-N	240.690	1.500	50	50	BDGA	in-vitro
COC(=O)c1ccc(NC(=O)CCl)cc1	123972	UMSMQBDWLGSKCP-UHFFFAOYSA-N	227.647	1.651	50	50	BDGA	in-vitro
O=C=Nc1ccc(N2CCOCC2=O)cc1	118376401	JRNZFWQRNLXFTR-UHFFFAOYSA-N	218.212	1.017	50	50	BDGA	
C[C@H](Cl)C(=O)Nc1ccccc1C(=O)O	40801944	MYHMNJBPZJOHGW-LURJTMIESA-N	227.647	1.951	50	50	BDGA	
CC(C)(C)[Si](C)(C)OCC[C@H](N)C(=O)O	196713561	BKFGDICOIJEWPX-QMMMGPOBSA-N	233.384	1.810	50	50	BDGA	
C[C@H]1NC(=O)N(C(C)(C)C)C(=O)[C@@H]1Cl	122365	CUHLYCUCQYKUPZ-PHDIDXHHSA-N	218.684	1.333	50	50	BDGA	
Cc1[nH]c2c(C(=O)NN)cccc2c1C	431537	FRSQFDGLGOOEBO-UHFFFAOYSA-N	203.245	1.388	50	50	BDGA	
NNC(=O)CSCc1ccc(F)cc1	6829088	VLWGHOWAAGUGFX-UHFFFAOYSA-N	214.265	1.049	50	50	BDGA	
CCCc1cc(C(=O)NN)c2ccccc2n1	1595117	PLOLKTPHQPOGKW-UHFFFAOYSA-N	229.283	1.791	50	50	BDGA	
CC[C@@H](NC(=O)CCl)c1cccc(OC)n1	1875379679	UJHFUZCVVQXQQC-MRVPVSSYSA-N	242.706	1.896	50	50	BDGA	
Cc1nc(CNC(=O)CCl)ccc1[C@H](C)O	1875374665	BYEYPHGYUBFOTA-QMMMGPOBSA-N	242.706	1.298	50	50	BDGA	
C[C@H](Cl)C(=O)N(C)CC[C@@H]1CCCCN1C	1875364076	HWOALUHDXUPLSL-QWRGUYRKSA-N	246.782	1.947	50	50	BDGA	
Cc1ccc(/C=N/NC(=O)c2cnccn2)s1	28609	KHBNCTYOWCJOFE-MKMNVTDBSA-N	246.295	1.610	50	50	BDGA	
COc1ccc(C2=C(C#N)C(=O)OC2)cc1	170480	HOOKJRWGDDCCDO-UHFFFAOYSA-N	215.208	1.529	50	50	BDGA	in-vitro
OB(O)c1ccc2[nH]c3ccccc3c2c1	169846391	WGUUKVJNVYAFFI-UHFFFAOYSA-N	211.029	1.001	50	50	BDGA	
NC(=S)NNC(=O)Nc1cccc(Cl)c1	8829806	GCSPSMSICVYIQP-UHFFFAOYSA-N	244.707	1.210	50	50	BDGA	
NNC(=O)/C=C/c1ccc(Cl)cc1Cl	6925728	WWOAAMJEUHUILM-DUXPYHPUSA-N	231.082	1.997	50	50	BDGA	
COC(=O)c1c(CCl)nn2c1CCC2	96511753	USJQOOQTQVTSKL-UHFFFAOYSA-N	214.652	1.355	50	50	BDGA	
CC(C)COC(=O)N(N)C1CCOCC1	757131457	KSAMADYTGLVBDT-UHFFFAOYSA-N	216.281	1.134	50	50	BDGA	
OB(O)c1c(F)cccc1OCc1ccccc1	169745499	NBRVDQVRGXXXIE-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	in-vitro
CC(C)n1ccc2c(C(=O)NN)cccc21	1857533545	NIWMSFORRRSTAJ-UHFFFAOYSA-N	217.272	1.826	50	50	BDGA	
CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)O	3163861	GLNHSJMDXOHYPL-UHFFFAOYSA-N	225.156	1.218	50	50	BDGA	
OB(O)Cc1cc(Cl)ccc1Cl	169986224	QVVGJPCEOGYZFU-UHFFFAOYSA-N	204.849	1.548	50	50	BDGA	
Cc1ccnc([C@@H](NC(=O)CCl)C2CC2)n1	1875377668	KNOQJNSBKKTFND-JTQLQIEISA-N	239.706	1.591	50	50	BDGA	
CN(c1ccccc1)c1nc(N)nc(CCl)n1	1441469	RWVCNFFTPYJGEO-UHFFFAOYSA-N	249.705	1.961	50	50	BDGA	
C[C@H](Cl)C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C	306334266	UFRFYJMRURNXIN-XLPZGREQSA-N	201.697	1.728	50	50	BDGA	
C[C@@H](Br)[C@@H](Br)C(=O)O	1693333	HESQKTULJLBDRF-PWNYCUMCSA-N	245.898	1.618	50	50	BDGA	biogenic
NNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1	374080	LDRVFHXEVGRIBM-RKDXNWHRSA-N	210.664	1.433	50	50	BDGA	
COC(=O)/C(C#N)=C/c1ccc(F)cc1	99954	CBZGEXCAQXBPFY-RMKNXTFCSA-N	205.188	1.906	50	50	BDGA	
C[C@@]1(Cl)CS(=O)(=O)C[C@H]1Cl	4566293	KFEUDNGJWWGRTJ-RFZPGFLSSA-N	203.090	1.020	50	50	BDGA	
CCc1cccc(C)c1NC(=O)CCC(=O)NN	408311	UHIPYRMNYRVKJU-UHFFFAOYSA-N	249.314	1.266	50	50	BDGA	
CC(=O)NN=C1CCN(Cc2ccccc2)CC1	55031607	ZVRHCAABQXSFHS-UHFFFAOYSA-N	245.326	1.775	50	50	BDGA	
OB(O)c1ccccc1Oc1cccc(F)c1	170002498	MXVIOTHEMHPDFM-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	
CC(C)(C)[Si](C)(C)O[C@@H]1CNC(=O)C1	170002937	BEVGOGJIDJYUNN-QMMMGPOBSA-N	215.369	1.897	50	50	BDGA	in-vitro
OB(O)Cc1cccc(C(F)(F)F)c1	169965547	PKPAVUHCLJYRNZ-UHFFFAOYSA-N	203.956	1.260	50	50	BDGA	in-vitro
CC(C)(N)C(=O)NC[C@]1(C)C[C@H]1Br	1118754431	LAFWRMWYZJTWDZ-MUWHJKNJSA-N	249.152	1.013	50	50	BDGA	
O=C(N/N=C/c1cccnc1)c1ccncc1	40574	DERMXJNBYDETST-OQLLNIDSSA-N	226.239	1.241	50	50	BDGA	
CC1(C)CCc2ccc(CC(=O)NN)cc2O1	65336802	ASUHWVBRUYEVOC-UHFFFAOYSA-N	234.299	1.323	50	50	BDGA	
O=C1OC(=O)[C@]2(Br)[C@H]1[C@H]1C=C[C@H]2C1	216279961	CLTOWDKISUFHLB-WWSLTDMBSA-N	243.056	1.026	50	50	BDGA	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@H]1CC2(F)F	1875368610	FLXQMKXPUXCITR-QYNIQEEDSA-N	223.650	1.870	50	50	BDGA	
CC1(C)C[C@@H]2OCC[C@@H]2CN(C(=O)CCl)C1	1875369092	QDFWKONKXQWNDH-ZJUUUORDSA-N	245.750	1.889	50	50	BDGA	
O=c1[nH]nc(O)c2cc(N=C=S)ccc12	2556922	VRQLFLNVVWYSTJ-UHFFFAOYSA-N	219.225	1.363	50	50	BDGA	
COC(=O)c1cc(SC#N)c(N)cc1OC	2540790	IRGMWPMUTWZIIJ-UHFFFAOYSA-N	238.268	1.637	50	50	BDGA	in-vitro
O=C(N/N=C/c1ccccc1F)c1cnccn1	45368	LQJRLBMTDPCAMP-FRKPEAEDSA-N	244.229	1.380	50	50	BDGA	
CCOC(=O)N/N=C/c1ccc2c(c1)OCO2	171956	PEMUCTLZCTUQPL-WUXMJOGZSA-N	236.227	1.495	50	50	BDGA	
CC(C)(C)OC(=O)/C(C#N)=C1\CCCN1	19865091	ODUMAWMEWTYKQZ-CMDGGOBGSA-N	208.261	1.489	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	1875366801	CBBSDGBZTCQPTG-PELKAZGASA-N	248.713	1.769	50	50	BDGA	
CN1CCC[C@H](NC(=O)[C@@H](F)Cl)CC1	2325897812	JTHYQGIKGYYDKV-JGVFFNPUSA-N	222.691	1.121	50	50	BDGA	
Cc1nc(N)nc2c1C[C@H](CBr)O2	180503	ZYOFSORYWFMTTC-RXMQYKEDSA-N	244.092	1.066	50	50	BDGA	
Cc1cc(OC(C)(C)C(=O)NN)ccc1Cl	5724920	YQRISDDAQUTNKF-UHFFFAOYSA-N	242.706	1.796	50	50	BDGA	
CN(Cc1ccc(B(O)O)cc1)c1ccccc1	199013258	IAWVCARLELQRDX-UHFFFAOYSA-N	241.099	1.003	50	50	BDGA	
CC1=C(C)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)OC(=O)[C@H]43)[C@@H]12	101043907	BDIHXCWQHPNJAL-JKCCIXDMSA-N	230.263	1.700	50	50	BDGA	
N#CC1=CCC[C@H](OC(=O)C[C@@H]2COC(=O)C2)C1	888099757	WPCVUJLRFCOQSN-MNOVXSKESA-N	249.266	1.485	50	50	BDGA	
CC[C@@]1(c2ccccc2)CC(=O)OC1=O	59093716	YUNNVZMZILEIKY-LBPRGKRZSA-N	204.225	1.808	50	50	BDGA	
C[C@H](NC(=O)[C@@H](C)Cl)c1ccn(C)n1	1875378250	YDDHFCIDZHWGNC-RQJHMYQMSA-N	215.684	1.225	50	50	BDGA	
CC1(C)CC(=O)C(C#N)=C(NCCCO)C1	101425936	DDLIUKJAEGAKRI-UHFFFAOYSA-N	222.288	1.125	50	50	BDGA	
Cc1ccc(NC(=O)OC(=O)CC#N)cc1	101019054	MLEDKLOBDJXKBF-UHFFFAOYSA-N	218.212	1.984	50	50	BDGA	
COc1ccc(/C=C(\C#N)C(N)=S)cc1	12410455	NSDYZWFBGUGNTC-RMKNXTFCSA-N	218.281	1.888	50	50	BDGA	
Cc1ccc(S(=O)(=O)CC(=O)Cl)cc1	2166784	IQVRJNLTAJEDMN-UHFFFAOYSA-N	232.688	1.534	50	50	BDGA	
COc1ccc(N/C=C(\C#N)C(N)=S)cc1	100355928	GXHBNWGDJHIASV-BQYQJAHWSA-N	233.296	1.801	50	50	BDGA	
O=[N+]([O-])c1ccc(S(=O)(=O)CCCl)cc1	1697345	XJTIHTHZQXELBZ-UHFFFAOYSA-N	249.675	1.607	50	50	BDGA	
Cc1ccccc1OCc1ccccc1B(O)O	169807425	USBHMYSLYGTHQY-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	
C=C[C@@H](NC(=O)CCl)C1CCOCC1	1875367560	NZRNCCWMXJXBNN-SECBINFHSA-N	217.696	1.323	50	50	BDGA	
COc1ccc([P@](=O)(O)c2ccccc2)cc1	2143533	XAGCRJFSIIMHDG-UHFFFAOYSA-N	248.218	1.916	50	50	BDGA	
CC(=O)NNC(=O)Nc1c(C)cccc1C	2167512	PFHGHHWZXXVJQT-UHFFFAOYSA-N	221.260	1.476	50	50	BDGA	
Cc1ccc(C(C)C)c(OCC(=O)NN)c1	139027	XNNCMHHVTBHQHS-UHFFFAOYSA-N	222.288	1.487	50	50	BDGA	in-vitro
O=C([C@H]1CCCSS1)N1CCOCC1	1875388184	PRJYTFHGEAXSBL-MRVPVSSYSA-N	233.358	1.389	50	50	BDGA	
O=C1OC(=O)[C@@H]2CC3=C(CCCC3)C[C@H]12	101092767	LYUGLDYZQNPFGT-AOOOYVTPSA-N	206.241	1.967	50	50	BDGA	
CC[C@H](Nc1ccc(Cl)cc1C)C(=O)NN	34925092	ONTYDQNFRRQZJJ-VIFPVBQESA-N	241.722	1.829	50	50	BDGA	
O=C1OC(=O)c2c(F)c(F)c(F)c(F)c21	95713481	BJDDKZDZTHIIJB-UHFFFAOYSA-N	220.077	1.554	50	50	BDGA	in-vitro
COc1cc(/C=N/NC(=O)C2CC2)ccc1O	437478	KIZVIPWLPAFIRJ-NTUHNPAUSA-N	234.255	1.261	50	50	BDGA	
COc1cccc([C@@H](C)NC(=O)[C@H](F)Cl)n1	2325898633	OWBURGHVYZYNFY-MUWHJKNJSA-N	246.669	1.802	50	50	BDGA	
NNC(=O)CSc1ccc(Cl)cc1	150878	SXJWSRUPDZKESM-UHFFFAOYSA-N	216.693	1.422	50	50	BDGA	in-vitro
C[C@]1(CNC(=O)CCl)CCO[C@H]1C1CC1	1875377220	AVVYPNLSGGQYOL-WDEREUQCSA-N	231.723	1.547	50	50	BDGA	
NNC(=O)[C@@H](Cc1ccccc1)n1cccc1	2029474	KZMMVSGDQPMBJL-GFCCVEGCSA-N	229.283	1.262	50	50	BDGA	
COC(=O)NNC(=O)Nc1ccccc1	1227508	MQDPVSYDROXQNM-UHFFFAOYSA-N	209.205	1.079	50	50	BDGA	
CC[C@@H](Nc1ccc(C)cc1C)C(=O)NN	66324370	MJGIBSGZCMUKGU-SNVBAGLBSA-N	221.304	1.484	50	50	BDGA	
Cc1ccc(/C=N/NC(=O)c2cnccn2)o1	28597	IINAOJJIDXJERD-MKMNVTDBSA-N	230.227	1.142	50	50	BDGA	
CC(=O)OC[C@H](Br)C(F)(F)F	39957484	SOLYBTULJSCJLK-BYPYZUCNSA-N	234.999	1.875	50	50	BDGA	
CC(=O)Oc1ccc(CC(=O)CCl)cc1	216635561	DDQXKKRFTXRZSC-UHFFFAOYSA-N	226.659	1.962	50	50	BDGA	in-vitro
C[C@H]1CN(C(=O)OC(C)(C)C)C(=O)OC1=O	32098808	ICAVRDITSQWMAM-LURJTMIESA-N	229.232	1.536	50	50	BDGA	in-vitro
CN1CCCC[C@H]1C(=O)N/N=C/c1ccoc1	1199952	NOSOYIAXGSJGDA-ZWSXMNCCSA-N	235.287	1.214	50	50	BDGA	
COc1ccccc1/C=C(/C#N)C(N)=O	12368673	KBGJTYDNFFSISF-TWGQIWQCSA-N	202.213	1.087	50	50	BDGA	
Cc1nc(C(=O)NCC(Cl)Cl)co1	837646031	MYMWINXDHCGUGM-UHFFFAOYSA-N	223.059	1.517	50	50	BDGA	
CCn1ccc2c(C(=O)NN)cccc21	1857533530	BYTZVBFHJXDZKI-UHFFFAOYSA-N	203.245	1.265	50	50	BDGA	
CN(C(=O)[C@H](F)Cl)c1nn(C)cc1Cl	2325898447	CPRQFLCMEGXCNB-YFKPBYRVSA-N	240.065	1.571	50	50	BDGA	
CCCC(=O)NNC(=O)NC1CCCCC1	6655475	CUBBHQSYUCNETA-UHFFFAOYSA-N	227.308	1.450	50	50	BDGA	
CCN(C[C@H](C)C#N)C(=O)[C@@H](F)Cl	2325820718	PHHNOMXMLPFDNW-RNFRBKRXSA-N	206.648	1.529	50	50	BDGA	
CCN(CC)C(=O)N(N)CC(F)(F)F	757127620	MCNSVYFHQDMXBS-UHFFFAOYSA-N	213.203	1.186	50	50	BDGA	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NN)c1	6233644	GFSYSNACBDIEIP-SSDOTTSWSA-N	228.679	1.406	50	50	BDGA	in-vitro
N#Cc1cccc(C2(NC(=O)CCl)CC2)c1	1875374828	GQLHAHICHCXEQF-UHFFFAOYSA-N	234.686	1.902	50	50	BDGA	
O=C(N=C=S)c1cccc([N+](=O)[O-])c1	2390148	BPIGGCBDZBMLCI-UHFFFAOYSA-N	208.198	1.838	50	50	BDGA	
O=C(CBr)c1ccnc(F)c1	138083260	YWKVFTOAIIFNSJ-UHFFFAOYSA-N	218.025	1.798	50	50	BDGA	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NN)c1	2568681	GVGAAQALWGAIML-SNVBAGLBSA-N	236.315	1.876	50	50	BDGA	
CC(C)N(N)C(=O)OCC(F)(F)F	757131410	KFMYJCYWIZLMTE-UHFFFAOYSA-N	200.160	1.269	50	50	BDGA	
NNC(=O)CC12CC3CC(CC(C3)C1)C2	85535	ZORPHDZMMHDLAM-UHFFFAOYSA-N	208.305	1.583	50	50	BDGA	in-vitro
CCC(=O)NC(NC(=O)CC)C(Cl)Cl	2905306	AVFNITLJPKUTBZ-UHFFFAOYSA-N	241.118	1.169	50	50	BDGA	
CC(C)=C/C(=N\NC(N)=O)C1CCC(=O)CC1	22015820	YXNIQTMOKYFKFK-SDNWHVSQSA-N	237.303	1.736	50	50	BDGA	
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Cl)C1	19485788	RVXRWTIRJZHIJP-IUCAKERBSA-N	247.722	1.415	50	50	BDGA	in-vitro
BrC[C@H](Br)[C@H]1CO1	101367069	ZSVKDSDYRMOCFH-IUYQGCFVSA-N	229.899	1.544	50	50	BDGA	
O=C(CCl)N1C(=O)COc2ccccc21	90399882	AWLWRIPHBXJYJD-UHFFFAOYSA-N	225.631	1.177	50	50	BDGA	
COc1cccc(CNC(=O)CCl)c1OC	32117982	FDTHPPDALZURBA-UHFFFAOYSA-N	243.690	1.559	50	50	BDGA	
N#Cc1cnn2c(CCl)cc(O)nc12	2552519	BARXACSRILQKJE-UHFFFAOYSA-N	208.608	1.045	50	50	BDGA	
CC(C)(C)OC(=O)NC(=O)CBr	140214587	PIBOUPWSAWJWMG-UHFFFAOYSA-N	238.081	1.433	50	50	BDGA	
C[C@H](Oc1cccc2ccccc12)C(=O)NN	265148	MJHKQUIMTCUMQV-VIFPVBQESA-N	230.267	1.597	50	50	BDGA	
OB(O)c1ccc(OCc2ccccc2)cc1F	169743805	PQWKGFALWCOVTC-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	
N#CC(C#N)=Cc1ccccc1OCCO	2902825	SKZVHKCQUHCUAK-UHFFFAOYSA-N	214.224	1.488	50	50	BDGA	
COC(=O)/C(C#N)=C/C=C/C=C\N(C)C	32189479	OADMVFFDJJGEDF-QUZVSOSVSA-N	206.245	1.241	50	50	BDGA	
N#CC1=C(N)CCN(Cc2ccccc2)C1	31659537	ZSVSBYQAJAESNL-UHFFFAOYSA-N	213.284	1.629	50	50	BDGA	in-vitro
O=C/C(=C\O)c1cccc(C(=O)O)c1[N+](=O)[O-]	153817	AYMDTXXADJGCEA-GQCTYLIASA-N	237.167	1.391	50	50	BDGA	
COc1cc(/C=C/C=O)cc(OC)c1O	1530242	CDICDSOGTRCHMG-ONEGZZNKSA-N	208.213	1.622	50	50	BDGA	biogenic,in-vitro
CCN(C[C@H](C)C#N)C(=O)[C@H](F)Cl	2325820719	PHHNOMXMLPFDNW-RQJHMYQMSA-N	206.648	1.529	50	50	BDGA	
COc1ccc(C(=O)NN)cc1Br	588035	JMNOKSFPVQAECV-UHFFFAOYSA-N	245.076	1.061	50	50	BDGA	
COc1cc(C=O)cc(CCl)c1O	2505754	LNACAWAKOKCCKX-UHFFFAOYSA-N	200.621	1.952	50	50	BDGA	
C[C@H](Cl)C(=O)NC[C@H]1CC12CCOCC2	1875368209	YRGDTOIJUWJHNR-DTWKUNHWSA-N	231.723	1.547	50	50	BDGA	
Cc1cc(C(=O)N/N=C/c2cccc(O)c2)[nH]n1	9015065	YERCICBVULDERL-NTUHNPAUSA-N	244.254	1.188	50	50	BDGA	
O=S(=O)(CCO)c1ccc(N=C=S)cc1	2532487	ACMVEQJMSSJQLA-UHFFFAOYSA-N	243.309	1.187	50	50	BDGA	
OB(O)c1cc(OCc2ccccc2)ccc1F	169933907	DIHHJULQESBDHE-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	in-vitro
COc1ccc(OC)c(NC(=O)NN(C)C)c1	1588515	RZUFWTOYQPUVFT-UHFFFAOYSA-N	239.275	1.302	50	50	BDGA	
Cn1ncc(Br)c1C(=O)Cl	6319561	UYQOVBRZZLXZEZ-UHFFFAOYSA-N	223.457	1.562	50	50	BDGA	
C[C@](Cl)(CCl)C(=O)N1CCOCC1	71774034	NCOMQANEIHPVBR-QMMMGPOBSA-N	226.103	1.082	50	50	BDGA	
CC(C)NC(=O)/C(C#N)=C/c1cncn1C(C)C	585135842	FRKNYQVVXZLOCY-VZUCSPMQSA-N	246.314	1.896	50	50	BDGA	
C[C@](CO)(CNC(=O)CCl)c1ccccc1	1875377260	BDJRCJJHAONNJV-GFCCVEGCSA-N	241.718	1.292	50	50	BDGA	
O=C(CCl)NC[C@]1(C2CC2)CCCO1	1875368119	RMZHYZFVQAUVSI-JTQLQIEISA-N	217.696	1.301	50	50	BDGA	
COC(=O)[C@H](Br)CC(F)(F)F	79387345	IGMSVJMQSABMQX-GSVOUGTGSA-N	234.999	1.875	50	50	BDGA	
CC(C)N1CCN(C(=O)[C@H](C)Cl)CC1	36170940	YWUXPZHJBWQXJO-VIFPVBQESA-N	218.728	1.166	50	50	BDGA	
Cc1cc(B(O)O)c(Cl)cc1C1CC1	238453586	DVGOFIZBAWEZTL-UHFFFAOYSA-N	210.469	1.206	50	50	BDGA	
O=C(Cl)[C@@H]1CN(Cc2ccccc2)CCO1	19851644	GWZAPYIZGOEFDI-NSHDSACASA-N	239.702	1.653	50	50	BDGA	
Cc1nc2ccccn2c(=O)c1CCCl	332182	LFTGLYCNMGGMKL-UHFFFAOYSA-N	222.675	1.784	50	50	BDGA	in-vitro
CCOC(=O)NNC(=O)Nc1ccccc1	2169067	ZNRQNLRWXBDXBE-UHFFFAOYSA-N	223.232	1.469	50	50	BDGA	biogenic
C[C@H](Nc1cccc(Cl)c1)C(=O)NN	34925115	KFNPFZUIQLVUJV-LURJTMIESA-N	213.668	1.130	50	50	BDGA	
CCCCOc1ccc(Cl)c(B(O)O)c1	169934248	DCSNETLHXULGKD-UHFFFAOYSA-N	228.484	1.199	50	50	BDGA	in-vitro
CN(C)c1ccc([C@@H]2N[C@@H](CCl)CO2)cc1	19300655	OFPHRPHIISLCLQ-CMPLNLGQSA-N	240.734	1.978	50	50	BDGA	
Cn1nnc2ccc(NC(=O)[C@H](F)Cl)cc21	2325901563	KTXDWQBALBCBSV-QMMMGPOBSA-N	242.641	1.441	50	50	BDGA	
Cc1ccc(O[C@H](C)C(=O)NN)c(C)c1	2568990	KPSFMYYHYJMRAG-SECBINFHSA-N	208.261	1.061	50	50	BDGA	in-vitro
COc1cccc(C=NC(C#N)=C(N)C#N)c1O	2040355411	HYPOJQUWLSUZGN-UHFFFAOYSA-N	242.238	1.037	50	50	BDGA	
O=C(CCl)N1CC[C@@H](Cc2nccs2)C1	1120079578	QJJNCCPVZKRMRD-QMMMGPOBSA-N	244.747	1.773	50	50	BDGA	
N#CSc1ccc([N+](=O)[O-])c(C(=O)O)c1	2567943	NQUNIMFHIWQQGJ-UHFFFAOYSA-N	224.197	1.866	50	50	BDGA	in-vitro
CCCCCC(=O)NNC(=O)c1ccco1	2779351	QUNJYUMZGMGGIP-UHFFFAOYSA-N	224.260	1.621	50	50	BDGA	
CO[Si](C)(CCCNCCCN(C)C)OC	169808762	LZWFTMZUDLGKMY-UHFFFAOYSA-N	248.443	1.283	50	50	BDGA	
CC(C)n1ncnc1CNC(=O)[C@@H](C)Cl	1875366344	CHMOAKPZLWEQQF-SSDOTTSWSA-N	230.699	1.103	50	50	BDGA	
NNC(=O)c1csc(-c2cccs2)n1	120747	UHTMEFBCYDRAQK-UHFFFAOYSA-N	225.298	1.475	50	50	BDGA	
COC(=O)[C@@H](Br)C(C)(C)C	196441491	OLCDNKISRYJVQH-RXMQYKEDSA-N	209.083	1.969	50	50	BDGA	
NNC(=O)c1cc(Cl)c(O)c(Cl)c1	2383026	YAECGTGIGJYKPO-UHFFFAOYSA-N	221.043	1.303	50	50	BDGA	in-vitro
C[C@](Br)(CBr)C(=O)O	3074795	UYCLMYDTNVHCAN-BYPYZUCNSA-N	245.898	1.620	50	50	BDGA	in-vitro
CO[Si](OC)(OC)c1ccc(CCl)cc1	169746961	ZXOFHTCCTUEJQJ-UHFFFAOYSA-N	246.766	1.511	50	50	BDGA	
C[C@H](CCc1ccncc1)NC(=O)CCl	1875368066	OBUUICMVVUSQKF-SECBINFHSA-N	226.707	1.758	50	50	BDGA	
N#CC1(c2ccc(F)c(B(O)O)c2)CCCCC1	170016982	FHZWUCOLZQGZHY-UHFFFAOYSA-N	247.078	1.231	50	50	BDGA	
CC(=O)Oc1ccc([N+](=O)[O-])c(CC#N)c1	584906738	CCDCAFUQDBQDJK-UHFFFAOYSA-N	220.184	1.586	50	50	BDGA	
O=c1cc(CCl)nc2c(O)cccn12	40162945	GDPDHDSSORRBEQ-UHFFFAOYSA-N	210.620	1.139	50	50	BDGA	in-vitro
CC(C)Oc1ccc(B(O)O)c(C(F)(F)F)c1	169806881	MQWMPOPSYRZCAI-UHFFFAOYSA-N	248.009	1.172	50	50	BDGA	
COc1ccc2cc(OCC(=O)NN)ccc2c1	2549407	PMLLDVMDXUTPPQ-UHFFFAOYSA-N	246.266	1.217	50	50	BDGA	
C=CCNC(=O)[C@@H](Br)C(C)C	2044200	WCNCYFCHRAPWKD-ZETCQYMHSA-N	220.110	1.708	50	50	BDGA	in-vitro
C/C(=N\NC(N)=O)c1cccc(Cl)c1	5161678	FMBJODQYWAEYGJ-WUXMJOGZSA-N	211.652	1.732	50	50	BDGA	in-vitro
CSC1=C(C#N)C2(CCCC2)[C@@H](C#N)C(=O)N1	187346	PEFMFFVAOIIJPF-QMMMGPOBSA-N	247.323	1.915	50	50	BDGA	
C[C@@H]1S[C@H](C)C/C(=N/NC(N)=O)[C@H]1C	100288797	DHPOGONLJWVUIH-OKLPOTCJSA-N	215.322	1.561	50	50	BDGA	
CCN(CC)c1ccc(/C=N\NC(N)=O)cc1	32451091	XPPDVSPFQAFILG-ZROIWOOFSA-N	234.303	1.535	50	50	BDGA	
C[C@H]1CCC[C@H]1N(CCO)C(=O)CCl	1875381179	MOTVDJPRCMMPEU-DTWKUNHWSA-N	219.712	1.235	50	50	BDGA	
CCOC(=O)[C@@H]1CCC[C@H](Br)C1=O	5856956	VKCMWLOBUILIOQ-RQJHMYQMSA-N	249.104	1.682	50	50	BDGA	in-vitro
Cc1ccc(B(O)O)cc1-c1ccccc1	208401687	HGJRATBOKHZFNC-UHFFFAOYSA-N	212.057	1.342	50	50	BDGA	
NC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O	295110	SARAKVGXIOTMEN-KGVSQERTSA-N	248.069	1.701	50	50	BDGA	
C[C@H](Nc1ccc(Cl)cc1)C(=O)NN	499529	KDGOMNYOAFIEOI-LURJTMIESA-N	213.668	1.130	50	50	BDGA	
CCO/C=C(\C#N)S(=O)(=O)C(C)C	2169225	CRDHNCRZANDFFU-SOFGYWHQSA-N	203.263	1.211	50	50	BDGA	in-vitro
O=C1OC(=O)[C@@]2(Br)[C@H]1[C@H]1C=C[C@H]2C1	104105494	CLTOWDKISUFHLB-JXBXBTJBSA-N	243.056	1.026	50	50	BDGA	
CCOc1ccc(NC(=S)NNC=O)cc1	5949214	LNMINFIKKXYKPY-UHFFFAOYSA-N	239.300	1.033	50	50	BDGA	
COc1ccnc(C(=O)CBr)c1	90411669	RCWOHWBGKXDPHP-UHFFFAOYSA-N	230.061	1.668	50	50	BDGA	in-vitro
CC(C)OCC[C@H](C#N)NC(=O)[C@@H](C)Cl	1875304077	YUSUNBAMLIGTJE-RKDXNWHRSA-N	232.711	1.437	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCC12CCC(CO)CC2	1875378217	XSMCUECFLALIAR-GRZMOONWSA-N	245.750	1.767	50	50	BDGA	
O=C(CBr)NCc1ccccc1	3078109	SXCURSCBIMAPDV-UHFFFAOYSA-N	228.089	1.698	50	50	BDGA	
Cc1c(O)ccc(C(=O)CCl)c1O	1583371	ZRZLXGQTJQSYLM-UHFFFAOYSA-N	200.621	1.828	50	50	BDGA	biogenic
CO[Si](CC[C@@H]1CC[C@H]2O[C@H]2C1)(OC)OC	198842407	DQZNLOXENNXVAD-AXFHLTTASA-N	246.379	1.822	50	50	BDGA	in-vitro
Cn1c(=O)n(C)c2cc(C(=O)CCl)ccc21	11770350	ZNXAABCGMVLFHT-UHFFFAOYSA-N	238.674	1.299	50	50	BDGA	
O=C(N/N=C/c1ccc(O)cc1)c1ccccn1	227950	XCWLRKUNIFCQFY-OQLLNIDSSA-N	241.250	1.551	50	50	BDGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H]1CO	169834126	GQXMFAIYVGQEJP-IUCAKERBSA-N	218.369	1.768	50	50	BDGA	
CC(=O)N(C=C(C#N)C#N)c1ccccc1	409890	APMGGBGNOOXDMX-UHFFFAOYSA-N	211.224	1.971	50	50	BDGA	
CCNC[C@H](C)C[Si](OC)(OC)OC	196055115	FRDNYWXDODPUJV-VIFPVBQESA-N	221.373	1.110	50	50	BDGA	
Cc1nnsc1CNC(=O)[C@@H](C)Cl	307315954	MYTGXFMDBCZFPF-SCSAIBSYSA-N	219.697	1.090	50	50	BDGA	
CCCC(=O)NNC(=O)CC1CCCC1	72442142	YFUXVEPUOIURHD-UHFFFAOYSA-N	212.293	1.514	50	50	BDGA	
CCOC(=O)[C@@H](F)I	2379348	HEEACDPQRCJXKT-VKHMYHEASA-N	231.992	1.280	50	50	BDGA	in-vitro
CCc1nocc1CN(C)C(=O)CCl	1118493059	RHTCCQIRJIIIRJ-UHFFFAOYSA-N	216.668	1.434	50	50	BDGA	
NNC(=O)c1cc(Cl)cc(Br)c1	169271397	QLLNQGLXNAMPIL-UHFFFAOYSA-N	249.495	1.706	50	50	BDGA	
C[C@@H](Br)C(=O)C(F)(F)F	2560294	MHSGADWWPRDQNH-UWTATZPHSA-N	204.973	1.901	50	50	BDGA	in-vitro
NNC(=O)/C(=C\C=C\c1ccccc1)CCCO	16133924	VGDJMPMBBXYBCZ-VEJZVKIUSA-N	246.310	1.389	50	50	BDGA	
OB(O)c1ccc(Oc2cccc(F)c2)cc1	169746544	GJKLNXCGVYJBRK-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	
BrC[C@H]1C[n+]2ccccc2N1	5517413	IVDGEHGGFHKCAF-ZETCQYMHSA-O	214.086	1.163	50	50	BDGA	
CC(C)(C)N(N)C(=O)c1ccccc1[N+](=O)[O-]	4108452	ULXGWOJPDXYKDE-UHFFFAOYSA-N	237.259	1.709	50	50	BDGA	
OB(O)/C=C\c1ccc(C(F)(F)F)cc1	195819765	BBNQFBHQOPZKTI-WAYWQWQTSA-N	215.967	1.731	50	50	BDGA	
COc1ccc(OC)c(NC(=O)CCl)c1	162755	BDDQUHPZDJEQRL-UHFFFAOYSA-N	229.663	1.881	50	50	BDGA	in-vitro
NNC(=O)c1ccc(OC(F)(F)F)cc1	122567	QWYPNGTZNFACCP-UHFFFAOYSA-N	220.150	1.189	50	50	BDGA	in-vitro
NOP(=O)(c1ccccc1)c1ccccc1	100007595	SJECIYLGISUNRO-UHFFFAOYSA-N	233.207	1.806	50	50	BDGA	
OB(O)c1ccc2cc3ccccc3cc2c1	169746885	PKWBMOXZIMVOJT-UHFFFAOYSA-N	222.052	1.673	50	50	BDGA	in-vitro
N#CC(C#N)=C(N)C(Cl)(Cl)Cl	13880708	XCHCMABVEJHUJZ-UHFFFAOYSA-N	210.451	1.617	50	50	BDGA	in-vitro
COc1ccc(/C=C(/C#N)C(N)=O)cc1	121479	SUCNFHGGPRWDID-TWGQIWQCSA-N	202.213	1.087	50	50	BDGA	
NS(=O)(=O)c1ccc2oc(CCl)nc2c1	14987598	UXYMOZDZJCWLMB-UHFFFAOYSA-N	246.675	1.214	50	50	BDGA	
C[C@H](Br)C(=O)Nc1ccccn1	19094187	AGOKFOHYVATACC-LURJTMIESA-N	229.077	1.804	50	50	BDGA	
Cc1cc(C(F)(F)F)c(Cl)cc1B(O)O	169903990	WIXOOBHBVKOORA-UHFFFAOYSA-N	238.401	1.347	50	50	BDGA	
O=c1cc(CCl)nc2sc(C3CC3)nn12	8728823	RZAODRKXUJHQOO-UHFFFAOYSA-N	241.703	1.767	50	50	BDGA	
CN(C)/C=C(/C#N)c1nc2ccccc2[nH]1	100115508	GZORTPUDCQBPOH-HJWRWDBZSA-N	212.256	1.989	50	50	BDGA	
OB(O)c1ccc(N2CCCCC2)cc1Cl	170001440	XXIRGXAUAUCOBO-UHFFFAOYSA-N	239.511	1.010	50	50	BDGA	
C[C@@H](NC(=O)CCl)c1cnn(C2CC2)c1	1875367889	WCKBLLXLRXCVEQ-SSDOTTSWSA-N	227.695	1.634	50	50	BDGA	
Cc1ccc(/C=N/NC(=O)c2cccnc2)o1	59585	ZGZMHLUNDKKGTA-RIYZIHGNSA-N	229.239	1.747	50	50	BDGA	
O=C(NCc1ccnn1C1CCC1)[C@H](F)Cl	2325897778	ILILMGNNZOODJG-VIFPVBQESA-N	245.685	1.759	50	50	BDGA	
CC(C)=NNC(=O)C(=O)N[C@H](C)c1ccccc1	5008733	ACQQMNQWSWTDGS-SNVBAGLBSA-N	247.298	1.376	50	50	BDGA	
Nc1ccccc1[P@](=O)(O)c1ccccc1	101449578	RJSBOEBQVNUDAT-UHFFFAOYSA-N	233.207	1.490	50	50	BDGA	
O=C(NNc1ncccc1Cl)c1cccnn1	1641287601	KKKNYOVYJZXKSC-UHFFFAOYSA-N	249.661	1.282	50	50	BDGA	
NC(=O)[C@@H](Cl)c1ccc2c(c1)OCO2	15020261	XZWISBHMAMTRHK-QMMMGPOBSA-N	213.620	1.181	50	50	BDGA	in-vitro
O=S1(=O)N=C(OCCCl)c2ccccc21	2029046	CGKMDHCWSOHQCE-UHFFFAOYSA-N	245.687	1.391	50	50	BDGA	
OB(O)c1ccc(Oc2ccccc2)cc1	169743270	KFXUHRXGLWUOJT-UHFFFAOYSA-N	214.029	1.159	50	50	BDGA	in-vivo
OB(O)c1cc(Cl)c(F)c(C(F)(F)F)c1	1775955814	ZKUUKPYYSKNCKG-UHFFFAOYSA-N	242.364	1.178	50	50	BDGA	
CCOC(=O)N/N=C/c1cccc(OC)c1O	231693	JFJXTAHWPNCJKG-KPKJPENVSA-N	238.243	1.481	50	50	BDGA	
C[C@@H](O)CCC(=O)N/N=C/c1ccccc1	3105725	BMZMSBBXPFAURY-QQMDNXKGSA-N	220.272	1.298	50	50	BDGA	
Cc1cccnc1CCNC(=O)CCl	405008659	NVRPOEUQDREVRX-UHFFFAOYSA-N	212.680	1.288	50	50	BDGA	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)CCl	214470181	WCRYBJJGDDLNHW-NSHDSACASA-N	249.738	1.987	50	50	BDGA	
CCC(=O)NNC(=S)NC1CCCCC1	6396269	FGBQQGYXRGWSMT-UHFFFAOYSA-N	229.349	1.224	50	50	BDGA	
CC(C)COc1ccc2cc(B(O)O)ccc2c1	169926537	LRZCWHYVQRQCFU-UHFFFAOYSA-N	244.099	1.554	50	50	BDGA	
Cc1nc2n(c(=O)c1CCCl)CCC[C@H]2O	22054553	JKVUGXRJSYRXFN-SECBINFHSA-N	242.706	1.160	50	50	BDGA	in-vitro
COC(=O)CCCI	2568272	NBCIIVXSBPDKOM-UHFFFAOYSA-N	228.029	1.375	50	50	BDGA	in-vitro
IC[C@@H]1CCOC1	14983073	UJXHPFDJZCXTQR-YFKPBYRVSA-N	212.030	1.458	50	50	BDGA	in-vitro
O=C(N/N=C/c1cccnc1)c1ccc(O)cc1	231675	ONZXDTREJDWPHF-OQLLNIDSSA-N	241.250	1.551	50	50	BDGA	
COc1ccc(OC)c(/C(C)=N\NC(N)=O)c1	25540790	MLFYRBIRSIBSDD-QPEQYQDCSA-N	237.259	1.096	50	50	BDGA	
C[C@H](CSSC[C@@H](C)C(=O)O)C(=O)O	2895848	AQLWLHRHIFTILV-PHDIDXHHSA-N	238.330	1.809	50	50	BDGA	biogenic,in-vitro
OB(O)c1cccc(Oc2ccccc2)c1	169743801	LOPQWMNOCSRRSR-UHFFFAOYSA-N	214.029	1.159	50	50	BDGA	in-vitro
COc1cc(/C=C/C=O)ccc1OC(C)=O	12364628	VEKAJHBFBMWJKI-ONEGZZNKSA-N	220.224	1.833	50	50	BDGA	in-vitro
C[C@@]1(CNC(=O)CCl)CCO[C@@H]1C1CC1	1875377216	AVVYPNLSGGQYOL-MNOVXSKESA-N	231.723	1.547	50	50	BDGA	
CCN1CCC[C@H]1CNC(=O)C(C)(C)CCl	2152635	RLCOAYIUIZYJOY-JTQLQIEISA-N	246.782	1.852	50	50	BDGA	
O=c1cc(CCl)nc2sccn12	2569103	WANAHALOOUKFKI-UHFFFAOYSA-N	200.650	1.495	50	50	BDGA	in-vitro
N#CC(C#N)=C(N)[C@]1(C#N)O[C@@H]1c1ccccc1	230615339	NFOPYTRBLBDSEC-OLZOCXBDSA-N	236.234	1.280	50	50	BDGA	
C[C@@H]1CCc2cc(C(=O)NN)sc2C1	19737271	XVDAMHAXHYXHHW-ZCFIWIBFSA-N	210.302	1.476	50	50	BDGA	in-vitro
N#CSCC(=O)c1ccc(O)c(O)c1	39096922	SVFLBLCWKKQKDW-UHFFFAOYSA-N	209.226	1.495	50	50	BDGA	in-vitro
CCOC(=O)C1CCN(CCCl)CC1	40990495	OTUFGRVWNPWRJD-UHFFFAOYSA-N	219.712	1.500	50	50	BDGA	
C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)CO	169836164	MHXCSVAUTQQMFF-ZJUUUORDSA-N	234.412	1.998	50	50	BDGA	
Cc1nc(CNC(=O)[C@H](F)Cl)oc1C	1875362153	SZJIWOFSGDFFNO-ZETCQYMHSA-N	220.631	1.442	50	50	BDGA	
CCO[Si](OCC)(OCC)c1ccoc1	170160357	FCIABWJRBPKYJO-UHFFFAOYSA-N	230.336	1.535	50	50	BDGA	
CCOC(=O)C1(CBr)CC1	143467652	AADCTOWEQFWQTO-UHFFFAOYSA-N	207.067	1.725	50	50	BDGA	in-vitro
OB(O)c1ccc(Oc2ccc(Cl)cc2)cc1	201089255	KWCZAQAFQKTBBY-UHFFFAOYSA-N	248.474	1.812	50	50	BDGA	in-vitro
N#CC(C#N)=C(N)[C@]1(C#N)O[C@H]1c1ccccc1	230615348	NFOPYTRBLBDSEC-STQMWFEESA-N	236.234	1.280	50	50	BDGA	
NNC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1	9015115	PCRLASMTRBJJJL-UHFFFAOYSA-N	242.691	1.395	50	50	BDGA	
COc1cccc(OCC(=O)NNC(C)C)c1	5481846	SASJUXCISSASLI-UHFFFAOYSA-N	238.287	1.103	50	50	BDGA	
C/C(C=O)=C\c1cccc([N+](=O)[O-])c1O	12342779	ZRNALSQSWIKFRE-FNORWQNLSA-N	207.185	1.903	50	50	BDGA	
O=C(CCl)NCc1cc(C(F)F)no1	1875367429	AMZPJDLDHFFBAT-UHFFFAOYSA-N	224.594	1.467	50	50	BDGA	
COc1ccc(C=C(C#N)C#N)cc1O	68542	ANCMUMYWPOMTIR-UHFFFAOYSA-N	200.197	1.831	50	50	BDGA	biogenic
CC[C@@H](Nc1ccc(C)cc1)C(=O)NN	34925100	HRNYWLLXJWIQFW-SNVBAGLBSA-N	207.277	1.175	50	50	BDGA	
C/C(C#N)=C\CN1C(=O)[C@H](C)[C@@H](C)C1=O	1775986625	BYXQLEZNZFTHSU-AOZRHXBJSA-N	206.245	1.097	50	50	BDGA	
CC(=O)[C@@H](Cl)C(=O)Nc1ccccc1	169187	LBHYOONLWAWEAA-SECBINFHSA-N	211.648	1.822	50	50	BDGA	
CC(C)(C)OC(=O)N1CCO[C@@H](CCl)C1	66054687	LKTUWBGNUYXETD-QMMMGPOBSA-N	235.711	1.861	50	50	BDGA	
COC(=O)c1ncccc1CBr	21985067	NPIDZOQTBRDJRT-UHFFFAOYSA-N	230.061	1.763	50	50	BDGA	in-vitro
CCCN(N)C(=O)OCC(F)(F)F	757131006	AJHUXCLJLIMVQB-UHFFFAOYSA-N	200.160	1.271	50	50	BDGA	
COc1cc([C@H](C)NC(=O)CCl)sn1	1875367266	KOBCJFCHIZOIAV-YFKPBYRVSA-N	234.708	1.568	50	50	BDGA	
CCOC(=O)C(=O)N/N=C(\C)c1ccccc1	3903071	FHWHQYIHODUTTD-UKTHLTGXSA-N	234.255	1.090	50	50	BDGA	
C[C@@H](c1cccnc1)N(C)C(=O)CCl	1324706452	JREVJTPHCVUJRK-QMMMGPOBSA-N	212.680	1.840	50	50	BDGA	
C=CCOc1ccccc1/C=N/NC(C)=O	4366654	KHQNMWATEFBSNR-UKTHLTGXSA-N	218.256	1.721	50	50	BDGA	
CCO[Si](CC)(CCCN)OCC	169954623	BNYFUBOZYDQIDU-UHFFFAOYSA-N	205.374	1.870	50	50	BDGA	
C[C@H](Cl)C(=O)NC(C)(C)c1ncon1	1875375995	LHJYHNBHZURTOJ-YFKPBYRVSA-N	217.656	1.048	50	50	BDGA	
N#CC1=CCC[C@H](OC(=O)C[C@H]2COC(=O)C2)C1	888099758	WPCVUJLRFCOQSN-QWRGUYRKSA-N	249.266	1.485	50	50	BDGA	
O=C(CCl)CN1C(=O)c2ccccc2C1=O	40224	GUEXBHONHJVHTM-UHFFFAOYSA-N	237.642	1.091	50	50	BDGA	
[N-]=[N+]=NCCOCCOCCBr	96503551	QZCKRLVDTQCBFT-UHFFFAOYSA-N	238.085	1.725	50	50	BDGA	
CC(C)(C)OC(=O)n1cccc1[Si](C)(C)O	169744950	RLDVDBYGGISJNL-UHFFFAOYSA-N	241.363	1.676	50	50	BDGA	
Cc1nonc1C(=O)N/N=C/c1ccccc1	175089	RUJZIZIQGHPDDL-KPKJPENVSA-N	230.227	1.142	50	50	BDGA	
CS(=O)(=O)Nc1ccc(C(=O)CCl)cc1	334320	DRQKKEYKSSAVTO-UHFFFAOYSA-N	247.703	1.480	50	50	BDGA	in-vitro
CC(C)(CCl)NS(=O)(=O)c1ccccc1	322706	LTDONFMYMHXOPH-UHFFFAOYSA-N	247.747	1.982	50	50	BDGA	
CC(=NNC(=O)C[N+](=O)[O-])c1ccc(C)cc1	239121060	JFIBCEUPSVSZFE-UHFFFAOYSA-N	235.243	1.112	50	50	BDGA	
OCc1ccc(OCCBr)cc1	165067494	GAAPTDXMUPBCQD-UHFFFAOYSA-N	231.089	1.953	50	50	BDGA	
O=C(CCl)N[C@@H]1CC[C@@](O)(C(F)(F)F)C1	1875375906	UIRPHVBGNXFOQQ-VDTYLAMSSA-N	245.628	1.187	50	50	BDGA	
C[C@H](Cl)C(=O)Nc1ccc(C(=O)O)cc1	12016248	XBNHIMDSBBJEJN-LURJTMIESA-N	227.647	1.951	50	50	BDGA	
OB(O)Cc1ccc(C(F)(F)F)cc1F	170001635	VXAQOONODSHKDQ-UHFFFAOYSA-N	221.946	1.399	50	50	BDGA	
COCc1[nH]nc2c1[C@@H](C(C)C)C(C#N)=C(N)O2	377508	YTNNVRNBSHIBJK-VIFPVBQESA-N	248.286	1.382	50	50	BDGA	
C[C@@H](SS[C@H](C)C(=O)O)C(=O)O	32153605	UTDRPUGFHHVEDG-QWWZWVQMSA-N	210.276	1.314	50	50	BDGA	in-vitro
NNC(=O)c1ccc(C(F)(F)F)cc1	77111	GKBDXTNCBPZMFX-UHFFFAOYSA-N	204.151	1.309	50	50	BDGA	
CCCC(=O)NNC(=S)NC1CCCCC1	6397281	HVLGDTMHIITKHW-UHFFFAOYSA-N	243.376	1.615	50	50	BDGA	
Cc1ccc(NCc2ccc(B(O)O)cc2)cc1	197861772	YOMNWNPLCCZFQN-UHFFFAOYSA-N	241.099	1.287	50	50	BDGA	
C[C@@H]1[C@@H](Cl)[C@H]1CN1CCCN(C=O)CC1	585136555	KLYDYJMESFEETB-GARJFASQSA-N	230.739	1.024	50	50	BDGA	
CS(=O)(=O)c1ccc(CBr)cc1	2556296	HGKPAXHJTMHWAH-UHFFFAOYSA-N	249.129	1.985	50	50	BDGA	in-vitro
CC(C)C[C@H]1COCC[C@H]1NC(=O)CCl	1875376614	DBJHRWPVTDGDTE-VHSXEESVSA-N	233.739	1.793	50	50	BDGA	
C[C@H](SCc1ccccc1)C(=O)NN	20312083	AYTXTIFXKYOPFC-QMMMGPOBSA-N	210.302	1.298	50	50	BDGA	
COC(C)(C)[C@H](Br)C(=O)O	1689049	OJPAPXGHVASXJT-SCSAIBSYSA-N	211.055	1.260	50	50	BDGA	
C[N+]1(CI)CCCC1	3070188	IOISBEMNUOGYIU-UHFFFAOYSA-N	226.081	1.619	50	50	BDGA	
O=C1OC(=O)[C@]23C=CC=C[C@@]12CCCC3	101045971	OGQUHSCYTJIKFK-VXGBXAGGSA-N	204.225	1.743	50	50	BDGA	
O=C(NCC1CC1)N/N=C1/CCn2cccc21	136769682	TXNQFTXHIHJVGH-UVTDQMKNSA-N	232.287	1.305	50	50	BDGA	
CC1[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@@H]1C(=O)OC(=O)[C@H]12	257357690	PLBCMLQTBDFVQG-LAPIUDCISA-N	244.290	1.924	50	50	BDGA	
CCOC(=O)[C@H](Br)C1CC1	77028104	BTAPHOMYBWYDEU-ZCFIWIBFSA-N	207.067	1.723	50	50	BDGA	in-vitro
O=C(NNC(=O)c1cccs1)c1cccnc1	53335	PGRSYKXFGTXMAC-UHFFFAOYSA-N	247.279	1.218	50	50	BDGA	
C[C@H](Cl)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C	306334257	UFRFYJMRURNXIN-BIIVOSGPSA-N	201.697	1.728	50	50	BDGA	
OB(O)Cc1ccc(F)c(C(F)(F)F)c1	170001426	YVISRSSEDBNWCZ-UHFFFAOYSA-N	221.946	1.399	50	50	BDGA	
N#Cc1cccc2c1CC[C@H]2NC(=O)CCl	1875370514	RQKJIJAPBJTNRO-LLVKDONJSA-N	234.686	1.901	50	50	BDGA	
Cn1cc(CBr)ccc1=O	148998008	OMMQQECWTWLVKJ-UHFFFAOYSA-N	202.051	1.280	50	50	BDGA	
COC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	298852	ZTZSBEDAYLMFCQ-UXBLZVDNSA-N	223.188	1.285	50	50	BDGA	
CC1=C(C)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)OC(=O)[C@@H]43)[C@@H]12	101043910	BDIHXCWQHPNJAL-ZKSVUJDCSA-N	230.263	1.700	50	50	BDGA	
CCOc1ccccc1/C=N/NC(C)=O	4366226	FRIKHORRUSLZNA-XYOKQWHBSA-N	206.245	1.555	50	50	BDGA	
Cn1c2ccccc2c2cc(C(=O)NN)sc21	1386864	TZGRWWQZRJIPIB-UHFFFAOYSA-N	245.307	1.997	50	50	BDGA	
O=C(CCl)N1CCOc2ccccc21	15423329	DPXJXQYTQBUEMC-UHFFFAOYSA-N	211.648	1.651	50	50	BDGA	in-vitro
COc1ccccc1[C@@H]1CC(=O)OC1=O	101684538	HQXQWVOJQNRHTM-QMMMGPOBSA-N	206.197	1.252	50	50	BDGA	
O=C(NNc1cccc(Cl)n1)C1CC1	1394553	FODVFDHZIJZDMF-UHFFFAOYSA-N	211.652	1.588	50	50	BDGA	
CNC(=O)/C(C#N)=C/c1ccccc1OC	289221	ADJPXLRMLRBSEV-JXMROGBWSA-N	216.240	1.348	50	50	BDGA	
C=CCN(CC=C)C(=O)CBr	12403772	LUQJYRFAMLETNH-UHFFFAOYSA-N	218.094	1.582	50	50	BDGA	in-vitro
Cc1cc(C(=O)N/N=C\c2ccccc2)[nH]n1	32609427	SLPZEVJJUKPJPA-JYRVWZFOSA-N	228.255	1.482	50	50	BDGA	
Cc1ccc(COc2cccc(B(O)O)c2)cc1	197900785	WZSJTVTUCVQERB-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	
CCOC(=O)/C(C#N)=C1/C[C@H](C)N(C)C[C@H]1C	245238810	BDKQNXZHEKKITA-VYEBIXSXSA-N	236.315	1.730	50	50	BDGA	
Cc1ccc(Br)c(B(O)O)c1Cl	169747998	PULIDPRGYYCQEZ-UHFFFAOYSA-N	249.300	1.091	50	50	BDGA	in-vitro
N#CC(=C1NCCCN1)c1nc2ccccc2[nH]1	170610657	XMARWBBLMXSOIH-UHFFFAOYSA-N	239.282	1.338	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H](C)c1ccns1	715965692	HJZZLDWJKNXUPA-WDSKDSINSA-N	218.709	1.948	50	50	BDGA	
Cc1nc(C(F)(F)F)ccc1C(=O)NN	66368	UISIMZFADQHGGK-UHFFFAOYSA-N	219.166	1.012	50	50	BDGA	
O=P(O)(c1ccccc1)c1ccccc1	161717	BEQVQKJCLJBTKZ-UHFFFAOYSA-N	218.192	1.908	50	50	BDGA	biogenic,in-vitro
CC/C(C)=N/NC(=O)c1n[nH]c2c1CCC2	4955914	LVPVQFOKGXIACA-KPKJPENVSA-N	220.276	1.414	50	50	BDGA	
CN1C[C@H](CBr)CCC1=O	238321313	DBCUOYZOPYEUCP-LURJTMIESA-N	206.083	1.250	50	50	BDGA	
O=C=NC[C@@H](CC(=O)O)c1ccccc1	757188738	PMCPPFVLUPDAAS-SNVBAGLBSA-N	205.213	1.581	50	50	BDGA	
C[C@H]1Oc2ccc(C(=O)CCl)cc2NC1=O	4129305	FXGLAGVWVUQWSL-ZCFIWIBFSA-N	239.658	1.828	50	50	BDGA	in-vitro
CC(=O)N(C)c1ccc(NC(=O)CCl)cc1	1751301	XLBFPNOXSSVIIR-UHFFFAOYSA-N	240.690	1.847	50	50	BDGA	in-vitro
Cc1cc(C)nc(NNC(=O)c2cccnc2)n1	528420	CDTFXQICQZQFKR-UHFFFAOYSA-N	243.270	1.245	50	50	BDGA	
BrCCO[C@@H]1CCCCO1	1753296	GCUOLJOTJRUDIZ-SSDOTTSWSA-N	209.083	1.925	50	50	BDGA	
O=C(CCl)Nc1cccc2nsnc12	13381905	AATZDKLUXUTSRL-UHFFFAOYSA-N	227.676	1.869	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)NCCCOC1CCOCC1	1875364468	RHUQCGYOOCIMDU-VIFPVBQESA-N	249.738	1.316	50	50	BDGA	
CC[C@H](NNC=O)[C@H](C)OCc1ccccc1	34279316	LNEGZKZTVLXZFX-AAEUAGOBSA-N	236.315	1.621	50	50	BDGA	in-vitro
O=C1CCc2cc(C(=O)Cl)ccc2N1	217040699	XTRBXXANGPXVJW-UHFFFAOYSA-N	209.632	1.950	50	50	BDGA	
CC[C@]1(C)CC(=O)N(CCCCl)C1=O	148764096	DXUJHMLLGXGKJU-SNVBAGLBSA-N	217.696	1.791	50	50	BDGA	
Cc1nc(N)sc1CCBr	95495597	WDYCYIDBMHDKEI-UHFFFAOYSA-N	221.123	1.971	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)Nc1ccccc1C(N)=O	4219028	XWCPEJWYBOULRM-ZCFIWIBFSA-N	226.663	1.351	50	50	BDGA	in-vitro
CN(C)/C=C(/C#N)C(=O)c1ccc(F)cc1	12408823	VPGVIOPQYFIUQQ-NTMALXAHSA-N	218.231	1.977	50	50	BDGA	
O=C(Cc1ccccc1)N/N=C/c1ccncc1	224831	RXIMTURHEAVGGT-LFIBNONCSA-N	239.278	1.774	50	50	BDGA	
O=C(OCc1ccccc1)SS(=O)(=O)O	1563287	AWEAWHZVGPHKAE-UHFFFAOYSA-N	248.281	1.859	50	50	BDGA	
Cc1occc1C(=O)NNC(=O)c1ccco1	4525806	DMKJQUHPICIFDS-UHFFFAOYSA-N	234.211	1.256	50	50	BDGA	
CN(C)P(=O)(NNc1ccccc1)N(C)C	101368576	MROJSBLBHWLTIZ-UHFFFAOYSA-N	242.263	1.834	50	50	BDGA	
N#C/C=C/CS(=O)(=O)c1ccccc1	5485272	FXCZUNVHUVEENU-SNAWJCMRSA-N	207.254	1.540	50	50	BDGA	
NC(=O)c1ccccc1CBr	82046758	CENMZLRJUVTBFU-UHFFFAOYSA-N	214.062	1.680	50	50	BDGA	
Cc1nn2cccnc2c1NC(=O)[C@@H](F)Cl	2325897957	NXOUJSPVAYTRJR-SSDOTTSWSA-N	242.641	1.511	50	50	BDGA	
C[C@H](Cl)C(=O)NCC[C@H](O)C(F)(F)F	717323642	PIODQPNWNWRTAZ-WHFBIAKZSA-N	233.617	1.043	50	50	BDGA	
C[C@@H](Cl)C(=O)Nc1ccc2nncn2c1	1875368336	JLKURRONMPVGFM-ZCFIWIBFSA-N	224.651	1.295	50	50	BDGA	
O=S(=O)(CBr)c1ccccc1	1712061	SKIMEKUYIQHJQV-UHFFFAOYSA-N	235.102	1.813	50	50	BDGA	
CSC(NCc1cccnc1)=C(C#N)C#N	4025511	WKTNWXRKRULRCA-UHFFFAOYSA-N	230.296	1.793	50	50	BDGA	
O[C@H](CBr)CCBr	2016741	PSSRAPMBSMSACN-BYPYZUCNSA-N	231.915	1.527	50	50	BDGA	in-vitro
C=CC(=O)NC[C@@]1(C)C[C@@H]1Br	952879980	BAEUTZJGLOBMRT-POYBYMJQSA-N	218.094	1.462	50	50	BDGA	
N#Cc1c(F)cccc1NC(=O)CCl	164144	QDQIGKUKBSXIMY-UHFFFAOYSA-N	212.611	1.875	50	50	BDGA	
CC(C)(C)C(=O)NNC(=O)c1ccccc1	8556101	XGPSTLRFHJVMTP-UHFFFAOYSA-N	220.272	1.494	50	50	BDGA	
Cc1cccc(OCc2ccc(C(=O)NN)o2)c1	2568599	BXCMRVLGZRWWSZ-UHFFFAOYSA-N	246.266	1.771	50	50	BDGA	
Cc1cnc([C@@H](C)NC(=O)CCl)o1	231741119	GAAOCGSCQAITAT-ZCFIWIBFSA-N	202.641	1.399	50	50	BDGA	
NN(C(=O)OCC(F)(F)F)C1CCOCC1	757131205	FBPQCYSZPHIIMO-UHFFFAOYSA-N	242.197	1.040	50	50	BDGA	
C[C@](O)(C(=O)NN=C1CCCC1)c1ccccc1	272299	FJMQLQSNYOAVBT-CQSZACIVSA-N	246.310	1.940	50	50	BDGA	
O=C(NNc1cccc(Cl)n1)C(F)(F)F	1399986	QRAYHZDCSNKYGQ-UHFFFAOYSA-N	239.584	1.740	50	50	BDGA	
CC(C)(C)OC(=O)N/N=C1/CCOC1	169620356	ALEJVMJLMPXMQV-YFHOEESVSA-N	200.238	1.287	50	50	BDGA	
N#CCc1ccc(NC(=O)CCl)cc1	4206316	PZQDQLNOJDDHMM-UHFFFAOYSA-N	208.648	1.930	50	50	BDGA	in-vitro
CC(C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	278701	YOMQUOVFBREBBW-NSHDSACASA-N	232.283	1.990	50	50	BDGA	
C[Si](C)(C)O[C@@H]1CCNC(=O)CC1	601013419	XMMCATFRFXZYQE-QMMMGPOBSA-N	201.342	1.507	50	50	BDGA	
C=CCN(CC=C)S(=O)(=O)CCl	38235736	ODJALXRPGWDRGO-UHFFFAOYSA-N	209.698	1.187	50	50	BDGA	
NNC(=O)c1ccc(Cl)c(Br)c1	2562410	MPLUVSFWRCWHFP-UHFFFAOYSA-N	249.495	1.706	50	50	BDGA	in-vitro
O=C(NN=Cc1ccc(O)cc1)c1cccnc1	254566483	ILQGNUZMHMAUIR-UHFFFAOYSA-N	241.250	1.551	50	50	BDGA	
N#CC(NC(=O)CCl)=C(Cl)Cl	1225205	XLBHIDXDGGJQJZ-UHFFFAOYSA-N	213.451	1.512	50	50	BDGA	
CCOc1ccc(C(=O)NN)cc1OCC	2574322	UXWHTJPMGMMDNV-UHFFFAOYSA-N	224.260	1.088	50	50	BDGA	
OB(O)c1cccc(Oc2cccc(F)c2)c1	170002715	NCFWKTGQSRNYTG-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	
O=C=NC[C@H](CC(=O)O)c1ccccc1	757188736	PMCPPFVLUPDAAS-JTQLQIEISA-N	205.213	1.581	50	50	BDGA	
CN(C)c1ccc([C@@H]2N[C@H](CCl)CO2)cc1	19300659	OFPHRPHIISLCLQ-ZYHUDNBSSA-N	240.734	1.978	50	50	BDGA	
C[C@@H](Cl)C(=O)NCc1cnc2sccn12	1875368122	SCOFXIVOFSGOTM-ZCFIWIBFSA-N	243.719	1.639	50	50	BDGA	
O=C(COc1ccccc1)N/N=C/c1ccco1	261290	AFXVEBMNBPILID-NTEUORMPSA-N	244.250	1.809	50	50	BDGA	
CNC(=O)C(C#N)=Cc1ccccc1OC	1857524737	ADJPXLRMLRBSEV-UHFFFAOYSA-N	216.240	1.348	50	50	BDGA	
COC(C)(C)[C@@H](Br)C(=O)O	2044346	OJPAPXGHVASXJT-BYPYZUCNSA-N	211.055	1.260	50	50	BDGA	
CCCC(=O)NNC(=O)c1ccccc1OC	8569439	AHGOAXINYVNGFU-UHFFFAOYSA-N	236.271	1.256	50	50	BDGA	
CC1(C)CC(NC(=O)CCl)CC(C)(C)N1[O]	100739579	FBSZMWFULOUMCP-UHFFFAOYSA-N	247.746	1.709	50	50	BDGA	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccco1	75882	WSQKMSDKNFZDNH-LBPRGKRZSA-N	244.250	1.950	50	50	BDGA	in-vitro
O=C(CN1CCCC1)NNc1ccc(F)cc1	873924821	FVXQLCQMDCCRKO-UHFFFAOYSA-N	237.278	1.365	50	50	BDGA	
C[C@H](Br)C(=O)C(F)(F)F	4329275	MHSGADWWPRDQNH-REOHCLBHSA-N	204.973	1.901	50	50	BDGA	in-vitro
Cn1c2ccccc2c2cc(B(O)O)ccc21	169919502	BVTOJARMLGAXGS-UHFFFAOYSA-N	225.056	1.011	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCCC[C@H]1c1ncon1	1875363524	HEIOAZZUEOCXMU-SFYZADRCSA-N	243.694	1.751	50	50	BDGA	
O=P(CCO)(c1ccccc1)c1ccccc1	300803	NDMGUWSVXJYYBT-UHFFFAOYSA-N	246.246	1.993	50	50	BDGA	
O=C(OC(=O)C(F)(F)F)C(F)(F)F	59699251	QAEDZJGFFMLHHQ-UHFFFAOYSA-N	210.029	1.181	50	50	BDGA	in-vitro
O=C1Cn2c(cc3ccccc32)C(=O)O1	584880241	QBBPNPLZOCHBSW-UHFFFAOYSA-N	201.181	1.338	50	50	BDGA	
O=Bc1ccc(C(=O)Cl)c(Cl)c1	169806978	GUMYQGOUIRGLNO-UHFFFAOYSA-N	200.817	1.394	50	50	BDGA	
NNC(=O)c1c(O)ccc2ccccc12	1693060	AVOTZUQUEPHOHQ-UHFFFAOYSA-N	202.213	1.149	50	50	BDGA	
C[C@]1(CCl)NC(=O)c2ccccc2N1	2577573	ZIQWEDBPPPUUFM-SNVBAGLBSA-N	210.664	1.797	50	50	BDGA	
C[C@@H](Cl)C(=O)NCc1ccc2c(c1)OCO2	3319652	GRPAJUMMFAXDTL-SSDOTTSWSA-N	241.674	1.659	50	50	BDGA	
CN(C)/C=C(C#N)/C=C/C(=O)C(F)(F)F	4716586	TUGAEQANYNUJPL-FDTUMDBZSA-N	218.178	1.643	50	50	BDGA	
N#CCCCS(=O)(=O)NCC(Cl)Cl	585114507	GAPOKWZZTDMIGK-UHFFFAOYSA-N	245.131	1.013	50	50	BDGA	
Cc1ccc(-c2ccccc2)c(B(O)O)c1	757193838	SLUUTJCSUPBPGF-UHFFFAOYSA-N	212.057	1.342	50	50	BDGA	
O=C(N/N=C/c1ccncc1)c1ccc(F)cc1	253926	CQBOIYPHKXALMH-CXUHLZMHSA-N	243.241	1.985	50	50	BDGA	
O=C(N/N=C/c1cccs1)c1cccnc1	28614	HRZHCBHVTXQIDQ-MDWZMJQESA-N	231.280	1.907	50	50	BDGA	
CCNC(=O)NNc1c(C)cccc1C	2166322	UDMXIAPJFWRZTP-UHFFFAOYSA-N	207.277	1.949	50	50	BDGA	
CC[C@@H]1CCc2c(C(=O)NN)csc2C1	6118996	KCYUHNSKVLQILF-SSDOTTSWSA-N	224.329	1.867	50	50	BDGA	
Nc1c(C(=O)Cl)cccc1[N+](=O)[O-]	144447604	DFCTXLDYBJXCDH-UHFFFAOYSA-N	200.581	1.556	50	50	BDGA	
O=C(CCl)Nc1ccccc1C(=O)O	507600	OKAPEGBSNZHDIW-UHFFFAOYSA-N	213.620	1.562	50	50	BDGA	in-vitro
Cc1ccccc1/C=N\NC(=O)c1csnn1	12955502	DCHJBOSLQRMIFB-SDQBBNPISA-N	246.295	1.610	50	50	BDGA	
OB(O)c1ccc(-c2cccs2)s1	169745550	PPHSULIZZOEBDD-UHFFFAOYSA-N	210.088	1.156	50	50	BDGA	in-vitro
CCOC(=O)[C@@H](Cc1ccccc1)N=C=O	5227313	LHLIGPDDSKJRQN-LLVKDONJSA-N	219.240	1.497	50	50	BDGA	
OB(O)c1cccc([C@H]2CCC23CCC3)c1	1875389833	RBZFGIKCOFOLLG-GFCCVEGCSA-N	216.089	1.414	50	50	BDGA	
COC[C@@H](NC(=O)[C@@H](C)Cl)c1ccccn1	1875369900	PEJLBCRLBNBJNA-PSASIEDQSA-N	242.706	1.513	50	50	BDGA	
O=C(CCl)NCC(=O)c1ncccc1Cl	1875378116	VUSNAUCRPBEASD-UHFFFAOYSA-N	247.081	1.273	50	50	BDGA	
C#CCCN(C(=O)CCl)C1CCOCC1	1875367281	MGRSWOQUYCIKKY-UHFFFAOYSA-N	229.707	1.256	50	50	BDGA	
NNC(=O)c1ccccc1OC(F)(F)F	122571	CVSKRXMBFVFYJW-UHFFFAOYSA-N	220.150	1.189	50	50	BDGA	
O=C(O)c1ccc(C(=O)CBr)cc1	2559794	ZMHLKKVZTJBBHK-UHFFFAOYSA-N	243.056	1.962	50	50	BDGA	biogenic,in-vitro
C=CCNC(=O)CC(=O)NN=C1CCCCC1	4954174	STTSTBQZSOKNFX-UHFFFAOYSA-N	237.303	1.115	50	50	BDGA	
N#Cc1ccc(NC(=O)NCCCl)cc1	1718875	DMHSQTUNXMNMTH-UHFFFAOYSA-N	223.663	1.919	50	50	BDGA	in-vitro
Cc1ccc(-c2ccc(B(O)O)cc2)cc1	169844710	UVCRLTMCDUXFSL-UHFFFAOYSA-N	212.057	1.342	50	50	BDGA	in-vitro
Cc1ccc2nc(C)cc(C(=O)NN)c2c1	6279183	AJNBKRDYKNEHSI-UHFFFAOYSA-N	215.256	1.455	50	50	BDGA	in-vitro
O=c1[nH]c(CCl)nc2ccsc12	3277969	OYXDNHXAYQNSHE-UHFFFAOYSA-N	200.650	1.723	50	50	BDGA	in-vitro
CCC(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1	50118	HERMOQICANQEMJ-QWRGUYRKSA-N	232.283	1.348	50	50	BDGA	
O=C(CBr)c1cccnc1	158589	IQMGXSROJBYCLS-UHFFFAOYSA-N	200.035	1.659	50	50	BDGA	in-vitro
O=[N+]([O-])c1ccc(OCCCl)c(CO)c1	95635509	LUQGPOJLYPDIGI-UHFFFAOYSA-N	231.635	1.705	50	50	BDGA	
CC(C)OC(=O)/C(C#N)=C\c1ccnc(O)c1	585135765	AQNFXILFSULMSZ-YHYXMXQVSA-N	232.239	1.646	50	50	BDGA	
OB(O)c1cccc2c1Oc1ccccc1S2	169794930	IIENVBUXFRSCLM-UHFFFAOYSA-N	244.080	1.623	50	50	BDGA	in-vitro
OB(O)c1cc(Cl)ccc1C(F)(F)F	169748061	ILPIBSAMAZDGRC-UHFFFAOYSA-N	224.374	1.039	50	50	BDGA	
O=C(CCl)N1CCc2cc(Cl)nnc2C1	1875391730	ZVCYALMEZOTSNJ-UHFFFAOYSA-N	246.097	1.254	50	50	BDGA	
CC(C)N1CC[C@H](Br)C1=O	72266806	CHQRTHCYGHJYQY-LURJTMIESA-N	206.083	1.391	50	50	BDGA	in-vitro
Cc1nnsc1[C@@H](C)NC(=O)[C@@H](F)Cl	2325898695	VJSVCEHWQGOWSG-AWFVSMACSA-N	237.687	1.558	50	50	BDGA	
O=C(CCl)n1cc(Br)cn1	2549420	XJOFZWMQFCNCHY-UHFFFAOYSA-N	223.457	1.525	50	50	BDGA	
CC[C@@H](Nc1cccc(C)c1)C(=O)NN	66324340	POOICFPNCNQPSZ-SNVBAGLBSA-N	207.277	1.175	50	50	BDGA	
C=CCOc1ccc(/C=N/NC(N)=O)cc1	4372860	MVIYCPAKGBXGIO-MDWZMJQESA-N	219.244	1.254	50	50	BDGA	
O=C1c2ccccc2O[C@@H](CCCl)N1O	160896	DPMAEXIEYHXXRK-VIFPVBQESA-N	227.647	1.865	50	50	BDGA	in-vitro
Cn1nc2c(c1CNC(=O)CCl)CCCC2	1875366161	WYZKYGQBBJLCLH-UHFFFAOYSA-N	241.722	1.154	50	50	BDGA	
C[C@H](Cl)C(=O)NCc1ccc2c(c1)OCO2	3319650	GRPAJUMMFAXDTL-ZETCQYMHSA-N	241.674	1.659	50	50	BDGA	
COc1ccc(/C=C(/C#N)C(N)=O)cc1OC	12340153	UHGNGGISEFEZHE-UITAMQMPSA-N	232.239	1.096	50	50	BDGA	in-vitro
O=Bc1cc(Cl)cc(C(=O)Cl)c1	169806984	NNGSOHKTJKSZCB-UHFFFAOYSA-N	200.817	1.394	50	50	BDGA	
O=C/C(Cl)=C(\Br)C(=O)O	5494293	XGQFEGPWMVWRQE-NSCUHMNNSA-N	213.414	1.115	50	50	BDGA	
O=C(CCl)N[C@H]1CC[C@](O)(C(F)(F)F)C1	1875375903	UIRPHVBGNXFOQQ-CAHLUQPWSA-N	245.628	1.187	50	50	BDGA	
Cc1cc(O[C@@H](C)C(=O)NN)ccc1Cl	374953	IGKBZGMXZGEDDJ-ZETCQYMHSA-N	228.679	1.406	50	50	BDGA	in-vitro
CCOC(=O)/C(C#N)=C\c1ccncc1	4695426	XLQQQEHSYHZOLQ-YFHOEESVSA-N	202.213	1.552	50	50	BDGA	in-vitro
CCOC(=O)c1nc(NNC(C)=O)sc1C	529190	JRIGEBBJVSIXCD-UHFFFAOYSA-N	243.288	1.091	50	50	BDGA	
CN(C[C@]12CCC[C@H]1OCC2)C(=O)CCl	687502374	MHQSFVJZRRZEIS-MWLCHTKSSA-N	231.723	1.643	50	50	BDGA	
BrCCCN1CCCCO1	91305141	FQKXHZFKTCQTPW-UHFFFAOYSA-N	208.099	1.799	50	50	BDGA	in-vitro
C=C(C)C(=O)OC[Si](C)(OCC)OCC	196682448	GXDZOSLIAABYHM-UHFFFAOYSA-N	232.352	1.790	50	50	BDGA	
CC(C)COc1cc(B(O)O)cc(Cl)c1F	169955453	JFJZOURFXZQHDI-UHFFFAOYSA-N	246.474	1.194	50	50	BDGA	
C=CC(=O)N1CC[C@@]2(C)[C@@H](C1)[C@H]2Br	952879697	KUDRRBGXQCQSNE-SFGNSQDASA-N	244.132	1.804	50	50	BDGA	
CSC1=C(C#N)C2(CCCC2)C(C#N)=C(N)N1	4102648	VLECBPCVENZTPF-UHFFFAOYSA-N	246.339	1.942	50	50	BDGA	
O=S(=O)(S)c1cccc(Cl)c1	6862023	IKVIVYWWFDZLLD-UHFFFAOYSA-N	208.691	1.959	50	50	BDGA	
CN1CCCC[C@@H]1C(=O)N/N=C/c1ccoc1	5044278	NOSOYIAXGSJGDA-KAQJVSAMSA-N	235.287	1.214	50	50	BDGA	
CCO[Si](C)(CCCOC[C@H]1CO1)OCC	169808162	OTARVPUIYXHRRB-NSHDSACASA-N	248.395	1.937	50	50	BDGA	
CN1CCC(=NNC(=O)c2ccco2)CC1	55072017	GLCHZLABBRRSFK-UHFFFAOYSA-N	221.260	1.091	50	50	BDGA	
CC(=O)NNC(=S)Nc1cc(C)cc(C)c1	6399855	KTYNTBINGOIUCA-UHFFFAOYSA-N	237.328	1.641	50	50	BDGA	
N#C/C(=C\c1c(Cl)cncc1Cl)C(N)=O	1772572674	VPDMQJZSOSUTSY-ORCRQEGFSA-N	242.065	1.781	50	50	BDGA	
O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)O1	100405843	CVKJJLKYLJDWDM-QMMMGPOBSA-N	224.643	1.972	50	50	BDGA	
CCOc1cc(B(O)O)c(Cl)cc1Cl	169746406	VVHOCDCNPFIXLE-UHFFFAOYSA-N	234.875	1.072	50	50	BDGA	in-vitro
O=C(CCl)n1c(=O)sc2ccccc21	5739980	RAIJOFHCWPZYLE-UHFFFAOYSA-N	227.672	1.942	50	50	BDGA	
C/C(C#N)=C\CN1C(=O)[C@@H](C)[C@@H](C)C1=O	1775986627	BYXQLEZNZFTHSU-VXJQEGAJSA-N	206.245	1.097	50	50	BDGA	
C/C(=N/NC(=O)c1cccnc1)c1ccccn1	4992110	UZXMPYRNPLYGNJ-YBEGLDIGSA-N	240.266	1.631	50	50	BDGA	
NNC(=O)c1ccc(Br)cc1F	73638265	QQDZLNCOEBLRNK-UHFFFAOYSA-N	233.040	1.192	50	50	BDGA	
CSc1ccc(B(O)O)c(C(F)(F)F)c1	169903834	CIDYXSCTMDUKPX-UHFFFAOYSA-N	236.023	1.107	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)NC(C)(C)c1ncccn1	1875375543	DGGSQUZRCQXKIL-ZETCQYMHSA-N	227.695	1.455	50	50	BDGA	
C[C@@H](Cl)C(=O)NCc1nnc(C2CC2)o1	1875377499	FYKWMNRFPWJPBS-RXMQYKEDSA-N	229.667	1.191	50	50	BDGA	
COc1cccc(CO)c1NC(=O)CCl	2080383978	KVCTZWDDLUEAET-UHFFFAOYSA-N	229.663	1.365	50	50	BDGA	
C/C(CC(C)(C)O)=N\NC(=O)c1ccncc1	71773407	YDTIOZXBVWXUOI-NTEUORMPSA-N	235.287	1.348	50	50	BDGA	
NNC(=O)c1ccc(F)c(Br)c1	74938147	FQVHUXLJUAYVIU-UHFFFAOYSA-N	233.040	1.192	50	50	BDGA	in-vitro
COc1cc(CC(=O)Cl)cc(OC)c1O	263624361	PSOHYWKCZMUXTD-UHFFFAOYSA-N	230.647	1.717	50	50	BDGA	
COc1ccc(/C=C(\C#N)C(=O)O)cc1C	2546564	WJAACEDNUIAPRI-UXBLZVDNSA-N	217.224	1.995	50	50	BDGA	
CC(C)(CCl)C(=O)N1CCC[C@@H](N)C1	642886469	UZLPWEJXBWMWPP-MRVPVSSYSA-N	218.728	1.201	50	50	BDGA	
O=CNNc1ccc(Br)cc1	34133970	WVBXPRJPBAZCBU-UHFFFAOYSA-N	215.050	1.522	50	50	BDGA	
CCCCOc1cc(B(O)O)ccc1Cl	169934355	CCCPSNXXLWLQHQ-UHFFFAOYSA-N	228.484	1.199	50	50	BDGA	in-vitro
N#CC(C#N)=C1NN=NN1c1ccccc1	5731447	WTXCEBIUSIMTHL-UHFFFAOYSA-N	210.200	1.637	50	50	BDGA	
Nc1ccccc1SC[C@H](O)CCl	96027605	QTXVBXZQPMYMEJ-SSDOTTSWSA-N	217.721	1.961	50	50	BDGA	
CC(C)(N)C(=O)NC[C@@]1(C)C[C@H]1Br	1118754429	LAFWRMWYZJTWDZ-HZGVNTEJSA-N	249.152	1.013	50	50	BDGA	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccco1	75880	WSQKMSDKNFZDNH-GFCCVEGCSA-N	244.250	1.950	50	50	BDGA	in-vitro
NNC(=O)COc1ccc(Cl)cc1Cl	43842	OEYOIIKYUVBUJN-UHFFFAOYSA-N	235.070	1.362	50	50	BDGA	in-vitro
OB(O)c1c(F)cccc1Oc1ccccc1	169748088	APDIBTAEVRXEAA-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	
CC(=O)NNC(=O)Nc1ccc(C)c(Cl)c1	3086065	SYSVGNDEJWRUCB-UHFFFAOYSA-N	241.678	1.821	50	50	BDGA	
C[C@H](Cl)C(=O)NCC1=CCCOC1	306828404	ILYLYEUWWQLAMX-ZETCQYMHSA-N	203.669	1.077	50	50	BDGA	
OB(O)c1c(Cl)cccc1C(F)(F)F	169747967	ARGDVPMTQZNUBG-UHFFFAOYSA-N	224.374	1.039	50	50	BDGA	in-vitro
COc1ccc(C(=O)/C(C#N)=C/N(C)C)cc1	33381558	UHFQKFDTQWMNFZ-PKNBQFBNSA-N	230.267	1.847	50	50	BDGA	in-vitro
O=C(CCl)N1CO[C@@H]2CCCC[C@H]2C1	1875377442	DSHYUQLCHWEPJP-DTWKUNHWSA-N	217.696	1.600	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CC(COC(F)F)C1	1875375828	JMUJERKXSOCYQD-RXMQYKEDSA-N	227.638	1.311	50	50	BDGA	
C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)NN	6249400	GIIYFSONVGCEJW-LURJTMIESA-N	248.204	1.463	50	50	BDGA	
N#CC1=C(C#N)SC(C#N)=C(C#N)S1	94199	NKIPKZDOGWGPNS-UHFFFAOYSA-N	216.250	1.984	50	50	BDGA	in-vitro
CCOC(=O)[C@@H](Cl)C(=O)C(F)(F)F	2390290	YVWUNJVPOCYLIM-VKHMYHEASA-N	218.558	1.288	50	50	BDGA	in-vitro
CC(C)(C)OC(=O)CCC(=O)OCCl	59703088	ZEHMWPBRDVLBMH-UHFFFAOYSA-N	222.668	1.848	50	50	BDGA	
O=C(Cl)c1cccc(C(=O)Cl)n1	85814258	GWHOGODUVLQCEB-UHFFFAOYSA-N	204.012	1.840	50	50	BDGA	in-vitro
CO[Si](C)(CCCOC[C@H]1CO1)OC	169806489	WHGNXNCOTZPEEK-VIFPVBQESA-N	220.341	1.157	50	50	BDGA	in-vitro
N#CCCN(C[C@@H]1CCOC1)C(=O)CCl	1875363475	CUDVVDFCEUSBFX-VIFPVBQESA-N	230.695	1.004	50	50	BDGA	
OB(O)c1ccc(Cl)cc1N1CCCCC1	169934618	IPRIUKMASVKFFN-UHFFFAOYSA-N	239.511	1.010	50	50	BDGA	
O=C(CCl)Nc1cccc([N+](=O)[O-])c1	156619	UCBHRCPNMDOUMV-UHFFFAOYSA-N	214.608	1.772	50	50	BDGA	in-vitro
O=C(CBr)c1ccc(O)cc1	1849944	LJYOFQHKEWTQRH-UHFFFAOYSA-N	215.046	1.970	50	50	BDGA	in-vitro
NC(=O)N/N=C/c1c[nH]c2ccccc12	203128	AIKKFQKQKUGAQA-AWNIVKPZSA-N	202.217	1.170	50	50	BDGA	
Cc1nc(Cc2ccccc2)sc1C(=O)NN	36108818	AEUNQLJQOQDNRX-UHFFFAOYSA-N	247.323	1.646	50	50	BDGA	
COc1ccc(/C=C(\C#N)C(=O)O)cc1O	5670792	VVHLXBQHHCDWNZ-XBXARRHUSA-N	219.196	1.392	50	50	BDGA	
CC1([C@@H]2COCCN2C(=O)CCl)CC1	1875374624	ANGJCCTVJUNSON-QMMMGPOBSA-N	217.696	1.253	50	50	BDGA	
CCOC(=O)[C@H]1CCCN(C(=O)CCl)C1	3268028	QWBCFYAGERCGJG-QMMMGPOBSA-N	233.695	1.027	50	50	BDGA	
ICCC1COC1	215166113	UBVFXMJKTDGOFX-UHFFFAOYSA-N	212.030	1.458	50	50	BDGA	
Cc1ccc(NC(=O)CBr)nc1	5659474	XETLFBQZVRNXDM-UHFFFAOYSA-N	229.077	1.723	50	50	BDGA	
COC(=O)[C@@H](CCSC)N=C=S	2528098	HNBACGFGPNFPAF-ZCFIWIBFSA-N	205.304	1.384	50	50	BDGA	in-vitro
Cc1ccc(/C=C(\C#N)C(N)=O)c(C)c1	12341358	DZKYWLVRMBVISK-IZZDOVSWSA-N	200.241	1.696	50	50	BDGA	
C[C@@H]1CCC[C@H]1N(CCO)C(=O)CCl	1875381181	MOTVDJPRCMMPEU-RKDXNWHRSA-N	219.712	1.235	50	50	BDGA	
CCCNC(=O)/C(C#N)=C\c1nc(C)c(C)[nH]1	585135906	HVTLMDVLZBQXCT-POHAHGRESA-N	232.287	1.460	50	50	BDGA	
O=C(N/N=C/c1cccs1)[C@@H]1CCCO1	1740118	DFUFOHVRWXRVBA-FKVCUQLRSA-N	224.285	1.377	50	50	BDGA	
C[C@@H](Oc1c(Cl)cccc1Cl)C(=O)NN	6824039	CIGYKZDNSRTXJJ-RXMQYKEDSA-N	249.097	1.751	50	50	BDGA	
O=c1[nH]c2ccc(F)cc2c(=O)n1CCCl	49551675	UXVQMHKKDMCOEV-UHFFFAOYSA-N	242.637	1.068	50	50	BDGA	
COc1cc2c(cc1OC)C(=O)OC2=O	85968744	IMSDRBDUANUSRL-UHFFFAOYSA-N	208.169	1.014	50	50	BDGA	in-vitro
CC[C@H](CO)NC(=O)[C@H]1CCCSS1	1875388186	PTBDQHBJQVPLCX-HTQZYQBOSA-N	235.374	1.417	50	50	BDGA	
O=C1OC(=O)[C@@H]2[C@H]1[C@H]1C=C3[C@H]4CC[C@@H](C4)[C@]32C1	101140178	MJZLHWNFLMYPLB-PILUUEDCSA-N	230.263	1.678	50	50	BDGA	
Cc1cc(C(F)F)n2nc(C(=O)Cl)nc2n1	4293936	QVVKESJWRYJWAH-UHFFFAOYSA-N	246.604	1.749	50	50	BDGA	
CC[C@H]1CCc2cc(C(=O)NN)sc2C1	19737274	QESAJTHCEAJZJB-ZETCQYMHSA-N	224.329	1.867	50	50	BDGA	
COC(=O)c1cc(SC#N)ccc1N	305288	RGPZBRDJSOXWJT-UHFFFAOYSA-N	208.242	1.629	50	50	BDGA	in-vitro
O=S(=O)(NCCCl)c1ccccc1	2567212	FXJJRTVXGFTULP-UHFFFAOYSA-N	219.693	1.204	50	50	BDGA	
CCCCCCCc1ccc(B(O)O)cc1	169746675	RFBUNLZEBLXJKX-UHFFFAOYSA-N	220.121	1.879	50	50	BDGA	in-vitro
O=C(CCl)Nc1ccc(F)cc1[N+](=O)[O-]	5516863	UBKHLGMBPHJNAT-UHFFFAOYSA-N	232.598	1.911	50	50	BDGA	
OB(O)c1ccc(SCc2ccccc2)cc1	169747455	ALXFJPATEOZQPF-UHFFFAOYSA-N	244.124	1.659	50	50	BDGA	
Cc1ccccc1C(=O)NNC(=O)C(C)C	146449	IQEGXVQTMVJSHK-UHFFFAOYSA-N	220.272	1.412	50	50	BDGA	
COc1cccc([P@](=O)(O)c2ccccc2)c1	398428	AORUJVSRIBKNNF-UHFFFAOYSA-N	248.218	1.916	50	50	BDGA	
CC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1	4955422	QFHVNDCNXZUWFJ-XFFZJAGNSA-N	221.216	1.455	50	50	BDGA	
OB(O)Cc1cccc(OCc2ccccc2)c1	170001901	AZQNAJGQOWZSHX-UHFFFAOYSA-N	242.083	1.820	50	50	BDGA	
O=C(CCl)NCCC(=O)N1CCCCCC1	258886402	FFPCKBIXXNOOSO-UHFFFAOYSA-N	246.738	1.134	50	50	BDGA	
Cc1cccc(Oc2cccc(B(O)O)c2)c1	170016970	IVQBYLLHXHWOGA-UHFFFAOYSA-N	228.056	1.467	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCOC[C@@]1(C)C1CC1	725694646	MWFIFWFYNZNFEM-KWQFWETISA-N	231.723	1.641	50	50	BDGA	
NNC(=O)c1csc(-c2ccccc2)n1	109906	UOOVLEVHLHNGPC-UHFFFAOYSA-N	219.269	1.414	50	50	BDGA	in-vitro
C[C@@H](Br)C(=O)NC(C)(C)C	6032475	ASGVEEBOYNWWJR-RXMQYKEDSA-N	208.099	1.685	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)NC[C@@H]1CC12CCOCC2	1875368208	YRGDTOIJUWJHNR-BDAKNGLRSA-N	231.723	1.547	50	50	BDGA	
CC(=O)NN=C1CC(C)(C)NC(C)(C)C1	40494	OAAUYSPFTODVTC-UHFFFAOYSA-N	211.309	1.419	50	50	BDGA	
CCN(C[C@@H](C)C#N)C(=O)[C@@H](F)Cl	2325820717	PHHNOMXMLPFDNW-NKWVEPMBSA-N	206.648	1.529	50	50	BDGA	
CCOC(=O)/C(C#N)=C/c1nccs1	4542847	BBYLFDLQPYHBQI-FNORWQNLSA-N	208.242	1.613	50	50	BDGA	
CCn1[nH]c(=NC(=O)[C@H](F)Cl)cc1C1CC1	2325898726	XCNJCZRMNJZABE-VIFPVBQESA-N	245.685	1.675	50	50	BDGA	
CCCNC(=O)/C(C#N)=C\c1ccns1	585136174	USCYTWMAZSWJKJ-VURMDHGXSA-N	221.285	1.576	50	50	BDGA	
O=c1[nH]c2ccccc2n1CCCCl	2168830	GUMPYDGUYXOYML-UHFFFAOYSA-N	210.664	1.959	50	50	BDGA	in-vitro
Cc1cccc(NC(=O)CBr)n1	5659701	MUPNOGQYWBUGKX-UHFFFAOYSA-N	229.077	1.723	50	50	BDGA	in-vitro
CCn1ccnc1[P@](=O)(O)c1ccccc1	189226	VZOKLHCZIJPZMM-UHFFFAOYSA-N	236.211	1.124	50	50	BDGA	
CN1CCOc2cc(C(=O)Cl)ccc21	4272065	PXEFRDHZTILJRB-UHFFFAOYSA-N	211.648	1.894	50	50	BDGA	
CNC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	104113049	YVNYAXJVSWMIMR-UHFFFAOYSA-N	241.159	1.221	50	50	BDGA	
O=S(=O)(O)c1ccc(CCCl)cc1	3882844	ZVDGSGOXAMGDGH-UHFFFAOYSA-N	220.677	1.715	50	50	BDGA	
COc1cccc([C@@H](C)NC(=O)[C@@H](F)Cl)n1	2325898631	OWBURGHVYZYNFY-HZGVNTEJSA-N	246.669	1.802	50	50	BDGA	
CCOC(=O)CSSCC(=O)OCC	1684957	NBOJYJYURAPWCH-UHFFFAOYSA-N	238.330	1.494	50	50	BDGA	
BrCCCN1CCOCC1	39375565	AFUWTOMPIDVMSJ-UHFFFAOYSA-N	208.099	1.104	50	50	BDGA	
COCCCNC(=O)[C@](C)(Cl)CCl	71774035	CJIJEKGOAJHGKZ-MRVPVSSYSA-N	228.119	1.375	50	50	BDGA	
Cc1occc1C(=O)NNC(=S)NC(C)C	6825205	RBELPSNVPWYCKJ-UHFFFAOYSA-N	241.316	1.105	50	50	BDGA	
CC(C)C[C@@H]1COCC[C@H]1NC(=O)CCl	1875376612	DBJHRWPVTDGDTE-NXEZZACHSA-N	233.739	1.793	50	50	BDGA	
O=S1(=O)[C@H]2CCCC[C@H]1[C@H](Cl)[C@H]2Cl	230114750	XCLTYUCRBZFSLL-XAMCCFCMSA-N	243.155	1.941	50	50	BDGA	
OB(O)c1ccccc1Oc1ccccc1F	169934786	OOFYYQYVBIBURU-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	
CC(C)C(=O)NNC1=CC(=O)CC(C)(C)C1	23279787	LSRMCJCYAIHZIF-UHFFFAOYSA-N	224.304	1.536	50	50	BDGA	
CCc1ccc(NC(=S)NNC=O)cc1	6283934	ZLMFTQSMYTUDLD-UHFFFAOYSA-N	223.301	1.196	50	50	BDGA	
C[C@H](Cl)C(=O)NC[C@@H](C)N(C)C1CC1	218348000	YUEUIVRRNHXOJQ-SFYZADRCSA-N	218.728	1.213	50	50	BDGA	
Cc1cnn([C@H](C)[C@@H](C)NC(=O)[C@H](F)Cl)c1	2325901644	PROCZMQWVAAIHD-HLTSFMKQSA-N	247.701	1.792	50	50	BDGA	
O=C(CBr)Nc1ccc(O)cc1	27629988	OJNJOPYYZIFWMX-UHFFFAOYSA-N	230.061	1.726	50	50	BDGA	
Cc1cc(C)nc(N2C[C@@H](CCl)OC2=O)n1	64864431	WANYDHPJNOXTDI-MRVPVSSYSA-N	241.678	1.657	50	50	BDGA	
NN(C(=O)c1ccccc1)c1ccccn1	584661163	LVOLWAPXPAWSFO-UHFFFAOYSA-N	213.240	1.602	50	50	BDGA	
C=C(C)C(=O)OC[Si](C)(OC)OC	169747771	YBUIRAZOPRQNDE-UHFFFAOYSA-N	204.298	1.010	50	50	BDGA	
O=C(NCC(Cl)Cl)c1nccs1	837646960	YUPVVGVKXRCMHI-UHFFFAOYSA-N	225.100	1.677	50	50	BDGA	
Cc1ccc(CCNC(=O)CCl)cc1	32920031	ILHUDSLTEWBDLU-UHFFFAOYSA-N	211.692	1.893	50	50	BDGA	
Cn1ccnc1C1=CCN(C(=O)CCl)CC1	1875386964	HGXPLMHUJDBLRZ-UHFFFAOYSA-N	239.706	1.275	50	50	BDGA	
C[C@H](Cl)C(=O)N(C)Cc1ccco1	12364795	AVKITXNDWQKXND-ZETCQYMHSA-N	201.653	1.865	50	50	BDGA	
COc1ccc(N(C)C(=O)[C@H](C)Cl)cn1	1875364928	YGBLSGMTUXVFLV-ZETCQYMHSA-N	228.679	1.680	50	50	BDGA	
C[C@H]1CCc2cc(C(=O)NN)sc2C1	19737272	XVDAMHAXHYXHHW-LURJTMIESA-N	210.302	1.476	50	50	BDGA	in-vitro
CN1C(CN)=CC=C[C@H]1Br	228956965	TWCFTMRWDQOOLE-ZETCQYMHSA-N	203.083	1.052	50	50	BDGA	
CCOC(=O)N(CCCl)C(=O)C(C)C	1709559	QSXHEGNDCCVKAF-UHFFFAOYSA-N	221.684	1.866	50	50	BDGA	
O=C1ON=C(CCl)/C1=C\c1ccc(O)cc1	34926745	NRXWYEXYHHJRFQ-WEVVVXLNSA-N	237.642	1.927	50	50	BDGA	
NNC(=O)Cc1ccc(OC(F)(F)F)cc1	144654000	VYIDYFSEDRZNIM-UHFFFAOYSA-N	234.177	1.118	50	50	BDGA	
Cc1ccc(O[C@@H](C)C(=O)NN)c(C)c1	6271751	KPSFMYYHYJMRAG-VIFPVBQESA-N	208.261	1.061	50	50	BDGA	in-vitro
NC(=O)NN=C1C2CC3CC(C2)CC1C3	284248	FGCLPJDRGFEIPU-UHFFFAOYSA-N	207.277	1.467	50	50	BDGA	
O=[N+]([O-])C(CCl)(CCl)CCl	1609938	DRNRNUICWWGRET-UHFFFAOYSA-N	206.456	1.718	50	50	BDGA	
Cc1nn(C)cc1C(=O)NNc1ccccc1	113414987	YFVHOVOQBHRMSZ-UHFFFAOYSA-N	230.271	1.485	50	50	BDGA	
O=C1OC(=O)[C@]23CC=CC[C@@]12CC1(CC1)C3	104291784	CHLUUHUVVOOFFI-CHWSQXEVSA-N	218.252	1.967	50	50	BDGA	
NNC(=O)c1cc(C2CC2)nc2ccccc12	246632	LOSFWVILZWCLLS-UHFFFAOYSA-N	227.267	1.716	50	50	BDGA	in-vitro
C/C(C#N)=C\CN1CCN2CCCC[C@@H]2C1	952992989	DRLGCCLFVUXWDV-YQJFHSMKSA-N	219.332	1.626	50	50	BDGA	
OB(O)CCCCCCBr	169747454	BGHGWFMYADQHHC-UHFFFAOYSA-N	208.892	1.415	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)N1CCOC[C@]1(C)C1CC1	725694648	MWFIFWFYNZNFEM-LDYMZIIASA-N	231.723	1.641	50	50	BDGA	
OB(O)c1ccc(-c2cccs2)cc1	169807928	DJEDGSABTJJBGN-UHFFFAOYSA-N	204.059	1.095	50	50	BDGA	
Cc1occc1C(=O)N/N=C/c1ccco1	28541	ZOAGYJKTNKLKAX-KPKJPENVSA-N	218.212	1.945	50	50	BDGA	
Cc1occc1C(=O)N/N=C/c1ccncc1	228177	NZHWFDFXQJGQPL-RIYZIHGNSA-N	229.239	1.747	50	50	BDGA	
CC(C)CSc1ccccc1B(O)O	217045657	YAGDDCUDZIINOA-UHFFFAOYSA-N	210.107	1.115	50	50	BDGA	
NNC(=O)Cc1ccccc1C(F)(F)F	16158283	HOBZDLZRQWTFBE-UHFFFAOYSA-N	218.178	1.238	50	50	BDGA	
C[C@@H]1C[C@](C)(NC(=O)[C@@H](C)Cl)CCO1	1875376392	VLFCWLVJPLGIQG-NQMVMOMDSA-N	219.712	1.688	50	50	BDGA	
COc1cc(C#N)c(C(=O)CCl)cc1OC	63772527	KGEWFPQYUZNYSQ-UHFFFAOYSA-N	239.658	1.997	50	50	BDGA	
CC[C@@H]1S[C@H](C)C/C(=N/NC(N)=O)[C@H]1C	136022086	CXEKRAUJXURPPU-OAHJGASYSA-N	229.349	1.951	50	50	BDGA	
OB(O)c1c(-c2ccccc2)ccnc1Cl	169873845	JWIZTZREZAQOTK-UHFFFAOYSA-N	233.463	1.082	50	50	BDGA	
[C-]#[N+]CCCN1CCN(CCC[N+]#[C-])CC1	100405444	GTYUVOWMIHCPRM-UHFFFAOYSA-N	220.320	1.223	50	50	BDGA	
O=C(CCl)N1CCCc2c(O)cccc2C1	2325901406	DTWAGFCLJPOFME-UHFFFAOYSA-N	239.702	1.906	50	50	BDGA	
C[C@@H]1CN(C(=O)[C@H](F)Cl)c2ccnn2C1	2325901410	DWMQIURUSDZPKE-SVRRBLITSA-N	231.658	1.400	50	50	BDGA	
O=C(NCc1snnc1C1CC1)[C@@H](F)Cl	2325901730	VVZOTGKOSHKQAJ-SSDOTTSWSA-N	249.698	1.566	50	50	BDGA	
O=C(CCl)NC[C@@]12CC=C[C@@H](C1)OC2	1875369658	AJRDUOUZOPSKBV-WCBMZHEXSA-N	215.680	1.077	50	50	BDGA	
OB(O)c1ccc(-c2ccccc2)cc1F	169806944	JUHFAPMMWMSLKH-UHFFFAOYSA-N	216.020	1.173	50	50	BDGA	
C[C@H](O)C(=O)N/N=C/c1cccc2ccccc12	275785	YKIRRENRKKEYBU-CNOAHFENSA-N	242.278	1.671	50	50	BDGA	
CC(C)[C@@H](CO)NC(=O)C(C)(C)CCl	82643939	NBXJRNNARUAEFQ-MRVPVSSYSA-N	221.728	1.385	50	50	BDGA	
CO[C@@H]1CC[C@@H]2N[C@H](Cl)C[C@@H](C(=O)O)[C@H]2C1	254866269	CWGRCZUHVKLQCS-VFCFLDTKSA-N	247.722	1.429	50	50	BDGA	
O=C(NNC(=O)c1ccco1)Nc1ccccc1	28401	IZUZUNPDZXKTCG-UHFFFAOYSA-N	245.238	1.746	50	50	BDGA	
COc1cc2c(c(OC)c1OC)C(=O)OC2=O	44459639	ZUERZHPDSQQRFV-UHFFFAOYSA-N	238.195	1.023	50	50	BDGA	
O=C(CCCl)N1CCCSC1=S	725375244	JNDSVFMIAGRVLW-UHFFFAOYSA-N	223.750	1.866	50	50	BDGA	
CC(=O)OCCCCI	2167030	FLPVVTDEKLGZDZ-UHFFFAOYSA-N	242.056	1.765	50	50	BDGA	
C[C@]12[C@H]3[C@@H]4[C@H]5C(=O)OC(=O)[C@H]5[C@H]5[C@@H]([C@@H]41)[C@]2(C)[C@H]53	254735155	VSXGOCWVVVTOMM-CDIOKYRCSA-N	230.263	1.080	50	50	BDGA	
O=C(CCl)Nc1ccc([N+](=O)[O-])cc1	3882252	AZURFBCEYQYATI-UHFFFAOYSA-N	214.608	1.772	50	50	BDGA	in-vitro
C/C(=C(\C#N)C(=O)NC1CCCCC1)N(C)C	12341595	AMTQBAMFZLFQDW-BENRWUELSA-N	235.331	1.794	50	50	BDGA	
Cc1nnc(NC(=O)[C@@H](C)Cl)s1	4079091	DVEJDEQJFVLHEF-GSVOUGTGSA-N	205.670	1.412	50	50	BDGA	
O=[N+]([O-])c1cc(CO)cc(CCl)c1	725327982	BFSSQCKPYXOGFN-UHFFFAOYSA-N	201.609	1.826	50	50	BDGA	
N#C/C(=C/c1c(Cl)cncc1Cl)C(N)=O	1772572673	VPDMQJZSOSUTSY-KTAJNNJTSA-N	242.065	1.781	50	50	BDGA	
O=C(Cl)CCN1C(=O)c2ccccc2C1=O	2571380	ZEQHPUCQCWTFRP-UHFFFAOYSA-N	237.642	1.438	50	50	BDGA	in-vitro
O=C1OC(=O)C23[C@H]4C=C[C@@H](C4)C12[C@H]1C=C[C@H]3C1	104302726	JHYXIGYWOSCKAJ-OBCSCLNOSA-N	228.247	1.454	50	50	BDGA	
OB(O)c1ccc(Oc2ccccc2)cc1F	207123360	PSLVPUAZLINPDI-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	
Cc1ccc(S(=O)(=O)/N=C(\O)CCl)cc1	39842	OBAYRAODJNHZNW-UHFFFAOYSA-N	247.703	1.879	50	50	BDGA	in-vitro
CCCNC(=S)NNC(=O)c1ccoc1C	6264894	FLASYPAAVSTWFQ-UHFFFAOYSA-N	241.316	1.107	50	50	BDGA	
NC(=O)N/N=C(/c1ccccc1)c1ccccn1	1727130	HIQYURBWDPCZPW-VBKFSLOCSA-N	240.266	1.502	50	50	BDGA	
COC(=O)c1cc(CBr)nn1C	147794235	NSHBFPWHFOSCMP-UHFFFAOYSA-N	233.065	1.102	50	50	BDGA	
CN(C)c1ccc([C@H]2N[C@H](CCl)CO2)cc1	19300660	OFPHRPHIISLCLQ-PWSUYJOCSA-N	240.734	1.978	50	50	BDGA	
Cc1ccc(C(=O)N[C@H](O)C(Cl)Cl)cc1	283742	KZQPAALIVAJFQJ-SNVBAGLBSA-N	248.109	1.847	50	50	BDGA	
CC[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	5799746	HRQVPHLDWOQZEI-ZCFIWIBFSA-N	204.233	1.298	50	50	BDGA	in-vitro
NNC(=O)CSCc1ccc(Cl)cc1	43848	SNHAFZQQCFDVOW-UHFFFAOYSA-N	230.720	1.563	50	50	BDGA	
CC(C)(C)OC(=O)NNC[C@H]1CCOC1	5838156	RIWWGPKTYAHFGC-MRVPVSSYSA-N	216.281	1.052	50	50	BDGA	
Cc1cc(C)c2ncc(C(=O)NN)c(N)c2c1	40174296	UMSDGMOCVWNIDH-UHFFFAOYSA-N	230.271	1.037	50	50	BDGA	
C#C[C@](C)(CC)OC[C@@H](CCl)OC[C@H]1CO1	252694340	JIESFYGQVNFHGZ-GRYCIOLGSA-N	246.734	1.828	50	50	BDGA	
N#CC(C#N)=C(c1ccccc1)N1CCOCC1	332776	DDWGCUKWPWWCKV-UHFFFAOYSA-N	239.278	1.777	50	50	BDGA	
Cc1ccccc1Oc1ccc(B(O)O)cc1	170002492	SRDSQGWLQMMFEZ-UHFFFAOYSA-N	228.056	1.467	50	50	BDGA	
OB(O)c1cccc2c1sc1ccccc12	169743234	GOXNHPQCCUVWRO-UHFFFAOYSA-N	228.081	1.734	50	50	BDGA	in-vitro
CNC(=S)NNC(=O)CCC1CCCCC1	6145194	KLBDIASLWDFAEQ-UHFFFAOYSA-N	243.376	1.472	50	50	BDGA	
CC(C)(C)OC(=O)NNC1CCOCC1	39093936	KBMQRTAUUQMJGF-UHFFFAOYSA-N	216.281	1.195	50	50	BDGA	in-vitro
OB(O)c1ccc(Cl)cc1OC1CCCC1	169934545	WVLXAFHXESJZBC-UHFFFAOYSA-N	240.495	1.341	50	50	BDGA	
CCOC(=O)/C(C#N)=C/Nc1cc(C)ccn1	57211708	QPDVRZRRVVWKBE-CSKARUKUSA-N	231.255	1.773	50	50	BDGA	
C[C@H](c1cnn(C)c1)N(C)C(=O)CCl	710523623	IUBRRUNLHYPEFM-SSDOTTSWSA-N	215.684	1.178	50	50	BDGA	
CCCCOc1ccc(C(=O)NN)cc1	1757694	DTSNDHRSCBHKGR-UHFFFAOYSA-N	208.261	1.469	50	50	BDGA	in-vitro
CC(C)=NNC(=O)COc1cccc(C)c1	580506	LARJESABKIAVQN-UHFFFAOYSA-N	220.272	1.886	50	50	BDGA	
COc1ccc(/C(C#N)=C/C(=O)O)cc1	1398080	PQCVIOUJRLKUQH-RMKNXTFCSA-N	203.197	1.687	50	50	BDGA	
CC[C@H](Br)C(=O)NCCCOC	32919656	WSIWFNKQFVQQSN-ZETCQYMHSA-N	238.125	1.313	50	50	BDGA	
O=C(NN=Cc1ccccc1O)c1cccnc1	252438261	OKDDWARZPQNZRT-UHFFFAOYSA-N	241.250	1.551	50	50	BDGA	
CC(C)(C)OC(=O)N/N=C/c1ccccn1	3086451	GAPXJWZSCZWVIR-MDWZMJQESA-N	221.260	1.940	50	50	BDGA	
COCCOCOCCCBr	71784091	GZMPENVOALVKSN-UHFFFAOYSA-N	227.098	1.409	50	50	BDGA	
CC(C)(CCl)C(=O)N1CCC[C@H](N)C1	675060242	UZLPWEJXBWMWPP-QMMMGPOBSA-N	218.728	1.201	50	50	BDGA	
CCCCNCCC[Si](OC)(OC)OC	169808773	XCOASYLMDUQBHW-UHFFFAOYSA-N	235.400	1.644	50	50	BDGA	
O=C=NCc1cc(=O)oc2cc3c(cc12)OCO3	2527974	WIZBKPDCGYLOMY-UHFFFAOYSA-N	245.190	1.358	50	50	BDGA	in-vitro
C[C@H](Br)C(=O)Nc1nccs1	4735924	VDFJYQWYSQZREP-BYPYZUCNSA-N	235.106	1.865	50	50	BDGA	
NNC(=O)c1cc(Br)cs1	374058	QOKOFTFJCNWYPN-UHFFFAOYSA-N	221.079	1.114	50	50	BDGA	
O=C(CCl)NCc1nc2c(s1)COCC2	1332815663	JDOIBXLYLOEJGW-UHFFFAOYSA-N	246.719	1.071	50	50	BDGA	
CCCC(=O)NNC(=O)c1ccc(Cl)cc1	2141552	UNWPTRJWSPVBAZ-UHFFFAOYSA-N	240.690	1.901	50	50	BDGA	
CC(C)(C)c1cc(B(O)O)cc(C(C)(C)C)c1	169746404	RPCBIEHUQSGPNA-UHFFFAOYSA-N	234.148	1.961	50	50	BDGA	in-vitro
C=CC[C@H](C)C(=O)NNC(=O)[C@@H](C)CC=C	1595423	WTGMHMUESMMPEM-UWVGGRQHSA-N	224.304	1.558	50	50	BDGA	
O=C(CCl)Oc1ccccc1C(=O)O	1680731	LAZUHOPLTJOKNS-UHFFFAOYSA-N	214.604	1.529	50	50	BDGA	
O=C1OC(=O)[C@@]23CC=CC[C@]12CCCC3	101042091	IHHGPJMNFQMSLY-RYUDHWBXSA-N	206.241	1.967	50	50	BDGA	
O=P(CO)(c1ccccc1)c1ccccc1	161735	NSLPWSVZTYOGDO-UHFFFAOYSA-N	232.219	1.950	50	50	BDGA	biogenic
O=C(CBr)c1cncnc1	34581422	CJAIWSTYYPAPIG-UHFFFAOYSA-N	201.023	1.054	50	50	BDGA	
CS(=O)(=O)c1cccc(CBr)c1	36533495	JRXBZWXKAYJVRI-UHFFFAOYSA-N	249.129	1.985	50	50	BDGA	
C[C@@H](Cl)C(=O)NC[C@@H](C)N(C)C1CC1	218347922	YUEUIVRRNHXOJQ-HTQZYQBOSA-N	218.728	1.213	50	50	BDGA	
NC(=O)c1ccsc1NC(=O)CCl	159978	CLFJNLMGYISWMW-UHFFFAOYSA-N	218.665	1.024	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)N1CCOC[C@H]1C(F)(F)F	1875364286	NBWPIQSTOYXJBF-RITPCOANSA-N	245.628	1.403	50	50	BDGA	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NN	6524292	PEDOUNVQNATQSS-RXMQYKEDSA-N	249.097	1.751	50	50	BDGA	
NNC(=O)[C@H](Cc1ccccc1)n1cccc1	2029473	KZMMVSGDQPMBJL-LBPRGKRZSA-N	229.283	1.262	50	50	BDGA	
O=C(N/N=C/c1ccc[nH]1)c1ccccn1	6118985	DYYRUKAPWBEDJD-RIYZIHGNSA-N	214.228	1.174	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	1875366803	CBBSDGBZTCQPTG-QPUJVOFHSA-N	248.713	1.769	50	50	BDGA	
C/C(Nc1ccccc1)=C(/C#N)C(N)=O	295556	LEMYLRMPFOACDK-CSKARUKUSA-N	201.229	1.381	50	50	BDGA	
C/C=C/C(=O)NNC(=O)c1ccccc1	3110124	RBPRVZIPDXGYOP-QHHAFSJGSA-N	204.229	1.024	50	50	BDGA	
CC(C)(C)NC(=O)N[C@H](O)C(Cl)Cl	3130882	NHFGYDTZYGBTEN-RXMQYKEDSA-N	229.107	1.206	50	50	BDGA	
O=C1OC(=O)[C@@H]2CC3=C(CCCC3)C[C@@H]12	101092771	LYUGLDYZQNPFGT-NXEZZACHSA-N	206.241	1.967	50	50	BDGA	
COc1cccc(C(=O)Cl)c1[N+](=O)[O-]	38435554	URDXWTRRYHFFQK-UHFFFAOYSA-N	215.592	1.982	50	50	BDGA	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)O	163674	LJKHUTHWDPAAIA-FPYGCLRLSA-N	217.180	1.407	50	50	BDGA	in-vitro
O[C@H](CBr)c1ccccn1	39258628	JAQYQJPRUALUJH-SSDOTTSWSA-N	202.051	1.510	50	50	BDGA	
CC1(C)C=CC[C@H]2C[C@@H]2/C1=N\NC(N)=O	43761513	DTJKFXRRDPQKOC-NQJWWLFLSA-N	207.277	1.633	50	50	BDGA	
COCC(C)(C)C(=O)N1CCSSCC1	952874693	GQXKLWOHYUDARR-UHFFFAOYSA-N	249.401	1.883	50	50	BDGA	
COC[C@H]1C=CCCN1C(=O)CCl	1875378922	ITZIODWWMGPYTL-MRVPVSSYSA-N	203.669	1.029	50	50	BDGA	
COC(=O)C(C)(C)C(=O)CBr	34592269	NPNKYOWEYMYAHO-UHFFFAOYSA-N	223.066	1.150	50	50	BDGA	in-vitro
O=S(=O)(O)c1ccc(N=C=S)cc1	1605500	LBYBJJOUISDNRJ-UHFFFAOYSA-N	215.255	1.668	50	50	BDGA	in-vitro
COC(=O)N1CCN(C[C@@H]2[C@H](C)[C@H]2Cl)CC1	864087949	URPHXLSWJGJRAL-IVZWLZJFSA-N	246.738	1.244	50	50	BDGA	
Cc1ncc(CCNC(=O)[C@@H](F)Cl)o1	1875362207	VXLLUQJQACAQHK-SSDOTTSWSA-N	220.631	1.176	50	50	BDGA	
O=C(CCl)N1CCCC[C@@H]([C@@H]2CCOC2)C1	1334366062	XSARTPUNRMGTRD-GHMZBOCLSA-N	245.750	1.890	50	50	BDGA	
CC(=O)Nc1cccc(NC(=O)CCl)c1	2654622	OFCXEGVJCMFKGG-UHFFFAOYSA-N	226.663	1.822	50	50	BDGA	in-vitro
O=C(CCl)NCC(F)(F)c1cccnc1	1875389924	OXXNRCPACNBBGD-UHFFFAOYSA-N	234.633	1.528	50	50	BDGA	
NC(=O)N/N=C1\C[C@@H]2CC[C@@H]3CC[C@H]1[C@H]23	257346664	ZIHBTTIOZKHGHZ-DAPGZLDKSA-N	207.277	1.467	50	50	BDGA	
O=S(=O)(CCCl)c1ccc(F)cc1	161496	VOJIERKKDNYFCX-UHFFFAOYSA-N	222.668	1.838	50	50	BDGA	biogenic,in-vitro
CN1C[C@@H](CBr)CCC1=O	238316754	DBCUOYZOPYEUCP-ZCFIWIBFSA-N	206.083	1.250	50	50	BDGA	
CCn1c2ccccc2c2cc(B(O)O)ccc21	169744834	JUBKLYCRFZTXBA-UHFFFAOYSA-N	239.083	1.494	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)Nc1ccc(C(N)=O)cc1	2654629	IQXHRSUFQPFFIK-LURJTMIESA-N	226.663	1.351	50	50	BDGA	in-vitro
O=C(CCl)NCc1cc(O)ccc1Cl	1875374611	AJFGHZCJQMCFEX-UHFFFAOYSA-N	234.082	1.901	50	50	BDGA	
CN(C)C(=O)N[C@H]1CCCC[C@@H]1Cl	5508873	QAXQVMSCIIQMJA-YUMQZZPRSA-N	204.701	1.808	50	50	BDGA	
NNC(=O)CCCc1nc2ccccc2s1	392133	CVKSGECMVPIYIB-UHFFFAOYSA-N	235.312	1.609	50	50	BDGA	
O=C1OC(=O)C23[C@H]4CC[C@H]5C4C4[C@@H](CC[C@H]42)C153	104306372	HBHYSDLLXWCWIF-QFUGBFDCSA-N	230.263	1.368	50	50	BDGA	
CCOC(=O)[C@@H]1C[C@H]1CBr	117466066	XAUNGMQKDDMMQW-NTSWFWBYSA-N	207.067	1.581	50	50	BDGA	
C[C@@H]1CN[C@H](c2ccccc2)[C@@H](C)[C@@]1(O)C#N	226858193	WYWIMOATJMGNNL-MHDGFBEUSA-N	230.311	1.858	50	50	BDGA	
CC(C)(N)C(=O)NC[C@@]1(C)C[C@@H]1Br	1118754430	LAFWRMWYZJTWDZ-IMTBSYHQSA-N	249.152	1.013	50	50	BDGA	
O=C(CCl)Oc1ccc([N+](=O)[O-])cc1	1586537	DYFFUJNIXCDLOR-UHFFFAOYSA-N	215.592	1.739	50	50	BDGA	in-vitro
C=CCOc1cccc(/C=N/NC(=O)[C@@H](C)O)c1	2901877	LDKILKGKFGDGIB-GMROUXNLSA-N	248.282	1.082	50	50	BDGA	
CC(C)[C@@H](C(Cl)Cl)S(=O)(=O)O	101042318	YXUWWVUSADDGGC-BYPYZUCNSA-N	221.105	1.703	50	50	BDGA	
CC(C)CCNC(=O)[C@H](C)Br	34926261	AWJGAHAVHAJGHN-ZETCQYMHSA-N	222.126	1.932	50	50	BDGA	
Cc1c(OCCCO)ccnc1CCl	138241500	FXJAABZTPUERIP-UHFFFAOYSA-N	215.680	1.890	50	50	BDGA	
CC[C@@H]1CCc2cc(C(=O)NN)sc2C1	19737273	QESAJTHCEAJZJB-SSDOTTSWSA-N	224.329	1.867	50	50	BDGA	
O=C(CCl)N1CCC[C@@H]1c1ccon1	1875378259	YHDJRCXXTOOKQB-MRVPVSSYSA-N	214.652	1.577	50	50	BDGA	
CCOC(=O)[C@H]1C[C@H]1CBr	117466069	XAUNGMQKDDMMQW-WDSKDSINSA-N	207.067	1.581	50	50	BDGA	
O=C(CCl)NC(=S)c1ccc(F)cc1	91695926	QQTSOLPVHMAJDX-UHFFFAOYSA-N	231.679	1.856	50	50	BDGA	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCl	1875377722	LVYPOWSRADXPBY-PSASIEDQSA-N	217.696	1.323	50	50	BDGA	
OC[C@@H](Br)CBr	2041178	QWVCIORZLNBIIC-VKHMYHEASA-N	217.888	1.137	50	50	BDGA	in-vitro
N#C[C@H](Br)CBr	2242670	ARRIEYYNOLTVTE-GSVOUGTGSA-N	212.872	1.668	50	50	BDGA	in-vitro
Cc1nc(CNC(=O)CCl)nc2ccccc12	1324706096	HBPFZEJHIYTIOV-UHFFFAOYSA-N	249.701	1.793	50	50	BDGA	
NNC(=O)c1ccc(OC2CCCC2)cc1	6332171	GSJAVLKWVIUIKC-UHFFFAOYSA-N	220.272	1.612	50	50	BDGA	in-vitro
O=C(CCCl)Nc1cccc(C(=O)O)c1	35412189	NMWZONLMPZNTPM-UHFFFAOYSA-N	227.647	1.952	50	50	BDGA	in-vitro
CC(C)(C)c1cc(B(O)O)ccc1N1CCCC1	203534163	QAPKAEMTJUVEKT-UHFFFAOYSA-N	247.147	1.264	50	50	BDGA	
CCOC(=O)[C@@H]1CCCN(C(=O)CCl)C1	3268029	QWBCFYAGERCGJG-MRVPVSSYSA-N	233.695	1.027	50	50	BDGA	
ClCc1noc(-c2csnn2)n1	2243855	RSSBMWQNIDHJNS-UHFFFAOYSA-N	202.626	1.327	50	50	BDGA	in-vitro
Cc1cc(B(O)O)cc(Cl)c1Br	1772572491	BIEGCQMVHGSKMI-UHFFFAOYSA-N	249.300	1.091	50	50	BDGA	
O=C(CCl)N[C@@H](CO)c1cccc(Cl)c1	1875366428	IXAUAXHZWZPDEB-VIFPVBQESA-N	248.109	1.728	50	50	BDGA	
OCCC1CCN(CCCCl)CC1	2513890	DGTVTTNTHLZNST-UHFFFAOYSA-N	205.729	1.710	50	50	BDGA	
O=C(CCl)N1CCc2ccccc2C1	4342796	XJOLYGFCZOFURL-UHFFFAOYSA-N	209.676	1.810	50	50	BDGA	
CC1(C)OC(=O)N(CCCCCl)C1=O	526056082	QAGYCSAZXLGNJY-UHFFFAOYSA-N	219.668	1.763	50	50	BDGA	
C[C@@H](NC(=O)CCl)c1ccc2n[nH]cc2c1	1875377133	ADSXOEVTNZQYIH-SSDOTTSWSA-N	237.690	1.979	50	50	BDGA	
CNc1nc(CCl)nc2c1cnn2C	59842750	BOSRHAZBAVIABA-UHFFFAOYSA-N	211.656	1.144	50	50	BDGA	
CC1(C)[C@]2(C)CC[C@@]1(Cl)C(=O)OC2=O	101083342	RYHOJIIKEZFTLE-NXEZZACHSA-N	216.664	1.874	50	50	BDGA	
O=C(O)[C@H](Br)CCBr	59803998	OFBPRWUYMOUQML-GSVOUGTGSA-N	245.898	1.620	50	50	BDGA	in-vitro
Cc1ccc(C)c2oc(C(=O)NN)cc12	575444446	RQEJJLKONXNFKO-UHFFFAOYSA-N	204.229	1.653	50	50	BDGA	
CC(C)n1ncnc1CNC(=O)[C@H](C)Cl	1875366345	CHMOAKPZLWEQQF-ZETCQYMHSA-N	230.699	1.103	50	50	BDGA	
O=[N+]([O-])c1c(CCl)nc2ccccn12	8706505	INTSNKHYSRQDPZ-UHFFFAOYSA-N	211.608	1.981	50	50	BDGA	in-vitro
Cc1cc(C)cc(O[C@@H](C)C(=O)NN)c1	4255648	BFDPGHYRXROEHO-VIFPVBQESA-N	208.261	1.061	50	50	BDGA	in-vitro
CCOCC(=O)N(N)c1ccc(C)cc1	757126483	GULHIAAYWSSHNS-UHFFFAOYSA-N	208.261	1.238	50	50	BDGA	
O=C(N/N=C/c1ccc[nH]1)c1ccccc1O	48327	SSFAKFBVXKBZAY-RIYZIHGNSA-N	229.239	1.484	50	50	BDGA	
O=C(C[n+]1ccccc1)NNc1ccccc1	5484232	IWVBNIIMFMPYET-UHFFFAOYSA-O	228.275	1.117	50	50	BDGA	
COC(=O)c1ccccc1[S@@](=O)CCl	25631280	KZQZOKMURSYUSS-CQSZACIVSA-N	232.688	1.777	50	50	BDGA	
CCCCOS(=O)(=O)CCCCl	16697360	MJHBOVFGBJXYQE-UHFFFAOYSA-N	214.714	1.762	50	50	BDGA	in-vitro
N#CCc1ccc(OC[C@@H](O)CCl)cc1	163085223	FABOWIZRCDUJON-JTQLQIEISA-N	225.675	1.731	50	50	BDGA	
NNC(=O)C(c1ccccc1)c1ccccc1	332220	YBBSKAGTEPBSNK-UHFFFAOYSA-N	226.279	1.808	50	50	BDGA	
NC[C@@H](Br)CBr	2168386	VKQMAOOHJWXMPL-VKHMYHEASA-N	216.904	1.104	50	50	BDGA	
CC(C(=O)NN)(C(F)(F)F)C(F)(F)F	22016790	PBHZAKOUWWDOBJ-UHFFFAOYSA-N	224.104	1.107	50	50	BDGA	
COc1ccc(/C=C(/C#N)C(N)=S)cc1OC	407494	FRUZDUSVCVJDGL-UITAMQMPSA-N	248.307	1.897	50	50	BDGA	
O=C(CCCCl)Nc1nncs1	6343117	OVINGJRLYFGATF-UHFFFAOYSA-N	205.670	1.496	50	50	BDGA	in-vitro
O=C(CCl)N1CCC[C@@]2(C=CCO2)CC1	1875369838	LVEIKNSBLIQFQN-LLVKDONJSA-N	229.707	1.563	50	50	BDGA	
OB(O)c1ccc(-c2ccccc2F)cc1	204106248	VXZNXBXQOLYKSL-UHFFFAOYSA-N	216.020	1.173	50	50	BDGA	
CC[C@H](Nc1cccc(Cl)c1)C(=O)NN	66324355	QPVUBPDQIJAMEE-VIFPVBQESA-N	227.695	1.520	50	50	BDGA	
O=C(CCCl)Nc1ncc(C(=O)O)s1	725256568	VFLSOIOUAKGFST-UHFFFAOYSA-N	234.664	1.409	50	50	BDGA	
C[C@]12CN(C(=O)CCl)C[C@H]1[C@H]1C=C[C@@H]2C1	1354350416	FPNUYTCBXSWQQU-MIZYBKAJSA-N	225.719	1.896	50	50	BDGA	
CCOCCC(=O)NNC(=O)C1CCCCC1	14663259	UDEQYLNUHWVVTJ-UHFFFAOYSA-N	242.319	1.141	50	50	BDGA	
O=C(CBr)c1ccccn1	158584	DNPMOGQMEOPVNT-UHFFFAOYSA-N	200.035	1.659	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	1875366804	CBBSDGBZTCQPTG-UFBFGSQYSA-N	248.713	1.769	50	50	BDGA	
COC(=O)NNC(=O)Nc1ccc(C)c(C)c1	1119035	XDXOCUGBWUBXSH-UHFFFAOYSA-N	237.259	1.696	50	50	BDGA	
CN(Cc1noc(C2CC2)n1)C(=O)[C@@H](F)Cl	2325898034	QAHWHKYTQJNKAS-SSDOTTSWSA-N	247.657	1.440	50	50	BDGA	
N#C/C(=C/c1c(O)ccc2ccccc12)C(N)=O	160678	ZNLRJSIYWYCZBD-YFHOEESVSA-N	238.246	1.938	50	50	BDGA	
Cc1nn(C(=O)/C(C#N)=C/N(C)C)c(C)c1C	1406400	OOQVICCZXURETQ-YRNVUSSQSA-N	232.287	1.418	50	50	BDGA	
NC(=O)c1ccccc1NC(=O)OCCCl	2026845	RWDLTJYRZPGTGA-UHFFFAOYSA-N	242.662	1.573	50	50	BDGA	
C[C@@H]1C[C@@H]1C(=O)NC(C#N)=C(Cl)Cl	1775965287	ZBIDVQDMLWGZAZ-UHNVWZDZSA-N	219.071	1.929	50	50	BDGA	
CN(C)C(=O)Oc1ccc([N+](=O)[O-])cc1	247011	YBRIFDNEMBTBMJ-UHFFFAOYSA-N	210.189	1.655	50	50	BDGA	in-vitro
CCSC(=S)NNC(=O)c1ccncc1	5010166	SSWSSADGFWLLHB-UHFFFAOYSA-N	241.341	1.354	50	50	BDGA	
CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)NN)c2C1	390032	WPAHESSOUBKEIY-ZETCQYMHSA-N	236.319	1.164	50	50	BDGA	
CC(C)(C)C(=O)NNCc1ccccc1	1967	FWWDFDMCZLOXQI-UHFFFAOYSA-N	206.289	1.854	50	50	BDGA	biogenic,in-man
NNC(=O)Cn1c2c(c3ccccc31)CCCC2	2568959	UQEDHSYNWLUQRH-UHFFFAOYSA-N	243.310	1.510	50	50	BDGA	
C[C@H](Cl)C(=O)NCc1ccc2cc[nH]c2n1	1875378050	UVNPQCSROXOJJJ-ZETCQYMHSA-N	237.690	1.806	50	50	BDGA	
NNC(=O)c1ccccc1-c1ccccc1	2562429	URSYVWKUCWNLMA-UHFFFAOYSA-N	212.252	1.957	50	50	BDGA	in-vitro
COc1ccc(CBr)cn1	5141291	LCLDNQYXVDKJMX-UHFFFAOYSA-N	202.051	1.985	50	50	BDGA	
COC(=O)/C(O)=C(\C#N)c1ccccc1	100274431	FWJUJBITXCWPFT-KTKRTIGZSA-N	203.197	1.652	50	50	BDGA	
O=C(CCl)NCc1ccc(O)c([N+](=O)[O-])c1	35877358	ZCDILZWODXNISM-UHFFFAOYSA-N	244.634	1.155	50	50	BDGA	
CC1(C)[C@]2(C(=O)Cl)CC[C@@]1(C)C(=O)O2	2508200	PAXWODJTHKJQDZ-VHSXEESVSA-N	216.664	1.874	50	50	BDGA	in-vitro
BrC[C@@H]1C[n+]2ccccc2N1	5517426	IVDGEHGGFHKCAF-SSDOTTSWSA-O	214.086	1.163	50	50	BDGA	
C[C@H](Cl)C(=O)NCc1nnc(C2CC2)o1	1875377500	FYKWMNRFPWJPBS-YFKPBYRVSA-N	229.667	1.191	50	50	BDGA	
NNC(=O)C(F)(F)c1ccc2ncccc2c1	95644151	LNSMMTATFHVVIJ-UHFFFAOYSA-N	237.209	1.317	50	50	BDGA	
NNC(=O)Cc1ccc(Cl)c(Cl)c1	128974	BDVLLZFPIPICSB-UHFFFAOYSA-N	219.071	1.526	50	50	BDGA	in-vitro
CC(C)[C@@H]1C[C@H](CNC(=O)CCl)CCO1	1875375331	ZQEZYGMMKFSLLM-ZJUUUORDSA-N	233.739	1.793	50	50	BDGA	
CCO[C@H]1CCN(C(=O)CCl)CC1(C)C	1875374616	ALQGJMLQQOBLPW-VIFPVBQESA-N	233.739	1.889	50	50	BDGA	
O=S(=O)(Cc1ccccc1)NCCCCl	2025947	ZIZHULVFBIZKHJ-UHFFFAOYSA-N	247.747	1.735	50	50	BDGA	
O=C(CCl)N[C@]12C[C@H]1COC21CCC1	1354193572	NZORVUURGKHRPI-OIBJUYFYSA-N	215.680	1.053	50	50	BDGA	
C#CCSc1nnc(NC(=O)CCl)s1	253470772	CXRBJXPHYSRQJC-UHFFFAOYSA-N	247.732	1.441	50	50	BDGA	
NNC(=O)c1cn2c(n1)sc1ccccc12	1394822	GQMJGRLRLAVEBW-UHFFFAOYSA-N	232.268	1.153	50	50	BDGA	
Cc1ccc(/C=N/NC(=O)CC#N)cc1	12447485	ZDCHUOMTRAOGPT-MDWZMJQESA-N	201.229	1.359	50	50	BDGA	
COc1cccc(/C(C)=N/NC(N)=O)c1	5480040	BMZNDZUKBXFFPO-KPKJPENVSA-N	207.233	1.088	50	50	BDGA	
CC(C)=NNC(=O)c1n[nH]c2c1CCC2	109149	IREJSESMASNRKH-UHFFFAOYSA-N	206.249	1.024	50	50	BDGA	
O=C(O)c1ccc(CBr)nc1	85345133	ISQLGKBALHPSQC-UHFFFAOYSA-N	216.034	1.675	50	50	BDGA	in-vitro
N#C/C(=C/c1ccc2c(c1)OCO2)C(N)=S	121486	RHTVPWVESMJUOP-BAQGIRSFSA-N	232.264	1.608	50	50	BDGA	
COC(=O)c1cccc(C(=O)[C@H](C)Cl)n1	169794966	UFOFMPBGCTXYNB-LURJTMIESA-N	227.647	1.678	50	50	BDGA	
CC(C)OCC[C@@H](C#N)NC(=O)[C@H](C)Cl	1875304076	YUSUNBAMLIGTJE-IUCAKERBSA-N	232.711	1.437	50	50	BDGA	
O=C(CCl)N(CC(F)(F)F)[C@H]1CCOC1	1875364732	RZISRIXHFYLCRC-LURJTMIESA-N	245.628	1.405	50	50	BDGA	
N#CC(C#N)=C(N)[C@H](C#N)Cc1ccccc1	170622601	ZCLXECYWOINQSN-NSHDSACASA-N	222.251	1.629	50	50	BDGA	
O=C(N/N=C/c1cccnc1)c1ccccc1	130878	JCVMRRDGCPODBY-XNTDXEJSSA-N	225.251	1.846	50	50	BDGA	
O=C(O)C(CBr)CBr	1557902	QQZJWQCLWOQDQV-UHFFFAOYSA-N	245.898	1.477	50	50	BDGA	in-vitro
OB(O)c1cccc2oc3ccccc3c12	196238447	JOFBTOVNZIUWPX-UHFFFAOYSA-N	212.013	1.266	50	50	BDGA	
CO[Si](CCCC#N)(OC)c1ccccc1	195755140	DYLNEUKFYBCJNO-UHFFFAOYSA-N	235.359	1.932	50	50	BDGA	
O=C(N/N=C/c1ccc(O)cc1)c1cccnc1	520633	ILQGNUZMHMAUIR-OVCLIPMQSA-N	241.250	1.551	50	50	BDGA	
O=C[C@@H](Br)CBr	5131773	ZMDDOWQHSDJXDW-VKHMYHEASA-N	215.872	1.344	50	50	BDGA	
Cc1cccc(Oc2ccccc2B(O)O)c1	170002532	CJWASTIUXJQLGA-UHFFFAOYSA-N	228.056	1.467	50	50	BDGA	
Cc1nnc(CCCNC(=O)CCl)s1	1875367604	USUBGVJLACUWTH-UHFFFAOYSA-N	233.724	1.134	50	50	BDGA	
CC(C)(C)C(=O)Nc1cccc(C(=O)NN)c1	287811	CKZGNOLQAMEWAN-UHFFFAOYSA-N	235.287	1.275	50	50	BDGA	
Cc1c(Br)cccc1C(=O)NN	2580656	HAAKSCUEVFJSTN-UHFFFAOYSA-N	229.077	1.361	50	50	BDGA	in-vitro
Nc1ccc(C(=O)NNC2=NCCCCC2)cc1	2392047	YQFFAUVKPOQUJK-UHFFFAOYSA-N	246.314	1.476	50	50	BDGA	
CO[Si](OC)(OC)c1ccc(Cl)cc1	196163683	SWYZNMNIUXTWTF-UHFFFAOYSA-N	232.739	1.425	50	50	BDGA	
C[C@@H](Cl)C(=O)NC1CCC2(CC1)OCCO2	715654340	PASKTJBCXJWOQA-MRVPVSSYSA-N	247.722	1.416	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@H](C)C1=CCN(C)CC1	1875377783	NLACGOUYGBASJC-DTWKUNHWSA-N	230.739	1.380	50	50	BDGA	
CCOC(=O)Cc1ccc(N=C=O)cc1	19737282	WJCNECDZVRTPNU-UHFFFAOYSA-N	205.213	1.760	50	50	BDGA	in-vitro
Cc1cc(O[C@@H](C)C(=O)NN)cc(C)c1Cl	48682	XDAQXAPOGMEXLH-QMMMGPOBSA-N	242.706	1.714	50	50	BDGA	
C[C@@H](O)C(=O)N/N=C/c1cccc2ccccc12	275791	YKIRRENRKKEYBU-KXUVPBGPSA-N	242.278	1.671	50	50	BDGA	
N#CC1=C(c2ccc(F)cc2)COC1=O	170483	CWMVLLRNKOTQCU-UHFFFAOYSA-N	203.172	1.660	50	50	BDGA	in-vitro
CC1(CBr)C(C#N)(C#N)C1(C#N)C#N	3121779	NUKVRIJPSLZGMJ-UHFFFAOYSA-N	249.071	1.468	50	50	BDGA	
O=C(OC(=O)c1cccnc1)c1cccnc1	80499113	VPODXHOUBDCEHN-UHFFFAOYSA-N	228.207	1.474	50	50	BDGA	in-vitro
OB(O)c1ccccc1OCc1ccccc1F	197900572	UMSPHQRRVCBNDV-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	
CC(C)(C)C(=O)NNC(=O)c1ccco1	259683	BJPSRDNNXFMNJO-UHFFFAOYSA-N	210.233	1.087	50	50	BDGA	
COCc1c(CCl)cnc(C)c1O	329938	CEKWBQCOWGCKFB-UHFFFAOYSA-N	201.653	1.981	50	50	BDGA	
CCCNC(=O)NN(C)c1ccccc1	2165448	DVJFFZUVJGWMAK-UHFFFAOYSA-N	207.277	1.747	50	50	BDGA	
Cc1ccccc1C(=O)c1c[nH]c(C(=O)NN)c1	2597339	IEEXUNOVRMNPRR-UHFFFAOYSA-N	243.266	1.158	50	50	BDGA	
CN(Cc1ccc(N(C)C)nc1)C(=O)CCl	1875377344	CHWNPVXLMHAWLI-UHFFFAOYSA-N	241.722	1.345	50	50	BDGA	
C=CC[C@@H](C)C(=O)NNC(=O)[C@H](C)CC=C	1595426	WTGMHMUESMMPEM-NXEZZACHSA-N	224.304	1.558	50	50	BDGA	
COc1cc(N=C=O)cc(OC)c1OC	2560438	MJJXWPHZDBIHIM-UHFFFAOYSA-N	209.201	1.680	50	50	BDGA	
O=C1C[C@@H](c2ccccc2Cl)C(=O)O1	100648335	XYQWSLDOLWQXFW-ZETCQYMHSA-N	210.616	1.897	50	50	BDGA	
NNC(=O)c1cnc2ccc(Cl)cc2c1N	19702766	GCKDHWYJOLBQIK-UHFFFAOYSA-N	236.662	1.074	50	50	BDGA	
CC(C)N1CCN(C(=O)[C@@H](C)Cl)CC1	36170939	YWUXPZHJBWQXJO-SECBINFHSA-N	218.728	1.166	50	50	BDGA	
O=C(CCl)NCCCCc1cn[nH]c1	1875364826	VEHQIHHBALPNOL-UHFFFAOYSA-N	215.684	1.087	50	50	BDGA	
C[C@@H]1CN[C@H](c2ccccc2)[C@@H](C)[C@]1(O)C#N	239432950	WYWIMOATJMGNNL-RFHZTLPTSA-N	230.311	1.858	50	50	BDGA	
NNC(=O)COc1cccc2ccccc12	142174	PLYHRLDIWQEXBD-UHFFFAOYSA-N	216.240	1.209	50	50	BDGA	in-vitro
OB(O)c1ccc(OCc2ccc(F)cc2)cc1	169877349	HNQLLMVLGZJPJT-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	
Cc1ccc(C[C@@H]2C(=O)OC(=O)[C@@H]2C)cc1	100405860	MEDNFLOADJSQQZ-KOLCDFICSA-N	218.252	1.873	50	50	BDGA	
CC[C@H](Br)C(=O)N1CCOCC1	34143536	LPZWHLONFDUNEI-ZETCQYMHSA-N	236.109	1.019	50	50	BDGA	
NN(C(=O)OC1CCCC1)C1CCOCC1	757132913	YQBOMRIXTNGWTA-UHFFFAOYSA-N	228.292	1.420	50	50	BDGA	
OB(O)c1cccc(OCc2ccccc2F)c1	169877274	CPTYKSHXZNSHLB-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)NCC12CC(CN1C1CC1)C2	1875368061	NABYLPVEMJRVPK-YDNLMGDJSA-N	242.750	1.357	50	50	BDGA	
C[C@@H](Cl)C(=O)N(C)Cc1ccco1	12364796	AVKITXNDWQKXND-SSDOTTSWSA-N	201.653	1.865	50	50	BDGA	
CCc1nnc(CBr)s1	156106442	BOTYPOMFJQDQLF-UHFFFAOYSA-N	207.096	1.995	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCCc2c(cnn2C)C1	1875366061	FPSXEZKJFBYVPS-QMMMGPOBSA-N	241.722	1.322	50	50	BDGA	
CC(C)COC(=O)N(N)c1ccccn1	757127539	LIQKICQABAKNDH-UHFFFAOYSA-N	209.249	1.554	50	50	BDGA	
COc1ccc(/C=C(\C#N)C(N)=O)c(OC)c1	160648	WPPQGZFEWZSGOX-WEVVVXLNSA-N	232.239	1.096	50	50	BDGA	in-vitro
O=C(CCl)N1CCC[C@@]2(CO)CCC[C@@H]12	1875369378	KVOUBCHZUKFBIW-MWLCHTKSSA-N	231.723	1.379	50	50	BDGA	
Cc1cc(Cl)nc(NC=C(C#N)C#N)n1	2539544	WQQIYUXEVUZDMW-UHFFFAOYSA-N	219.635	1.781	50	50	BDGA	
CCOc1ccc(CC(=O)NN)cc1Cl	20134053	YXNYZDVRTOJZEP-UHFFFAOYSA-N	228.679	1.271	50	50	BDGA	
COC(=O)c1c(CCl)nn2c1CCCC2	96511751	GRYUKVHMNULBLI-UHFFFAOYSA-N	228.679	1.745	50	50	BDGA	
CC[C@H](CO)NC(=O)[C@@H]1CCCSS1	1875388188	PTBDQHBJQVPLCX-SFYZADRCSA-N	235.374	1.417	50	50	BDGA	
Cc1nnc2c(NC(=O)[C@@H](F)Cl)cccn12	2325901783	XRANJHGVPIUCGW-SSDOTTSWSA-N	242.641	1.511	50	50	BDGA	
C/C(=N\NC(=O)c1cnccn1)c1ccccc1	4531255	SHXXDOVTHJNLHY-MHWRWJLKSA-N	240.266	1.631	50	50	BDGA	
CCOC(=O)C(C)=NNC(=O)c1ccccc1	238923595	OZNUYZXPDBNKNQ-UHFFFAOYSA-N	234.255	1.355	50	50	BDGA	
CCN(C[C@@H](C)C#N)C(=O)[C@H](F)Cl	2325820716	PHHNOMXMLPFDNW-BQBZGAKWSA-N	206.648	1.529	50	50	BDGA	
O=S1(=O)C=CC[C@@H](Br)C=C1	45028145	MIMBAOXGHWPKNX-ZCFIWIBFSA-N	223.091	1.596	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCOC[C@H]1C(F)(F)F	1875364288	NBWPIQSTOYXJBF-WDSKDSINSA-N	245.628	1.403	50	50	BDGA	
OB(O)c1cccc(F)c1OCc1ccccc1	169748094	BLCQROGHALPIMD-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	
O=C(Nc1cnn2c1CCCC2)[C@@H](F)Cl	2325898079	RMGZOZCNQPRDCE-MRVPVSSYSA-N	231.658	1.692	50	50	BDGA	
CCOC(=O)/C(C#N)=C/c1ccc(O)c(O)c1	4333	RAHIHNWEZPLHGV-WEVVVXLNSA-N	233.223	1.568	50	50	BDGA	
O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@H]2C(C3CC3)=C[C@@H]12	254837501	CFDWKHCYBDTMRV-MBBWPEKLSA-N	242.274	1.700	50	50	BDGA	
O=C(CCCCCl)Nc1ncc(C(=O)O)o1	725256365	HLXSQJKOWPWWRD-UHFFFAOYSA-N	246.650	1.720	50	50	BDGA	
NNC(=O)CCSSc1ccccn1	13282589	NITXODYAMWZEJY-UHFFFAOYSA-N	229.330	1.202	50	50	BDGA	in-vitro
O=C1CCN(C(=O)CCl)c2ccc(O)cc21	1875367966	DMEBZRDZTPKMDW-UHFFFAOYSA-N	239.658	1.550	50	50	BDGA	
NNC(=O)c1cccc(Cc2ccccc2)c1O	408128	TZVMMISNAQXBPZ-UHFFFAOYSA-N	242.278	1.587	50	50	BDGA	
Cc1cn2c(=O)cc(CCl)nc2s1	8728824	FNZCXIFIXPCDQH-UHFFFAOYSA-N	214.677	1.803	50	50	BDGA	in-vitro
CCO[C@@H]1C[C@H](NC(=O)CCl)[C@@]12CCCO2	1875377868	PNZVBFZHLNMYBG-NGZCFLSTSA-N	247.722	1.068	50	50	BDGA	
O=C/C(=C\O)c1cnc2ccccc2n1	100389415	XRAYPYYFSJLGSB-SOFGYWHQSA-N	200.197	1.728	50	50	BDGA	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NN	3135604	HBSXVJUCYZMFTD-LURJTMIESA-N	230.720	1.811	50	50	BDGA	
C[C@@]1(CCl)C[N@]1S(=O)(=O)c1ccccc1	1857524778	RUAPLDLQHBIJCW-PWSUYJOCSA-N	245.731	1.688	50	50	BDGA	
CCn1nc(C)c(CNC(=O)CCl)c1C	1116434468	WNBAFLLUGHCVMI-UHFFFAOYSA-N	229.711	1.375	50	50	BDGA	
COc1ccc(N/C(C)=C(\C#N)C(N)=O)cc1	16511322	LYTQVYDRODJKFH-DHZHZOJOSA-N	231.255	1.390	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@@H]1CCc2n[nH]cc2C1	1875363846	BNUSORQLBLHBJU-HTRCEHHLSA-N	227.695	1.011	50	50	BDGA	
NNC(=O)CSCc1ccc(F)cc1Cl	6402294	MTARXILBXADVBV-UHFFFAOYSA-N	248.710	1.702	50	50	BDGA	
CC(C)(C)OC(=O)N1CCC(O)=C(C=O)C1	66354204	SCMKLQCDMLPSJO-UHFFFAOYSA-N	227.260	1.638	50	50	BDGA	
CN(C)c1ccc(/C=C(\C#N)C(=O)O)cc1	130232	CXZXLLVNQYUMAW-JXMROGBWSA-N	216.240	1.744	50	50	BDGA	in-vitro
Cc1cc(Cl)ccc1NCC(=O)NN	271619	FXVPJYIAMLEGDC-UHFFFAOYSA-N	213.668	1.050	50	50	BDGA	
Cc1ccc(C)c(NC(=O)NN(C)C)c1	2171711	ULQISWJYLGWBHC-UHFFFAOYSA-N	207.277	1.902	50	50	BDGA	
NNC(=O)c1cc(Br)ccc1Cl	2169130	WWFCYCURWFOZSY-UHFFFAOYSA-N	249.495	1.706	50	50	BDGA	in-vitro
COc1ccc(OC(=O)CCl)cc1	5661633	CWZUOZZTNYZVSQ-UHFFFAOYSA-N	200.621	1.839	50	50	BDGA	
Cc1noc(CCCNC(=O)[C@@H](C)Cl)n1	1875364114	IQDCNNXSUWLFOL-ZCFIWIBFSA-N	231.683	1.054	50	50	BDGA	
N#CCC(=O)N/N=C/Cc1ccccc1	5370942	XQIQHVZXNPYRRV-UKTHLTGXSA-N	201.229	1.245	50	50	BDGA	
COc1cc2ccccc2cc1C(=O)NN	1610584	CTKACORQPVVYIO-UHFFFAOYSA-N	216.240	1.452	50	50	BDGA	
CCc1ccccc1NC(=O)NN(C)C	2166448	XUUIJXVJFRAATJ-UHFFFAOYSA-N	207.277	1.847	50	50	BDGA	
C[C@H](NC(=O)CCl)c1cc2n(n1)CCCC2	1875367823	PSKIJLHWGFMVGP-QMMMGPOBSA-N	241.722	1.635	50	50	BDGA	
Cc1ccc(C(=O)NNC(=O)C2CC2)cc1	512411	JSGWKVMIWHMGND-UHFFFAOYSA-N	218.256	1.166	50	50	BDGA	
CC[C@@H](C(=O)NN)n1nc(C)c(Cl)c1C	2731967	FGUDMXVDUQKYDS-ZETCQYMHSA-N	230.699	1.094	50	50	BDGA	
C[Si](C)(C)O[C@H]1CCNC(=O)CC1	601013418	XMMCATFRFXZYQE-MRVPVSSYSA-N	201.342	1.507	50	50	BDGA	
CC(C)C[C@H]1COCC[C@@H]1NC(=O)CCl	1875376613	DBJHRWPVTDGDTE-UWVGGRQHSA-N	233.739	1.793	50	50	BDGA	
CN1CCC[C@H](NC(=O)[C@H](F)Cl)CC1	2325897814	JTHYQGIKGYYDKV-YUMQZZPRSA-N	222.691	1.121	50	50	BDGA	
COC(=O)/C(C#N)=C1/CCOC(C)(C)C1	306524416	YGFDEICDZALXGL-HJWRWDBZSA-N	209.245	1.569	50	50	BDGA	
O=C(O)CCSSCCC(=O)O	1561910	YCLSOMLVSHPPFV-UHFFFAOYSA-N	210.276	1.317	50	50	BDGA	biogenic,in-vitro
O=C(CCl)N1CCOC2(CCC2)C1	1347089563	CCKBNKZABOPCGH-UHFFFAOYSA-N	203.669	1.007	50	50	BDGA	
COc1cccc(-c2ccc(B(O)O)cc2)c1	169844717	GETGSFIRXNTUKZ-UHFFFAOYSA-N	228.056	1.042	50	50	BDGA	in-vitro
Cc1cccc(N(C)CCNC(=O)CCl)c1	1875374591	XTCXHDXAPDWIQI-UHFFFAOYSA-N	240.734	1.786	50	50	BDGA	
O=C(CCCl)Nc1ccc(C(=O)O)cc1	21003471	CCFDZEJMPVLHLK-UHFFFAOYSA-N	227.647	1.952	50	50	BDGA	
O=CC1=C(c2ccccc2)N2CCN=C2S1	12336598	XAPZTWMVOIOGLX-UHFFFAOYSA-N	230.292	1.973	50	50	BDGA	
Cc1ccc(OCc2ccc(C(=O)NN)o2)cc1	2568595	WPFLJRAXKQWNDE-UHFFFAOYSA-N	246.266	1.771	50	50	BDGA	
O=C(Cl)COCC(F)(F)C(F)F	217041071	LDLQCBJRGIEDCI-UHFFFAOYSA-N	208.538	1.669	50	50	BDGA	
CN(C)c1ccc(/C=C(\C#N)C(N)=O)cc1	103240	TVPUSDGUXXMGMH-JXMROGBWSA-N	215.256	1.145	50	50	BDGA	in-vitro
O=C(CCl)NCCc1cccs1	4206381	BPGNKQFHHAQFBR-UHFFFAOYSA-N	203.694	1.646	50	50	BDGA	in-vitro
Cc1ccc(-c2ccc(B(O)O)s2)cc1	199477058	VIQKTJYFEPBJDG-UHFFFAOYSA-N	218.086	1.403	50	50	BDGA	
O=C(N/N=C/c1cccc(O)c1)c1ccco1	227746	FRGIBITUESJKJS-MDWZMJQESA-N	230.223	1.749	50	50	BDGA	
O=C(CCl)CNc1ccc(C(=O)O)cc1	215642731	ISNAXBBXTZWJSV-UHFFFAOYSA-N	227.647	1.605	50	50	BDGA	
N#C/C(=C\c1ccc(F)cc1F)C(=O)O	7155418	UQLFCBBYHQBVQY-XVNBXDOJSA-N	209.151	1.956	50	50	BDGA	
NNC(=O)COc1ccc(Cl)c(Cl)c1	2549406	ZJNOLANCJVKMLD-UHFFFAOYSA-N	235.070	1.362	50	50	BDGA	
CC[C@H](NNC(C)=O)c1ccc(O)cc1	71773394	RDKRIPFNYKSMOM-NSHDSACASA-N	208.261	1.484	50	50	BDGA	
COc1ccc(S(=O)(=O)S)cc1	11549113	XVPCNGDMHAIYOB-UHFFFAOYSA-N	204.272	1.314	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CC2(CCC2(F)F)C1	1875366050	BEQPVUVMQMLERQ-ZCFIWIBFSA-N	223.650	1.871	50	50	BDGA	
FC(F)(F)CI	51951622	RKOUFQLNMRAACI-UHFFFAOYSA-N	209.936	1.984	50	50	BDGA	in-vitro
OB(O)c1ccc(-c2ccc(Cl)cc2)cc1	169746851	FVKZNRXWZCBUPY-UHFFFAOYSA-N	232.475	1.687	50	50	BDGA	in-vitro
CC(=O)NNc1ccc(Br)cc1	151222	TXIZEHFTRRBEMY-UHFFFAOYSA-N	229.077	1.912	50	50	BDGA	in-vitro
CN(C)c1ccc(/C=N/NC(=O)c2ccco2)o1	434361	BBFDTSDLKHPGJZ-MDWZMJQESA-N	247.254	1.703	50	50	BDGA	
CC(C)COc1cc(Cl)ccc1B(O)O	169934550	OLKLKLXBOXFPJL-UHFFFAOYSA-N	228.484	1.055	50	50	BDGA	
CSc1ncc(NC(=O)CCl)cn1	3130143	YSRPKCCEAFTSFJ-UHFFFAOYSA-N	217.681	1.376	50	50	BDGA	
O=C(Cl)[C@H](O)c1ccc(F)cc1F	263622980	CPMWVJYVNGFUHL-SSDOTTSWSA-N	206.575	1.764	50	50	BDGA	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)Cl)[C@@H]1[C@H]3C2	394278159	CIRZKWZVSXVPPY-UATFONFRSA-N	243.734	1.496	50	50	BDGA	
Cc1cc(C[C@@H](C)NC(=O)CCl)n[nH]1	1319922175	XQMGCIULKSDNEE-ZCFIWIBFSA-N	215.684	1.004	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@H]1CCc2n[nH]cc2C1	1875363848	BNUSORQLBLHBJU-SVRRBLITSA-N	227.695	1.011	50	50	BDGA	
COc1cccc(/C(C)=N/NC(C)=O)c1	4955497	FNQFGMXTYLRPKA-XYOKQWHBSA-N	206.245	1.555	50	50	BDGA	
OB(O)c1cccc2c1oc1ccccc12	169745003	ZXHUJRZYLRVVNP-UHFFFAOYSA-N	212.013	1.266	50	50	BDGA	in-vitro
Cc1c(B(O)O)cc(Cl)c(Cl)c1Cl	169807455	NEKATBSATBTEKT-UHFFFAOYSA-N	239.294	1.635	50	50	BDGA	in-vitro
Cc1ccc(O[C@@H](C)C(=O)NN)cc1C	2726952	HSIVMBBYPVLEEJ-VIFPVBQESA-N	208.261	1.061	50	50	BDGA	in-vitro
C=C[C@H](NC(=O)CCl)C1CCOCC1	1875367561	NZRNCCWMXJXBNN-VIFPVBQESA-N	217.696	1.323	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCOC[C@@H]1[C@H]1CCCO1	1875380582	SRHRLEKZPCMMPF-IVZWLZJFSA-N	247.722	1.020	50	50	BDGA	
C[C@@H]1[C@H](NC(=O)CCl)CC[C@H](CO)C1(C)C	1875376883	LWLUERZXEHOCLO-OPRDCNLKSA-N	247.766	1.775	50	50	BDGA	
CC(C)c1c[nH]nc1CNC(=O)CCl	1875369039	WJHIAIKHXIKIDQ-UHFFFAOYSA-N	215.684	1.388	50	50	BDGA	
NNC(=O)c1ccccc1OCc1ccccc1	529455	WPIKJQNXQSBHPU-UHFFFAOYSA-N	242.278	1.869	50	50	BDGA	
C[C@H](Cc1ccccc1)NC(=O)CCl	1695571	BQURWSQFLNICED-SECBINFHSA-N	211.692	1.973	50	50	BDGA	
N#CC(C#N)=CNc1ccccc1C(=O)O	2543612	XQLSFKXOYYUDOY-UHFFFAOYSA-N	213.196	1.728	50	50	BDGA	
COC(=O)c1cc2ncc(CCCl)cn2n1	34928935	UBPOADLMYHAAET-UHFFFAOYSA-N	239.662	1.297	50	50	BDGA	
CC(C)[C@H]1COC(=O)N1C(=O)CCl	196217577	BMIPCCMPWHPOGN-ZCFIWIBFSA-N	205.641	1.229	50	50	BDGA	
CC1=CC(C)(C)Nc2c(C(=O)NN)cccc21	169681448	XPVYIOIXOGVOJY-UHFFFAOYSA-N	231.299	1.898	50	50	BDGA	
COc1ccc(C)cc1NC(=O)NN(C)C	2172112	QBLVWTLTXVFTHB-UHFFFAOYSA-N	223.276	1.602	50	50	BDGA	
NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1	374081	LDRVFHXEVGRIBM-DTWKUNHWSA-N	210.664	1.433	50	50	BDGA	
COC(=O)c1cccnc1CBr	89157625	RPWHKHJDHYAYKG-UHFFFAOYSA-N	230.061	1.763	50	50	BDGA	in-vitro
NNC(=O)Cc1ccsc1-c1ccccc1	15636716	SCLGVOFFSGAUIH-UHFFFAOYSA-N	232.308	1.948	50	50	BDGA	
COc1ccc(C(=O)O)cc1NC(=O)CCl	6847140	NYUQPJIDMTVXAL-UHFFFAOYSA-N	243.646	1.571	50	50	BDGA	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(N)=S	46355	NEFUCWKDPIMXTJ-YVMONPNESA-N	233.252	1.788	50	50	BDGA	
Cc1cc(C(=O)NNc2ncccc2F)no1	804214581	ZHHYVVSVGUOQTB-UHFFFAOYSA-N	236.206	1.274	50	50	BDGA	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)O	1625449	PRKAGXBESHYXLI-VMPITWQZSA-N	218.168	1.586	50	50	BDGA	
Cc1cc(Cl)ccc1N[C@H](C)C(=O)NN	66324337	PZBYODLDRQPDOT-SSDOTTSWSA-N	227.695	1.439	50	50	BDGA	
CN(C)/C=C(\C#N)S(=O)(=O)C(C)(C)C	1390980	LTBCGLYCZPGFOM-BQYQJAHWSA-N	216.306	1.126	50	50	BDGA	
O=C(CCl)NCc1ccc2nonc2c1	1772495216	QJDRLPIPQIWSHH-UHFFFAOYSA-N	225.635	1.078	50	50	BDGA	
CCOc1ccc(/C=C(\C#N)C(N)=O)cc1	143920	JBVCLCDZCHMRCV-JXMROGBWSA-N	216.240	1.478	50	50	BDGA	
O=Cc1cc([N+](=O)[O-])cc(CCl)c1O	1755976	VPZKJFJWKLYFQD-UHFFFAOYSA-N	215.592	1.852	50	50	BDGA	in-vitro
O=C1OC(=O)c2cc(Br)ccc21	95698332	BCKVHOUUJMYIAN-UHFFFAOYSA-N	227.013	1.760	50	50	BDGA	in-vitro
C#CCOC(=O)Oc1ccc([N+](=O)[O-])cc1	952959780	ZFSTXYJGQDNJRW-UHFFFAOYSA-N	221.168	1.743	50	50	BDGA	
O=C(CCl)N1CCC(O[C@H]2CCOC2)CC1	1328381441	OXPQZUWVHGGBCQ-JTQLQIEISA-N	247.722	1.022	50	50	BDGA	
C/C(=N/NC(=O)c1cnccn1)c1cccs1	28605	AENMUEMRRIRMLH-ZSOIEALJSA-N	246.295	1.692	50	50	BDGA	
C[C@@H](Cl)C(=O)NCc1csc(N(C)C)n1	1875364612	YJPKCHRZUTUXGW-ZCFIWIBFSA-N	247.751	1.453	50	50	BDGA	
O=C(CCl)Nc1ccc2c(c1)OCCO2	3885309	IRXZWUUWXXDGEN-UHFFFAOYSA-N	227.647	1.635	50	50	BDGA	in-vitro
C[C@@H](C(=O)NN)C1=NC(C)(C)Cc2ccccc21	5034874	HNEWIALWNAFTKK-SECBINFHSA-N	245.326	1.436	50	50	BDGA	
OB(O)c1ccc2oc3ccccc3c2c1	169746718	DSSBJZCMMKRJTF-UHFFFAOYSA-N	212.013	1.266	50	50	BDGA	
O=C(NNC(=O)C1CC1)C1CCCCC1	3299215	CHOKXXSKDDIBPA-UHFFFAOYSA-N	210.277	1.124	50	50	BDGA	
N#CSCCOCCOCCSC#N	101365823	DEMPVMJBJLVQHM-UHFFFAOYSA-N	232.330	1.448	50	50	BDGA	
Cc1ccccc1C(=O)NC(=O)CCl	214480836	WPJGWYAWJQYXSL-UHFFFAOYSA-N	211.648	1.490	50	50	BDGA	
O=C(Cl)[C@H]1CN(Cc2ccccc2)CCO1	19851648	GWZAPYIZGOEFDI-LLVKDONJSA-N	239.702	1.653	50	50	BDGA	
O=C(NN=C1CCCC1)c1cccnc1	273333	POKYLLYEDMFXIT-UHFFFAOYSA-N	203.245	1.741	50	50	BDGA	
CCOC(=O)NN[C@H](C)c1ccccc1	2027385	MSIUIUDKTKNUET-SECBINFHSA-N	208.261	1.998	50	50	BDGA	in-man
O=C1OC(=O)[C@@]23CC=CC[C@]12CC1(CC1)C3	104952549	CHLUUHUVVOOFFI-STQMWFEESA-N	218.252	1.967	50	50	BDGA	
CN1CCC[C@@H](NNC(=O)c2ccccc2)CC1	34205917	HJCSHXABAVJCGJ-CYBMUJFWSA-N	247.342	1.405	50	50	BDGA	in-vitro
COCCn1c(C)cc(/C=C(\C#N)C(=O)O)c1C	2643786	RUHQBZZARREQTJ-KPKJPENVSA-N	248.282	1.743	50	50	BDGA	
O=C(Cc1ccccc1)N/N=C/c1ccccn1	438691	GJEPRVRFKPKKIZ-LFIBNONCSA-N	239.278	1.774	50	50	BDGA	
C[C@H](Cl)C(=O)Nc1ccccc1C(N)=O	4219027	XWCPEJWYBOULRM-LURJTMIESA-N	226.663	1.351	50	50	BDGA	in-vitro
Cc1nc(CCNC(=O)[C@H](C)Cl)c(C)o1	1875366444	KGSUEMGODIUNLO-LURJTMIESA-N	230.695	1.577	50	50	BDGA	
O=C(N/N=C/c1ccco1)c1ccco1	28623	KWEJBGUDJIFYQL-YRNVUSSQSA-N	204.185	1.637	50	50	BDGA	
OC[P+](CO)(c1ccccc1)c1ccccc1	68569432	HKLGAFMOMIAUJK-UHFFFAOYSA-N	247.254	1.555	50	50	BDGA	
CO[C@@H]1CC[C@@H]2N[C@H](Cl)C[C@H](C(=O)O)[C@@H]2C1	254866267	CWGRCZUHVKLQCS-MBGOZMDMSA-N	247.722	1.429	50	50	BDGA	
C=C(C)C(=O)OCCC[Si](OC)(OC)OC	169743119	XDLMVUHYZWKMMD-UHFFFAOYSA-N	248.351	1.374	50	50	BDGA	in-vitro
CNc1ccccc1C(=O)NCCCl	4575469	JNMHUHQPDUSNFY-UHFFFAOYSA-N	212.680	1.697	50	50	BDGA	
O=C(NN/C=C/c1ccccc1O)c1ccco1	4949395	FJAQZJVXIPLBEQ-BQYQJAHWSA-N	244.250	1.891	50	50	BDGA	
Cc1cc(C(=O)N/N=C/c2cccs2)no1	373112	IZWBZDOJWQFYTC-IZZDOVSWSA-N	235.268	1.808	50	50	BDGA	
Cc1nc2n(c(=O)c1CCCl)CCCC2	13723213	CMWCQQUYLPYOMY-UHFFFAOYSA-N	226.707	1.669	50	50	BDGA	in-vitro
C[C@@H](CO)[C@H](O)CO[Si](C)(C)C(C)(C)C	169836157	WJZACLIFBANVSC-VHSXEESVSA-N	234.412	1.998	50	50	BDGA	
COc1cccc(NC(=S)NNC(C)=O)c1	6317949	YLNOVWFVKPRIEN-UHFFFAOYSA-N	239.300	1.033	50	50	BDGA	
CC1(C)[C@@H](O)[C@H]2CCCN(C(=O)CCl)[C@H]21	1875375027	ONPRFAGIPOBFBB-SFGNSQDASA-N	231.723	1.233	50	50	BDGA	
Cc1cc(O)nc(NC(=O)CCl)c1	1875375133	RUOLYSVJLVWJTH-UHFFFAOYSA-N	200.625	1.273	50	50	BDGA	
Cc1occc1C(=O)N/N=C/c1ccc[nH]1	434986	HUBOAJQJTAYPGC-NTUHNPAUSA-N	217.228	1.680	50	50	BDGA	
C[C@@H]1C[C@H]1C(=O)NC(C#N)=C(Cl)Cl	1775965286	ZBIDVQDMLWGZAZ-RFZPGFLSSA-N	219.071	1.929	50	50	BDGA	
COc1ccc(OC)c(CCN=C=O)c1	11802386	QUOSISUJAVFTPN-UHFFFAOYSA-N	207.229	1.582	50	50	BDGA	
CO[Si](OC)(OC)c1ccc(C)cc1	169902976	XQEGZYAXBCFSBS-UHFFFAOYSA-N	212.321	1.080	50	50	BDGA	
C[C@]1(Cl)CS(=O)(=O)C[C@@H]1Cl	3123303	KFEUDNGJWWGRTJ-WHFBIAKZSA-N	203.090	1.020	50	50	BDGA	
O=C(CCl)Nc1ccc(F)c([N+](=O)[O-])c1	2141546	NNPSKPMFJTXMMY-UHFFFAOYSA-N	232.598	1.911	50	50	BDGA	
O=C(NNc1ccccc1)c1ccncc1	4428887	HUDWXDLBWRHCKO-UHFFFAOYSA-N	213.240	1.839	50	50	BDGA	in-vitro
CC[C@@H](Nc1cccc(Cl)c1)C(=O)NN	66324356	QPVUBPDQIJAMEE-SECBINFHSA-N	227.695	1.520	50	50	BDGA	
NC(=O)C(F)(F)C1CCC(Cl)CC1	91675778	MDSMTBSOVCNMSY-UHFFFAOYSA-N	211.639	1.905	50	50	BDGA	
CN1C(=O)N(CBr)C(=O)C1(C)C	34506888	BBKDOFXVZYMKAC-UHFFFAOYSA-N	235.081	1.011	50	50	BDGA	
CN(C)NC(=O)[C@H]1CC[C@@](C)(C(=O)O)C1(C)C	297151	GEHRKPJONVTCMU-PELKAZGASA-N	242.319	1.106	50	50	BDGA	
COCCOCCOCCO[Si](C)(C)C	202616046	LGPOIKHOZYPSME-UHFFFAOYSA-N	236.384	1.518	50	50	BDGA	
COc1ccc([C@H]2CC(=O)OC2=O)cc1	101477451	GPNZEDFJEGABFE-SECBINFHSA-N	206.197	1.252	50	50	BDGA	in-vitro
O=C(CCl)NCc1noc2ccc(F)cc12	1875367846	RWCMJBNRNDVHPN-UHFFFAOYSA-N	242.637	1.822	50	50	BDGA	
C[C@@H](Cl)C(=O)N(CCC#N)C[C@@H]1CCOC1	1875363666	QLTJJFQCGNAHHX-ZJUUUORDSA-N	244.722	1.392	50	50	BDGA	
CC(C)(C)OC(=O)N1CCN(C(F)=S)CC1	2060477901	KHANLOMTAMLASY-UHFFFAOYSA-N	248.323	1.794	50	50	BDGA	
O=C1c2ccccc2C(=O)N1CCCl	1665955	ZPHGARLYQHMNTB-UHFFFAOYSA-N	209.632	1.521	50	50	BDGA	in-vitro
OB(O)c1ccc(Oc2ccccc2F)cc1	169934781	IQNYGJLCROJQSI-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	in-vitro
O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C3[C@H]4CC[C@@H](C4)[C@]32C1	101140157	MJZLHWNFLMYPLB-AJLYBQLESA-N	230.263	1.678	50	50	BDGA	
CC(C)O[Si](O)(OC(C)C)OC(C)C	170170593	RLYZRADFTORPLZ-UHFFFAOYSA-N	222.357	1.689	50	50	BDGA	
COC(=O)N/N=C(\C)c1ccc(OC)cc1	5282494	FKXIEMKBZTWPIF-XYOKQWHBSA-N	222.244	1.775	50	50	BDGA	
COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	4579488	IUOSQCONBLAUEC-WTKPLQERSA-N	231.207	1.495	50	50	BDGA	
Cc1ccc(S(=O)(=O)NCCCl)cc1	1677426	KQWQFEKDXWRGMD-UHFFFAOYSA-N	233.720	1.512	50	50	BDGA	
O=C(Cl)[C@H]1CC(=O)N(c2ccccc2)C1	22124409	SYAZZCRPLFGGHI-QMMMGPOBSA-N	223.659	1.805	50	50	BDGA	in-vitro
CC(C)N(C(=O)CCl)[C@H]1CCCC[C@@H]1O	1875369705	CDCNZDYZHKCDKI-UWVGGRQHSA-N	233.739	1.766	50	50	BDGA	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN	133825	ZASHHUFHMQDNNE-RXMQYKEDSA-N	249.097	1.751	50	50	BDGA	
O=C1Nc2ncccc2O[C@H]1CCCl	1393724	QCXJHKLAPBGIIP-ZETCQYMHSA-N	212.636	1.410	50	50	BDGA	
Cc1cc(OCc2ccccc2)ccc1B(O)O	169743922	VCDFDGOVNBMYRW-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	in-vitro
C[Si](C)(C)OC(=O)CBr	169743109	ZCHHFMWUDHXPFN-UHFFFAOYSA-N	211.131	1.759	50	50	BDGA	in-vitro
O=C(Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1641093	NNOHXABAQAGKRZ-UHFFFAOYSA-N	230.563	1.882	50	50	BDGA	in-vitro
NC(=O)NC(=O)[C@H](Cl)c1ccccc1	1680039	LEJPVKTZROTWBE-SSDOTTSWSA-N	212.636	1.161	50	50	BDGA	in-vitro
CCCCCCc1ccc(B(O)O)cc1	169744814	CFYBKGAFWFRFRJ-UHFFFAOYSA-N	206.094	1.489	50	50	BDGA	
O=C(CBr)NCc1ccccn1	41713414	TTWOYBPJAZBLJP-UHFFFAOYSA-N	229.077	1.093	50	50	BDGA	
CO[Si](OC)(OC)c1cccc2ccccc12	169747779	ZSOVVFMGSCDMIF-UHFFFAOYSA-N	248.354	1.925	50	50	BDGA	in-vitro
O=C(CCl)NCC1CC(n2ccnc2)C1	725269352	SHNLRJLYVMLSFU-UHFFFAOYSA-N	227.695	1.189	50	50	BDGA	
NCC(=O)NN(c1ccccc1)c1ccccc1	192809356	UXCZBPWHRKFBLJ-UHFFFAOYSA-N	241.294	1.815	50	50	BDGA	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN	265147	BBRKRFSNWOXEKX-SECBINFHSA-N	230.267	1.597	50	50	BDGA	in-vitro
N#Cc1ccc(CNC(=O)CCl)s1	1875377984	SOVXFFZDZDFOQM-UHFFFAOYSA-N	214.677	1.475	50	50	BDGA	
COC(=O)c1cccc(SC#N)c1N	306882741	NSPBNIIWWZPNNF-UHFFFAOYSA-N	208.242	1.629	50	50	BDGA	
Cc1cc(C(=O)NNc2cccc(F)n2)no1	804766003	FMCQYQLYAYZUAI-UHFFFAOYSA-N	236.206	1.274	50	50	BDGA	
O=C(Br)CBr	3860232	LSTRKXWIZZZYAS-UHFFFAOYSA-N	201.845	1.303	50	50	BDGA	in-vitro
Cc1cccc(B(O)O)c1OCc1ccccc1	169844680	UULANZGAYLJKDW-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	
NNC(=O)Cc1c(F)cccc1Cl	2568934	JFQBTQNVMZJVLN-UHFFFAOYSA-N	202.616	1.012	50	50	BDGA	in-vitro
O=C(CBr)Nc1cccc(O)c1	14982950	GLFLQHRNECEYSQ-UHFFFAOYSA-N	230.061	1.726	50	50	BDGA	in-vitro
O=C(CCl)NCc1c(F)ccc2nc[nH]c12	1875367749	JQGXHBBDYHXZGO-UHFFFAOYSA-N	241.653	1.557	50	50	BDGA	
OB(O)c1cc(Cl)c(C(F)(F)F)cc1F	1857783703	SUOGUXBQEYQUPD-UHFFFAOYSA-N	242.364	1.178	50	50	BDGA	
NNC(=O)Nc1ccc2sccc2c1	83833592	GAHSNVACBGXPFD-UHFFFAOYSA-N	207.258	1.897	50	50	BDGA	in-vitro
Cc1ccc(/C=N/NC(=O)c2cnccn2)cc1	228560	JWOZQYYTUNWYCE-LZYBPNLTSA-N	240.266	1.549	50	50	BDGA	
O=C(NC1CC1)Oc1ccc([N+](=O)[O-])cc1	118776202	KRBZIKIABVIMJX-UHFFFAOYSA-N	222.200	1.846	50	50	BDGA	
CCCCOc1ccc(B(O)O)cc1Cl	169747762	AOKJNAVCTPBFPJ-UHFFFAOYSA-N	228.484	1.199	50	50	BDGA	in-vitro
CN1C[Si](C)(C)Oc2ccccc2C1=O	195795876	VPODFSRTZXWEBC-UHFFFAOYSA-N	221.332	1.895	50	50	BDGA	
CC(C)(C)C(=O)N[C@@H](O)C(Cl)Cl	262473	BKFVOCGJWYAQHN-YFKPBYRVSA-N	214.092	1.271	50	50	BDGA	
C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccccc1	580383	UEFQVRRFKVMSEL-XNTDXEJSSA-N	242.282	1.872	50	50	BDGA	
O=C1OC(=O)c2nc(Cl)c(Cl)nc21	205219754	LHZDZLPHWGVCCB-UHFFFAOYSA-N	218.983	1.094	50	50	BDGA	
CC(=O)NNc1nc2ccccc2s1	17968046	NIOFVRMZZVLLAK-UHFFFAOYSA-N	207.258	1.759	50	50	BDGA	
C[C@H](Br)C(=O)NC(C)(C)C	6020082	ASGVEEBOYNWWJR-YFKPBYRVSA-N	208.099	1.685	50	50	BDGA	in-vitro
C/C(NCc1ccccc1)=C(\C#N)C(N)=O	4946725	LDIWWKZTGZKSLK-LUAWRHEFSA-N	215.256	1.059	50	50	BDGA	
O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C[C@H]2C2=C1[C@H]1C=C[C@H]2C1	254736551	OFKIERVADQOMGB-KTZHKNLRSA-N	228.247	1.454	50	50	BDGA	
C[C@@H](CNC(=O)[C@@H](C)Cl)N(C)C1CC1	218348071	YUEUIVRRNHXOJQ-JGVFFNPUSA-N	218.728	1.213	50	50	BDGA	
CO[Si](CC[C@@H]1CC[C@@H]2O[C@@H]2C1)(OC)OC	169746970	DQZNLOXENNXVAD-GARJFASQSA-N	246.379	1.822	50	50	BDGA	in-vitro
CCOC(=O)/C(C#N)=C1/NC=Nc2ccccc21	169385028	JSIWMFJHZXWWSL-ZRDIBKRKSA-N	241.250	1.747	50	50	BDGA	
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)O	3871432	CJMWBHLWSMKFSM-XVNBXDOJSA-N	205.169	1.089	50	50	BDGA	in-vivo
COc1cccc([C@H]2CC(=O)OC2=O)c1	101684632	FBQPQJDZIGJWLI-SECBINFHSA-N	206.197	1.252	50	50	BDGA	
Cc1cc(C(=O)N/N=C/c2cccn2C)no1	373150	HEJVRAYNYFNFLU-KPKJPENVSA-N	232.243	1.085	50	50	BDGA	
O=C(c1ccc(B(O)O)cc1)C1CCCCC1	169934317	NOGXTZOSEOYJPK-UHFFFAOYSA-N	232.088	1.129	50	50	BDGA	in-vitro
CC(C)c1ccc(-c2cc(C(=O)NN)[nH]n2)cc1	5912945	TZRZNQCDYVYNCB-UHFFFAOYSA-N	244.298	1.804	50	50	BDGA	
C=CC(=O)N1CC[C@]2(C)[C@@H](Br)[C@H]2C1	952879695	KUDRRBGXQCQSNE-JEZHCXPESA-N	244.132	1.804	50	50	BDGA	
C[C@H]1CCc2onc(CNC(=O)CCl)c2C1	1875383548	YOTHQCKOZQNRRZ-ZETCQYMHSA-N	242.706	1.654	50	50	BDGA	
CCOC(=O)[C@H](Cc1ccccc1)N=C=O	2572178	LHLIGPDDSKJRQN-NSHDSACASA-N	219.240	1.497	50	50	BDGA	
CCc1[nH]nc2c1[C@H](C(C)C)C(C#N)=C(N)O2	6530633	IEARBULSCUBXKT-SECBINFHSA-N	232.287	1.798	50	50	BDGA	
Cc1nnc(CN(C)C(=O)[C@H](F)Cl)s1	2325897890	LUGLGFUDZXNQRV-LURJTMIESA-N	237.687	1.339	50	50	BDGA	
CC(C)(C)OC(=O)CI	22011973	QYPDJIDQEZDFLS-UHFFFAOYSA-N	242.056	1.763	50	50	BDGA	
COC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1	290431	RCBWIWZZJPDWRU-WEVVVXLNSA-N	233.223	1.481	50	50	BDGA	
CCCCNC(=O)NNC(=O)c1ccco1	2759943	ASMAKRYUVXHWPZ-UHFFFAOYSA-N	225.248	1.024	50	50	BDGA	
CCCCOc1c(C)cc(B(O)O)cc1C	169844699	NOVHHUSAJRKJRC-UHFFFAOYSA-N	222.093	1.162	50	50	BDGA	in-vitro
CC(C)N(C(=O)CCl)[C@@H]1CCCC[C@H]1O	1875369704	CDCNZDYZHKCDKI-NXEZZACHSA-N	233.739	1.766	50	50	BDGA	
CC(C)Oc1ccc(C(F)(F)F)cc1B(O)O	169745130	CHIZGUWFZKIYSO-UHFFFAOYSA-N	248.009	1.172	50	50	BDGA	
O=C(CCl)N[C@H](c1ccc[nH]1)C(F)(F)F	1875378394	BRJUYZCZHBAHSH-SSDOTTSWSA-N	240.612	1.973	50	50	BDGA	
C[C@@H](Cl)C(=O)Nc1ncc(C(=O)O)s1	725256628	YLEFQVRZUFWNKL-GSVOUGTGSA-N	234.664	1.407	50	50	BDGA	
OB(O)c1ccc(OCc2ccccc2F)cc1	169903680	MSMQSLDBKPNEPX-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	
NNC(=O)CNc1cc(Cl)ccc1Cl	3881267	NOLAEIUIWXMNPW-UHFFFAOYSA-N	234.086	1.395	50	50	BDGA	
COc1ccc(NC(=O)CCl)c([N+](=O)[O-])c1	4291301	VXMOZGZTQMIRJA-UHFFFAOYSA-N	244.634	1.781	50	50	BDGA	
Cc1noc([C@H](C)N(C)C(=O)CCl)n1	1327497985	CJGKARXJFVLMHW-YFKPBYRVSA-N	217.656	1.136	50	50	BDGA	
NNC(=O)CCCc1c[nH]c2ccccc12	14517054	HUXWLGPYROJLMI-UHFFFAOYSA-N	217.272	1.481	50	50	BDGA	
CC(C)(C)c1nc(CCl)cc(=O)[nH]1	2575160	AFCJXOQFNHHFMV-UHFFFAOYSA-N	200.669	1.806	50	50	BDGA	in-vitro
CC(C)C[C@@H]1COCC[C@@H]1NC(=O)CCl	1875376615	DBJHRWPVTDGDTE-ZJUUUORDSA-N	233.739	1.793	50	50	BDGA	
Cc1nc(-c2ccccc2)sc1C(=O)NN	109898	GQSOVDYCSQOIJB-UHFFFAOYSA-N	233.296	1.722	50	50	BDGA	
O=C(CCc1ccccc1)NNC(=O)C1CC1	358502	QULIJDMDUGNXRP-UHFFFAOYSA-N	232.283	1.177	50	50	BDGA	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NN	6249393	WOSRIVSCOGEMCI-YFKPBYRVSA-N	232.642	1.236	50	50	BDGA	
O=C(CCl)N[C@H](Cc1ccccc1)C(=O)O	163864	FUHGSOAURCZWCC-SECBINFHSA-N	241.674	1.037	50	50	BDGA	in-vitro
CCOC1(CBr)CCOCC1	157946918	ODVBRXKTAYDZPQ-UHFFFAOYSA-N	223.110	1.967	50	50	BDGA	
CCOc1ccc2ccccc2c1C(=O)NN	2564286	KDFPGGJFCVOWDW-UHFFFAOYSA-N	230.267	1.842	50	50	BDGA	
OB(O)c1cc2ccccc2cc1Cl	223867550	UFWZIXJDUGBBEP-UHFFFAOYSA-N	206.437	1.173	50	50	BDGA	
CCc1ccc(-c2ccc(B(O)O)cc2)cc1	169746834	DEUOTLGHQXNPJY-UHFFFAOYSA-N	226.084	1.596	50	50	BDGA	in-vitro
C[C@H]1CN(C(=O)CCCl)C[C@H](C)O1	19093747	YBQWWSMRKQHSIL-YUMQZZPRSA-N	205.685	1.251	50	50	BDGA	in-vitro
CCOC(=O)C(Br)Br	4284425	NIJGVVHCUXNSLL-UHFFFAOYSA-N	245.898	1.665	50	50	BDGA	biogenic
CC1=C[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]12	254403543	SHNKPHYZJIVILY-JXVKQMKBSA-N	216.236	1.310	50	50	BDGA	
CCc1ccc(/C=C(/C#N)C(N)=O)s1	43788	ZFIVHFMVGUPGOQ-ALCCZGGFSA-N	206.270	1.703	50	50	BDGA	
NCCOCCOCCCCCCCl	108646686	ABAUJBZQEHFSKW-UHFFFAOYSA-N	223.744	1.778	50	50	BDGA	
O=C(CCl)N[C@@H](C(=O)O)c1ccccc1	334342	YZOSWXATEQPYKN-SECBINFHSA-N	227.647	1.167	50	50	BDGA	
CCOc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1	6784138	USHDDGOYLOOKGQ-UHFFFAOYSA-N	246.270	1.079	50	50	BDGA	
CC(=O)NNC(=S)N[C@H](C)c1ccccc1	6525393	FSHWNENZEWVCDV-MRVPVSSYSA-N	237.328	1.263	50	50	BDGA	
CCCOc1ccc2cc(B(O)O)ccc2c1	169926540	JORFDCUJGVKVQD-UHFFFAOYSA-N	230.072	1.308	50	50	BDGA	in-vitro
N#C[C@H](Cc1ccccc1)NC(=O)CCl	1875361751	HTQRMBOLUHFFOV-JTQLQIEISA-N	222.675	1.476	50	50	BDGA	
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CCl	1875364843	VMPWXPYDOBUJBI-VIFPVBQESA-N	246.738	1.085	50	50	BDGA	
C[C@@H](Cl)C(=O)Nc1ccc2c(c1)NC(=O)C2	1875366943	BAUCOLZEAXMVHS-ZCFIWIBFSA-N	238.674	1.747	50	50	BDGA	
CC(C)(C)c1ccccc1OCC(=O)NN	248954	VDDKAAZVSMRYOL-UHFFFAOYSA-N	222.288	1.353	50	50	BDGA	
COCCc1ccc(OC[C@@H](O)CCl)cc1	4071892	MAVSBQOSROXJQJ-NSHDSACASA-N	244.718	1.854	50	50	BDGA	in-vitro
O=C(NCc1ccccc1)[C@H](F)Cl	140263239	UDTJJYOJNBIZJM-QMMMGPOBSA-N	201.628	1.837	50	50	BDGA	
CN(C)NC(=O)[C@@H]1CC[C@](C)(C(=O)O)C1(C)C	4832846	GEHRKPJONVTCMU-QPUJVOFHSA-N	242.319	1.106	50	50	BDGA	
C[C@H](NC(=O)CCl)C(=O)N1CCCC[C@@H]1C	1323269060	JLYLOOLMPARMOY-IUCAKERBSA-N	246.738	1.131	50	50	BDGA	
O=C(NCc1cn2ccccc2n1)[C@@H](F)Cl	2325898114	SVKMMJMOVOIYDI-SECBINFHSA-N	241.653	1.485	50	50	BDGA	
COc1ccccc1[C@H]1CC(=O)OC1=O	101684543	HQXQWVOJQNRHTM-MRVPVSSYSA-N	206.197	1.252	50	50	BDGA	
C[C@@H](OC(C)(C)C)[C@H](N=C=S)C(=O)O	757189725	UQIGFYWOMHRRDH-RQJHMYQMSA-N	217.290	1.746	50	50	BDGA	
NNC(=O)CSCc1c(F)cccc1Cl	16973608	RRUWNQCCTXDXDL-UHFFFAOYSA-N	248.710	1.702	50	50	BDGA	
COc1cccc(/C=C(\C#N)C(N)=O)c1	2493727	CQLYVMVFUXERSA-WEVVVXLNSA-N	202.213	1.087	50	50	BDGA	
OC[C@H](Br)CBr	1693327	QWVCIORZLNBIIC-GSVOUGTGSA-N	217.888	1.137	50	50	BDGA	in-vitro
C[C@@H](Br)C(=O)Nc1nccs1	4735925	VDFJYQWYSQZREP-SCSAIBSYSA-N	235.106	1.865	50	50	BDGA	
IC[C@H]1CCOC1	14983076	UJXHPFDJZCXTQR-RXMQYKEDSA-N	212.030	1.458	50	50	BDGA	in-vitro
NNC(=O)CSCc1cccc(Cl)c1	5568643	RIDIBLZTBMHBRP-UHFFFAOYSA-N	230.720	1.563	50	50	BDGA	
O=C1[C@@H]2[C@@H]3C=C[C@@H]4[C@H]3O[C@H]([C@@H]2Br)[C@H]14	257359104	YMKSLXXFCXAQRL-XBKTXJTDSA-N	241.084	1.148	50	50	BDGA	
O=C(Cl)COc1ccccc1[N+](=O)[O-]	2169646	AEWBGACGIKCIJH-UHFFFAOYSA-N	215.592	1.739	50	50	BDGA	in-vitro
CN(Cc1ncc(C2CC2)o1)C(=O)CCl	1875374849	HDEMPAQQSGZOSO-UHFFFAOYSA-N	228.679	1.749	50	50	BDGA	
C/C(=N\NC(=O)c1ccncc1)c1ccco1	12343267	GNDPAVKYAUIVEB-NTEUORMPSA-N	229.239	1.829	50	50	BDGA	
OB(O)c1cccc([C@@H]2CCC23CCC3)c1	1875389834	RBZFGIKCOFOLLG-LBPRGKRZSA-N	216.089	1.414	50	50	BDGA	
Cc1nnsc1C(=O)NN=C1CCCCC1	4785912	HVJYZCOPOFTFNA-UHFFFAOYSA-N	238.316	1.896	50	50	BDGA	
Cc1ccccc1C(=O)NNC(=O)C(F)(F)F	4954126	PIYQDCFOKGWHGC-UHFFFAOYSA-N	246.188	1.318	50	50	BDGA	
CCc1ccc([C@H]2CC(=O)OC2=O)cc1	101684534	BEQDEKKRLRCUQO-SNVBAGLBSA-N	204.225	1.806	50	50	BDGA	
O=C(CCCl)Nc1nnc(C2CC2)s1	13322622	FFTMFEUGNUKCFR-UHFFFAOYSA-N	231.708	1.983	50	50	BDGA	in-vitro
OB(O)c1cc(F)ccc1OCc1ccccc1	169744848	ULIJNMCAPASXHA-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	
O=C1C=C(NNC(=O)c2ccccc2O)CCC1	4985098	ZNJCDUAQHNVEPO-UHFFFAOYSA-N	246.266	1.264	50	50	BDGA	
Cc1ccc(C(=O)NN=C2CCN(C)CC2)cc1	55071943	GRAIYWFOVRTZES-UHFFFAOYSA-N	245.326	1.806	50	50	BDGA	
CC(C)(C)OC(=O)NCCBr	2583589	TZRQZPMQUXEZMC-UHFFFAOYSA-N	224.098	1.906	50	50	BDGA	in-vitro
Cc1ccccc1Oc1ccccc1B(O)O	170002536	TXIXVFYYKJWEME-UHFFFAOYSA-N	228.056	1.467	50	50	BDGA	
NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	365884	WMOBXLDPECZNAT-UHFFFAOYSA-N	229.283	1.650	50	50	BDGA	biogenic
CCOC(=O)/C(C#N)=C\c1ccccn1	4976933	ZVPIXOUQAVXJRI-CLFYSBASSA-N	202.213	1.552	50	50	BDGA	in-vitro
C[C@]1(CNC(=O)CCl)CCO[C@@H]1C1CC1	1875377214	AVVYPNLSGGQYOL-GHMZBOCLSA-N	231.723	1.547	50	50	BDGA	
BrCc1cn2cccnc2n1	78830	DMNVMTGTABUWEE-UHFFFAOYSA-N	212.050	1.624	50	50	BDGA	
CCc1nc([C@H]2CCCN2C(=O)CCl)no1	1875364719	RPBYGRFNSVKXEA-SSDOTTSWSA-N	243.694	1.534	50	50	BDGA	
CCNC(=O)C1(CNC(=O)[C@H](C)Cl)CCC1	1875378035	UNVGCHHOTLPURD-QMMMGPOBSA-N	246.738	1.036	50	50	BDGA	
CC(C)=NNC(=O)CSc1ccccn1	585145535	BSXDJHCPQXULGN-UHFFFAOYSA-N	223.301	1.686	50	50	BDGA	
CCOC(=O)[C@@H](Br)C(C)C	2042957	WNFUWONOILPKNX-LURJTMIESA-N	209.083	1.969	50	50	BDGA	in-vitro
NNC(=O)c1cc(-c2ccc(Cl)cc2)on1	34928898	LAFWUHGEVDKVFY-UHFFFAOYSA-N	237.646	1.599	50	50	BDGA	
OB(O)c1ccc(OCc2ccccc2)c(F)c1	169743804	DQPDLDQJMUGVGI-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	in-vitro
O=C(N/N=C/c1cccs1)c1ccccn1	227961	CUYQLXSARFEJEG-MDWZMJQESA-N	231.280	1.907	50	50	BDGA	
O=C1c2ccccc2C(=O)N1CCCCl	1687771	FPOGOQMFQWNJNV-UHFFFAOYSA-N	223.659	1.912	50	50	BDGA	in-vitro
Nc1ccc(C(=O)NNC2=CC(=O)CCC2)cc1	275052	PFIGFZHJIJQNRQ-UHFFFAOYSA-N	245.282	1.140	50	50	BDGA	
CCOC(=O)CN/C=C(\C#N)c1ccc(F)cc1	4025090	NTAJUQPNSBROOI-DHZHZOJOSA-N	248.257	1.843	50	50	BDGA	
O=C(CCl)NCC(=O)c1ccccc1F	238556341	ISSGZYCOTWJQOJ-UHFFFAOYSA-N	229.638	1.363	50	50	BDGA	
C[C@H](Br)C(=O)NC1CCCC1	9304509	CBYZXYQNRGOWNF-LURJTMIESA-N	220.110	1.829	50	50	BDGA	in-vitro
CCN1CCC[C@@H]1CNC(=O)C(C)(C)CCl	2152640	RLCOAYIUIZYJOY-SNVBAGLBSA-N	246.782	1.852	50	50	BDGA	
CCOc1ccc(-c2ccc(B(O)O)cc2)cc1	169747377	ZFFXATWYKJBSCC-UHFFFAOYSA-N	242.083	1.432	50	50	BDGA	in-vitro
CCn1[nH]c(=NC(=O)[C@@H](F)Cl)cc1C1CC1	2325898725	XCNJCZRMNJZABE-SECBINFHSA-N	245.685	1.675	50	50	BDGA	
Cc1ccc(/C=N/NC(=O)c2ccco2)o1	28621	AEAKHVLJQHZKSY-KPKJPENVSA-N	218.212	1.945	50	50	BDGA	
COC[C@@]1(NC(=O)[C@@H](C)Cl)CC=CCC1	1875369036	NQVJPNCLSJMQQM-MWLCHTKSSA-N	231.723	1.855	50	50	BDGA	
NN(CC(F)(F)F)C(=O)OCC(F)(F)F	757126981	JIODHLLOWRRMLR-UHFFFAOYSA-N	240.103	1.423	50	50	BDGA	
O=C(N/N=C/c1ccco1)c1ccc(O)cc1O	223079	CNYPTRYJFGXEOD-NTUHNPAUSA-N	246.222	1.455	50	50	BDGA	
CC(C)(NC(=O)CCl)[C@@H](O)c1ccccc1	1875378019	UDDISBUJOSCPOA-NSHDSACASA-N	241.718	1.854	50	50	BDGA	
C=C(C)CNC(=S)NNC(=O)c1ccccc1	3071128	VZTDNEBJKUMZNT-UHFFFAOYSA-N	249.339	1.372	50	50	BDGA	
CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	3093514	PNBQKDHIEMSGBS-UXBLZVDNSA-N	207.189	1.065	50	50	BDGA	
OB(O)c1ccc(F)cc1OCc1ccccc1	169745007	IFPQNCKVOQKEIU-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	
O=C(CCl)N1CO[C@H]2CCCC[C@@H]2C1	1875377441	DSHYUQLCHWEPJP-BDAKNGLRSA-N	217.696	1.600	50	50	BDGA	
CC(C)(C)OC(=O)N1CCN(C(=O)Cl)CC1	34485836	NCIQNWYJLAAFAH-UHFFFAOYSA-N	248.710	1.898	50	50	BDGA	
O=C1c2ccccc2C(=O)[C@H](Cl)[C@@H]1O	100705982	DOGINPBVOYYUHF-XVKPBYJWSA-N	210.616	1.034	50	50	BDGA	
N#CCC(=O)NN=Cc1ccc2c(c1)CCC2	16920037	SKOCQMRINLUPCK-UHFFFAOYSA-N	227.267	1.539	50	50	BDGA	
COC(=O)c1cc(N=C=O)cc(C(=O)OC)c1	2384732	JHCYWIFFIHXGAG-UHFFFAOYSA-N	235.195	1.227	50	50	BDGA	
O=C(O)C(F)(F)[C@@H](F)Br	2529869	PPQMRWFTOFYPQO-PVQJCKRUSA-N	206.945	1.397	50	50	BDGA	
Cc1nnc([C@@H](C)NC(=O)[C@H](C)Cl)s1	307595347	KEAMEZYODCQAKH-CRCLSJGQSA-N	233.724	1.651	50	50	BDGA	
C[C@@H]1[C@@H](c2ccccc2)NCC[C@]1(O)C#N	102596578	XGKYKJBSKOHGSD-WXHSDQCUSA-N	216.284	1.612	50	50	BDGA	
CCn1cc(NC(=O)CCl)c(C)n1	2536505	IFCPJCYZNMTQGO-UHFFFAOYSA-N	201.657	1.389	50	50	BDGA	in-vitro
CC[C@@]1(C)COCC[C@@H]1NC(=O)CCl	1875375131	RTUQAHNWINDPQX-WPRPVWTQSA-N	219.712	1.547	50	50	BDGA	
COc1cccc(CCNC(=O)CCl)c1	3608550	HPHJTWKPQRPOLN-UHFFFAOYSA-N	227.691	1.593	50	50	BDGA	
CC(C)(C)OC(=O)NCCCCCC(=O)NN	26476339	LGCRHWFCTHTSHD-UHFFFAOYSA-N	245.323	1.061	50	50	BDGA	
Cc1ccc(-c2ccc(B(O)O)c(F)c2)cc1	215760098	MYHSTSVKRIAPRG-UHFFFAOYSA-N	230.047	1.481	50	50	BDGA	
CCc1nnc(NC(=O)CCl)s1	123161	GBCHYYJDLIXCPN-UHFFFAOYSA-N	205.670	1.278	50	50	BDGA	in-vitro
CCn1nccc1C(=O)NC1=C(C#N)CCC1	372222	SJLIGIHNAVEWAO-UHFFFAOYSA-N	230.271	1.594	50	50	BDGA	
COC(=O)[C@H](Cl)Cc1cccc([N+](=O)[O-])c1	2160358	FEMKPUUVUBPUKD-SECBINFHSA-N	243.646	1.918	50	50	BDGA	
COC(=O)c1ccc(/C=C(\C#N)C(N)=S)cc1	2882931	VYPHHXPHTWDMQW-UXBLZVDNSA-N	246.291	1.666	50	50	BDGA	
OB(O)c1cccc(Oc2ccc(F)cc2)c1	170002747	HAYLWLXZRMEDJJ-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	
CO[C@H](CCl)n1nnc2ccccc21	5356466	AYNZQIDTMXAFLO-SECBINFHSA-N	211.652	1.815	50	50	BDGA	
C[C@@H](Br)[C@H](Br)C(=O)O	1693331	HESQKTULJLBDRF-GBXIJSLDSA-N	245.898	1.618	50	50	BDGA	biogenic
CC(C)(CCl)C(=O)N[C@H]1CCCNC1	675060417	YPAPEZWPVJGBEI-QMMMGPOBSA-N	218.728	1.120	50	50	BDGA	
O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H](CCCC3)[C@@H]12	101017982	URCPRWSOPFAFOE-ZYUZMQFOSA-N	206.241	1.678	50	50	BDGA	
O=C1OC(=O)[C@]2(Br)[C@H]3C=C[C@@H](C3)[C@H]12	254736097	CLTOWDKISUFHLB-CRBZEHORSA-N	243.056	1.026	50	50	BDGA	
OB(O)c1ccc(-c2ccccc2)s1	169794551	RBSMKSPHBJFXCJ-UHFFFAOYSA-N	204.059	1.095	50	50	BDGA	in-vitro
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN)c1	6233643	GFSYSNACBDIEIP-ZETCQYMHSA-N	228.679	1.406	50	50	BDGA	in-vitro
O=C(NN=C1CCCC1)c1ccncc1	28204	WFWRZAGLLHCXCM-UHFFFAOYSA-N	203.245	1.741	50	50	BDGA	
O=c1c(Cl)c(Cl)cnn1CCl	3130417	VBEUIQSKUWJLSL-UHFFFAOYSA-N	213.451	1.746	50	50	BDGA	
Cc1cc(OCC(=O)NN)cc(C)c1Cl	63739	IESQBZMQMDXTCE-UHFFFAOYSA-N	228.679	1.326	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)N1CC[C@@H](c2nccn2C)C1	1875378242	XYWCSYMWXJIPAV-RKDXNWHRSA-N	241.722	1.363	50	50	BDGA	
CO[Si](OC)(c1ccccc1)c1ccccc1	169746894	AHUXYBVKTIBBJW-UHFFFAOYSA-N	244.366	1.536	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)c1cccc(C(=O)O)n1	169794969	DUXXDISKTZHATN-YFKPBYRVSA-N	213.620	1.590	50	50	BDGA	
N#CC(C#N)=CN1CCN(c2ccccc2)CC1	367018	WYROMVFNTKOQSG-UHFFFAOYSA-N	238.294	1.740	50	50	BDGA	
CCOc1ccccc1CNC(=O)CCl	32920020	HBCJSJVZLWDOOP-UHFFFAOYSA-N	227.691	1.940	50	50	BDGA	
C=CC(=O)NC[C@]1(C)C[C@@H]1Br	952879984	BAEUTZJGLOBMRT-XPUUQOCRSA-N	218.094	1.462	50	50	BDGA	
CCc1ncc(F)cc1NC(=O)CCl	1875378091	VOSUHTGQORWZJF-UHFFFAOYSA-N	216.643	1.960	50	50	BDGA	
O=c1[nH]c2ccccc2nc1CBr	16955532	SOTAKCFOTFCVSS-UHFFFAOYSA-N	239.072	1.818	50	50	BDGA	
OB(O)c1ccc(CNc2ccc(F)cc2)cc1	169809331	CSNVMFZDDMXQIV-UHFFFAOYSA-N	245.062	1.118	50	50	BDGA	
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]1CO	169834129	GQXMFAIYVGQEJP-RKDXNWHRSA-N	218.369	1.768	50	50	BDGA	
COC(=O)c1cc(C(=O)CCl)c(C)o1	1857784718	AZOQONUQTYUNFY-UHFFFAOYSA-N	216.620	1.796	50	50	BDGA	
O=S(=O)(c1ccccc1)[N@]1C[C@@H]1CCl	1857525292	SQTMFYHGMHORHJ-GZMMTYOYSA-N	231.704	1.298	50	50	BDGA	
CCc1c(C(=O)CCl)[nH]c(C)c1C(N)=O	1857778850	KEXLMBOAYNMBKL-UHFFFAOYSA-N	228.679	1.406	50	50	BDGA	
Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)Cl	1875363819	AYJQBXPOQVNZHI-HTRCEHHLSA-N	242.710	1.165	50	50	BDGA	
Cc1cccc(O/C(C=O)=C/N(C)C)c1	39260742	MWLJWFNIPIESQU-XYOKQWHBSA-N	205.257	1.976	50	50	BDGA	
O=C(CBr)C1CCOCC1	39055434	HYZSWXALTGLKSD-UHFFFAOYSA-N	207.067	1.377	50	50	BDGA	in-vitro
CCCCSc1ccc(B(O)O)cc1	169835154	BZLVENAORLQLEA-UHFFFAOYSA-N	210.107	1.259	50	50	BDGA	in-vitro
COC(=O)N/N=C/c1ccc2c(c1)CCCO2	5669580	YOWRTQBFYDMICU-MDWZMJQESA-N	234.255	1.702	50	50	BDGA	
CC(C)(CNC(=O)CCl)C1=CCOCC1	1875367674	CUWPXPZBLRHCJY-UHFFFAOYSA-N	231.723	1.714	50	50	BDGA	
C#CCOc1ccc(CNC(=O)CCl)cc1	1875374903	JCJXPUKVNOEKIQ-UHFFFAOYSA-N	237.686	1.554	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCOC[C@@H]1[C@@H]1CCCO1	1875380580	SRHRLEKZPCMMPF-AEJSXWLSSA-N	247.722	1.020	50	50	BDGA	
N#C/C(=C\c1ccncc1Cl)C(=O)O	4541905	QXWWGHDCNQOZPF-XVNBXDOJSA-N	208.604	1.727	50	50	BDGA	
C[C@H](Cl)C(=O)N(CCC#N)C[C@H]1CCOC1	1875363665	QLTJJFQCGNAHHX-VHSXEESVSA-N	244.722	1.392	50	50	BDGA	
CCc1nocc1CN(C)C(=O)[C@@H](C)Cl	1875366099	LWGPNXWGYJVLMS-SSDOTTSWSA-N	230.695	1.823	50	50	BDGA	
CCCOc1ccccc1/C=N/NC(N)=O	1923337	CALANLIQWQFMJL-MDWZMJQESA-N	221.260	1.478	50	50	BDGA	
C=CC(=O)OC[Si](OCC)(OCC)OCC	196510004	WDUXKFKVDQRWJN-UHFFFAOYSA-N	248.351	1.303	50	50	BDGA	
Cc1cccc(-c2ccc(B(O)O)cc2)c1	169844713	ZMAZTBOWJCUUAW-UHFFFAOYSA-N	212.057	1.342	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)Nc1cnc2c(c1)COCC2	1875378261	YIDNBRIKKFEWPA-ZETCQYMHSA-N	240.690	1.720	50	50	BDGA	
CCOC(=O)C(C#N)=Cc1ccc2c(c1)OCO2	1857790896	RYGTWDAUOUMNRA-UHFFFAOYSA-N	245.234	1.885	50	50	BDGA	
O=C(N/N=C/c1cccs1)c1ccncc1	61617	VQHKTXKJAYPSHY-MDWZMJQESA-N	231.280	1.907	50	50	BDGA	
BrC[C@H]1CN2C=CC=CC2=N1	100952074	IVDGEHGGFHKCAF-ZETCQYMHSA-N	213.078	1.548	50	50	BDGA	
OB(O)c1ccccc1Oc1ccc(F)cc1	170002488	DUZUFXCNHAMELI-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	
COC(=O)[C@@H](Br)CC(F)(F)F	79387346	IGMSVJMQSABMQX-VKHMYHEASA-N	234.999	1.875	50	50	BDGA	
O=C(NNc1ccccc1)[C@H]1CCCCN1	238611367	MQARDQCYLATSGA-LLVKDONJSA-N	219.288	1.272	50	50	BDGA	
CC[C@@H]1S[C@H](C)CC(=NNC(N)=O)[C@H]1C	252678266	CXEKRAUJXURPPU-BHNWBGBOSA-N	229.349	1.951	50	50	BDGA	
O=C(NNC(=O)c1cccs1)c1ccncc1	269159	DAZDRUTWZMGUSQ-UHFFFAOYSA-N	247.279	1.218	50	50	BDGA	
NC(CBr)CBr	3051279	XRPORTPXUPFQRX-UHFFFAOYSA-N	216.904	1.104	50	50	BDGA	
COC(=O)c1cccc(NC(=O)CCl)c1	3109897	FRBYDITWHMOOIR-UHFFFAOYSA-N	227.647	1.651	50	50	BDGA	in-vitro
CCCCCc1ccc(B(O)O)c(F)c1F	169872213	PXDXQWYWQJYZHF-UHFFFAOYSA-N	228.047	1.377	50	50	BDGA	
OB(O)c1cccc(C(F)(F)F)c1Cl	169747911	NEHJDQKHVZYUAA-UHFFFAOYSA-N	224.374	1.039	50	50	BDGA	
Cc1nn2c(=O)cc(CCl)nc2s1	4200499	VWZAWQBMXFFSRM-UHFFFAOYSA-N	215.665	1.198	50	50	BDGA	in-vitro
NNC(=O)Nc1cccc(C(F)(F)F)c1	2528163	KALJZHYDUIZASO-UHFFFAOYSA-N	219.166	1.701	50	50	BDGA	in-vitro
C[C@H]1CN(C(=O)CCl)Cc2cccn21	1875377514	GFCYWFZNJJKWQJ-QMMMGPOBSA-N	212.680	1.630	50	50	BDGA	
O=C(NNc1ccccc1)c1ccc[nH]1	132313107	MKSGGGKRMVACJA-UHFFFAOYSA-N	201.229	1.772	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCn2ncc(Cl)c2C1	1875367984	GLFFXFHERYSUIG-LURJTMIESA-N	248.113	1.506	50	50	BDGA	
O=C(CCl)NCc1ccnn1[C@@H]1CC1(F)F	1875369165	WZVCAAJYURZWQU-SSDOTTSWSA-N	249.648	1.318	50	50	BDGA	
CC(=O)Oc1coc(CCl)cc1=O	71774231	SVILKLQNOJRWRJ-UHFFFAOYSA-N	202.593	1.304	50	50	BDGA	
COc1cc(C(=O)N(C)CCCl)ccn1	169726163	AZGCOJXABUWXBP-UHFFFAOYSA-N	228.679	1.401	50	50	BDGA	
Cc1noc(CCCNC(=O)[C@H](C)Cl)n1	1875364112	IQDCNNXSUWLFOL-LURJTMIESA-N	231.683	1.054	50	50	BDGA	
CCCC(=O)NNC(=S)Nc1ccccc1	1994089	KNMFWFANKWEKJQ-UHFFFAOYSA-N	237.328	1.804	50	50	BDGA	
COc1cc(C=C(C#N)C#N)cc(O)c1O	15332	DWZFIFZYMHNRRV-UHFFFAOYSA-N	216.196	1.537	50	50	BDGA	
O=C(NNC(=O)c1ccco1)c1ccccc1	54840	LYRPEDZAGKNIQD-UHFFFAOYSA-N	230.223	1.354	50	50	BDGA	
O=C(NNC(=O)c1cccnc1)c1ccccc1	123602	OBVBBNKEUHZZLJ-UHFFFAOYSA-N	241.250	1.156	50	50	BDGA	
O=C(CCl)Nc1ncc(C(=O)O)s1	226015458	DYGYCSYGKRQRRR-UHFFFAOYSA-N	220.637	1.019	50	50	BDGA	
C[N+]1(CCCl)CC[N+](C)(CCCl)CC1	1461373	BCVQWHWILUCUOU-UHFFFAOYSA-N	241.206	1.371	50	50	BDGA	
ClCc1nnnn1Cc1ccccc1	9664686	GAXBVDIQHTZHGF-UHFFFAOYSA-N	208.652	1.460	50	50	BDGA	in-vitro
Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1	4821208	INHQAJGFVSLEIZ-UHFFFAOYSA-N	233.271	1.558	50	50	BDGA	
COc1ccc(NC(C#N)=C(C#N)C#N)cn1	2543388	JDMZWJQXMNXKRY-UHFFFAOYSA-N	225.211	1.327	50	50	BDGA	
CN(C)[P+](Br)(N(C)C)N(C)C	100010704	GQKVINJBYYRJRF-UHFFFAOYSA-N	243.109	1.744	50	50	BDGA	in-vitro
CCCCOc1ccc(OCC(=O)NN)cc1	2892987	RULFQOFONFNFQQ-UHFFFAOYSA-N	238.287	1.234	50	50	BDGA	
COc1cc(C2(NC(=O)CCl)CC2)ccn1	1875379719	VJJQTAYRUOFLIM-UHFFFAOYSA-N	240.690	1.434	50	50	BDGA	
N#C[C@H](NC(=O)CCl)c1ccsc1	306174099	LLUCUBFYRCVULG-ZETCQYMHSA-N	214.677	1.668	50	50	BDGA	
O=S(=O)(CCl)Cc1ccc(F)cc1	45069291	PCWNHMHWHNKTHH-UHFFFAOYSA-N	222.668	1.937	50	50	BDGA	
NN(C(=O)OCC(F)(F)F)c1ccccn1	757127541	LIVAEAOLRGMMCE-UHFFFAOYSA-N	235.165	1.461	50	50	BDGA	
Cc1[nH]nc(C(=O)Cl)c1Br	217041119	KLRCGTPUNPUECA-UHFFFAOYSA-N	223.457	1.860	50	50	BDGA	in-vitro
O=C(CCl)Nc1nc2ccccc2[nH]1	5387676	ZBCXNGGSMCVRHL-UHFFFAOYSA-N	209.636	1.740	50	50	BDGA	in-vitro
OB(O)c1cc(Cl)c(Cl)c(Cl)c1	169746892	KTEXVCMJBYWOSG-UHFFFAOYSA-N	225.267	1.327	50	50	BDGA	in-vitro
C[C@H]1C[C@H]1C(=O)NC(C#N)=C(Cl)Cl	1775965281	ZBIDVQDMLWGZAZ-CRCLSJGQSA-N	219.071	1.929	50	50	BDGA	
CS(=O)(=O)c1ccc(C(=O)Cl)cc1	20248490	IPEIDGXNXFPGBG-UHFFFAOYSA-N	218.661	1.469	50	50	BDGA	in-vitro
Cc1cc(C)n(C2CN(C(=O)[C@@H](C)Cl)C2)n1	1875363987	GVXUVQIYWMKFEA-SECBINFHSA-N	241.722	1.511	50	50	BDGA	
C=CC(=O)N1CC[C@]2(C)[C@H](Br)[C@H]2C1	952879696	KUDRRBGXQCQSNE-QNSHHTMESA-N	244.132	1.804	50	50	BDGA	
O=S(=O)(CCCl)Cc1ccccc1	163727	CKNUUVURUUCDGT-UHFFFAOYSA-N	218.705	1.840	50	50	BDGA	in-vitro
CCC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1	50120	HERMOQICANQEMJ-MNOVXSKESA-N	232.283	1.348	50	50	BDGA	
O=C(CCCO)N/N=C/c1ccc(Cl)cc1	22017316	UDLWAENHZACOIW-MDWZMJQESA-N	240.690	1.563	50	50	BDGA	
O=C(N/N=C/c1ccccc1O)c1ccncc1	2061	VBIZUNYMJSPHBH-OQLLNIDSSA-N	241.250	1.551	50	50	BDGA	in-vitro
OB(O)c1cccc(SC2CCCC2)c1	169951639	YFTSMFMVXAKODL-UHFFFAOYSA-N	222.118	1.401	50	50	BDGA	
C[C@@H](Cl)C(=O)N=c1nc(C(C)(C)C)[nH]s1	1875364776	UAPYPDWGRVGUJB-RXMQYKEDSA-N	247.751	1.823	50	50	BDGA	
CCOC(=O)C(=O)[C@@H](Br)CC	34354405	NLBXGRQESZKPTO-YFKPBYRVSA-N	223.066	1.292	50	50	BDGA	
O=C(N/N=C/c1ccccc1F)c1ccncc1	12375296	ZOENMAIIAUYBFV-CXUHLZMHSA-N	243.241	1.985	50	50	BDGA	
Cc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1	5687218	DSMOQBHBSHXZEQ-RIYZIHGNSA-N	242.282	1.790	50	50	BDGA	
CC(=O)NNC(=S)Nc1ccc(Cl)cc1	6317929	BUHXMDPTLOGNGS-UHFFFAOYSA-N	243.719	1.678	50	50	BDGA	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)Cl)[C@H]1[C@H]3C2	394278158	CIRZKWZVSXVPPY-QFLRJNDWSA-N	243.734	1.496	50	50	BDGA	
NC(=O)c1ccc(NC(=O)CCCl)cc1	5672428	MQDHTDFAHRFZIH-UHFFFAOYSA-N	226.663	1.353	50	50	BDGA	in-vitro
O=C(c1ccc(CCl)cc1)N1CCOCC1	36929909	JBSJBFLZETVSQI-UHFFFAOYSA-N	239.702	1.898	50	50	BDGA	in-vitro
CCO/C=C(\C#N)S(=O)(=O)c1ccccc1	2170095	PUKBSEPGZUQYAT-PKNBQFBNSA-N	237.280	1.862	50	50	BDGA	
CCOC(CI)OCC	37631419	FWNJFIHTBFQKJD-UHFFFAOYSA-N	244.072	1.821	50	50	BDGA	
O=C(CCl)NCc1ccc2c(n1)CCC2	1875369175	XMOFMVPJZRCVMR-UHFFFAOYSA-N	224.691	1.425	50	50	BDGA	
CSc1nc(C)cc(=O)n1CCCl	335459	CMVUIAOASROZNR-UHFFFAOYSA-N	218.709	1.512	50	50	BDGA	
COc1ccccc1C1=CC(=O)OC1=O	59114993	YSCYRLSBPDLBKF-UHFFFAOYSA-N	204.181	1.162	50	50	BDGA	
O=C1c2ccccc2[C@@H](O)N1CCCCl	334163601	YSCATTGHKYTUEE-SNVBAGLBSA-N	225.675	1.762	50	50	BDGA	
OB(O)c1cc(Cl)cc(C(F)(F)F)c1	169743625	VRZOZHNVFRLIPB-UHFFFAOYSA-N	224.374	1.039	50	50	BDGA	in-vitro
COc1ccc(/C=C(\C#N)C(N)=O)cc1OC	143917	UHGNGGISEFEZHE-WEVVVXLNSA-N	232.239	1.096	50	50	BDGA	in-vitro
CCOC(=O)/C(C#N)=C/Nc1ccccn1	13590086	UUFLNGMDHRHDOH-CMDGGOBGSA-N	217.228	1.464	50	50	BDGA	
C[C@@]1(Cl)CS(=O)(=O)C[C@@H]1Cl	3123302	KFEUDNGJWWGRTJ-CRCLSJGQSA-N	203.090	1.020	50	50	BDGA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCl	4181869	JPMQDDKJZPKLFD-UHFFFAOYSA-N	244.634	1.781	50	50	BDGA	
C/C(=N\NC(=O)C1CC1)c1ccccn1	12410310	YFUYZZIADOIPRW-MDWZMJQESA-N	203.245	1.332	50	50	BDGA	
N#CC(C#N)=Cc1cn2ccsc2n1	602993663	UKPBJTAJNQVTOF-UHFFFAOYSA-N	200.226	1.826	50	50	BDGA	
C[C@H](CC1CCOCC1)NC(=O)CCl	1875364174	HLZAVSKVWMOZMM-MRVPVSSYSA-N	219.712	1.547	50	50	BDGA	
C=C(CNC(=O)CCl)C1CCOCC1	1875368195	YHWVSUBSDDOKEB-UHFFFAOYSA-N	217.696	1.324	50	50	BDGA	
COC(=O)c1cccc(CNC(=O)CCl)c1	1441122	JJWREUZQIUWQLD-UHFFFAOYSA-N	241.674	1.328	50	50	BDGA	
COc1cccc(CCN=C=O)c1OC	2526510	TWNQNDPGGHUEGM-UHFFFAOYSA-N	207.229	1.582	50	50	BDGA	
COc1ccc(C2(C(=O)NN)CCCCC2)cc1	259069122	XWQWQHZQPYVEJH-UHFFFAOYSA-N	248.326	1.887	50	50	BDGA	
O=C(CCl)N1CCC(O[C@@H]2CCOC2)CC1	1328381446	OXPQZUWVHGGBCQ-SNVBAGLBSA-N	247.722	1.022	50	50	BDGA	
CC1=C(C)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]12	254714680	BDIHXCWQHPNJAL-MOCCIAMBSA-N	230.263	1.700	50	50	BDGA	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCCN(C=O)CC1	585136553	KLYDYJMESFEETB-AXFHLTTASA-N	230.739	1.024	50	50	BDGA	
C[C@@H]1CCC[C@@H]1N(CCO)C(=O)CCl	1875381178	MOTVDJPRCMMPEU-BDAKNGLRSA-N	219.712	1.235	50	50	BDGA	
CCc1nnc(NC(=O)[C@@H](C)Cl)s1	4079100	OTRRQPRHLHNAKR-SCSAIBSYSA-N	219.697	1.666	50	50	BDGA	in-vitro
Cn1cc(/C=C(\C#N)C(=O)C(C)(C)C)cn1	6823343	WAZYNCGEEOBZGR-BJMVGYQFSA-N	217.272	1.942	50	50	BDGA	
COc1ccc(OC)c2c1C(=O)OC2=O	68568639	LRJYRDODMNDLFR-UHFFFAOYSA-N	208.169	1.014	50	50	BDGA	
O=C(CBr)[C@H]1NCc2ccccc21	263623118	DUFJGMUEYWNFPY-JTQLQIEISA-N	240.100	1.795	50	50	BDGA	
Cc1nn(-c2ccccc2)nc1C(=O)Cl	2510207	UJYBUZMRRLFXGM-UHFFFAOYSA-N	221.647	1.955	50	50	BDGA	in-vitro
CSc1cc(/C=N/NC(N)=O)cs1	334241	DXRAUECWTRQTCZ-YCRREMRBSA-N	215.303	1.472	50	50	BDGA	
C[C@]1(CCl)C[N@]1S(=O)(=O)c1ccccc1	1857524777	RUAPLDLQHBIJCW-JQWIXIFHSA-N	245.731	1.688	50	50	BDGA	
O=C(O)[C@@H](Br)C(F)(F)F	34122770	GIGHXKRXTYSIQA-PVQJCKRUSA-N	206.945	1.397	50	50	BDGA	in-vitro
NNC(=O)c1ccc(N2CCCC2)cc1Cl	12336818	BXTCWOZUJKWICK-UHFFFAOYSA-N	239.706	1.544	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	712905301	DGRMFPYQWYDGNR-JLIMGVALSA-N	243.734	1.688	50	50	BDGA	
CCCCCOCC(=O)NNC(=O)OC(C)C	585089956	XAMONMPNKULYBF-UHFFFAOYSA-N	246.307	1.359	50	50	BDGA	
CC1(C)C=CC[C@H]2C[C@H]2/C1=N\NC(N)=O	43761515	DTJKFXRRDPQKOC-FAQBKWHKSA-N	207.277	1.633	50	50	BDGA	
CCOCC(=O)N(N)c1cccc(C)c1	757127728	MWCDZCIALNBTRL-UHFFFAOYSA-N	208.261	1.238	50	50	BDGA	
Cc1ccc(B(O)O)cc1OCc1ccccc1	169747887	NJDWFMZIGIGFTM-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	in-vitro
CCOC(=O)/C(C#N)=C1/C=CC(Cl)=NN1	13512366	RQDRTNYFCCJKAK-SREVYHEPSA-N	225.635	1.039	50	50	BDGA	
Cc1ccc2nc(CCl)cc(=O)n2c1	3319060	KPABQRQVYRRJPX-UHFFFAOYSA-N	208.648	1.742	50	50	BDGA	in-vitro
CC(C)Cc1ccc([C@H](C)C(=O)NN)cc1	112869	JVDPFQDYGHWBBX-JTQLQIEISA-N	220.316	1.979	50	50	BDGA	
CCCc1nnc(NC(=O)CCl)s1	190687	XKXNVQQIGZKUGR-UHFFFAOYSA-N	219.697	1.668	50	50	BDGA	in-vitro
COCCN(C)NC(=O)c1cccc2cc[nH]c12	288585050	RXFGRDFTNJEFLZ-UHFFFAOYSA-N	247.298	1.391	50	50	BDGA	
CCO[Si](OCC)(OCC)OCC	169743037	BOTDANWDWHJENH-UHFFFAOYSA-N	208.330	1.568	50	50	BDGA	in-vitro
C[C@@H](CO)[C@@H](O)CO[Si](C)(C)C(C)(C)C	169836054	WJZACLIFBANVSC-UWVGGRQHSA-N	234.412	1.998	50	50	BDGA	
O=C(CCl)NCc1cnc(C2CC2)o1	1875366102	MCDURLPCJPKCBP-UHFFFAOYSA-N	214.652	1.407	50	50	BDGA	
COc1cccc(CN(C)C(=O)[C@@H](C)Cl)n1	1875366562	XMTCVNLJWQFKKX-MRVPVSSYSA-N	242.706	1.676	50	50	BDGA	
C[C@H]1CN(C(=O)CCCl)C[C@@H](C)O1	19093744	YBQWWSMRKQHSIL-OCAPTIKFSA-N	205.685	1.251	50	50	BDGA	in-vitro
O=C(Cl)c1cccc(N2C(=O)C=CC2=O)c1	2521303	CIHNCGJBKQNXOG-UHFFFAOYSA-N	235.626	1.495	50	50	BDGA	in-vitro
O=C(O)CN(C(=O)CCl)c1ccccc1	334338	MFUUKPXESMFXBH-UHFFFAOYSA-N	227.647	1.343	50	50	BDGA	
C[C@H]1NC(=O)N(C(C)(C)C)C(=O)[C@H]1Cl	122371	CUHLYCUCQYKUPZ-RITPCOANSA-N	218.684	1.333	50	50	BDGA	
Cn1cccc1CC(=O)N/N=C/c1ccccc1	230846	ASRBODJXWKHSDD-RVDMUPIBSA-N	241.294	1.718	50	50	BDGA	
NNC(=O)c1cc(-c2ccccc2Cl)n[nH]1	390034	GGPMXPMDZNCUFE-UHFFFAOYSA-N	236.662	1.334	50	50	BDGA	
O=C(Nc1nccs1)[C@H](F)CCl	2027838	GMDYYOHSFXNYIL-SCSAIBSYSA-N	208.645	1.659	50	50	BDGA	
COC(=O)C(C)(C)CCBr	34410614	LSEMRAPWMAYTFA-UHFFFAOYSA-N	209.083	1.971	50	50	BDGA	
O=C(CCl)N1CCOc2cccnc2C1	716457476	QUEKKGAGHLPVAT-UHFFFAOYSA-N	226.663	1.041	50	50	BDGA	
CCOC(=O)/C(C#N)=C1/CCOC(C)(C)C1	12403102	VULAFJKFYCZNGX-KTKRTIGZSA-N	223.272	1.959	50	50	BDGA	
Cc1ccn2c(=O)cc(CCl)nc2c1	3319074	VPGYSSGSLPBIFC-UHFFFAOYSA-N	208.648	1.742	50	50	BDGA	in-vitro
COC[C@@H](Br)C(OC)OC	2556970	GAFSXURUCDQGFB-RXMQYKEDSA-N	213.071	1.015	50	50	BDGA	
C[C@H](Cl)C(=O)N(C)[C@H]1CN2CCC1CC2	307467977	LRIIVLRPBZSLAT-WPRPVWTQSA-N	230.739	1.166	50	50	BDGA	
COC(=O)N/N=C(\C)c1ccc(O)cc1	5282493	YTVIYKVVQWUYLE-YRNVUSSQSA-N	208.217	1.472	50	50	BDGA	
CN(C)/C=C(\C#N)C(=O)c1cccs1	139997	JQZFGDHPUCKBHT-BQYQJAHWSA-N	206.270	1.900	50	50	BDGA	
COC(=O)c1sccc1NC(=O)CCl	159477	UQIQUQQCIXVKLY-UHFFFAOYSA-N	233.676	1.712	50	50	BDGA	in-vitro
Cc1ccc(NC(=O)NN(C)C)cc1[N+](=O)[O-]	2170948	GUOMWHUKVVJVSG-UHFFFAOYSA-N	238.247	1.501	50	50	BDGA	
CN(C)CCSSCCN(C)C	1674454	BAEWLQWSDPXZDM-UHFFFAOYSA-N	208.396	1.491	50	50	BDGA	
CC(=O)NNc1ncc(Cl)cc1F	38537549	NNYOKSGJLISDRJ-UHFFFAOYSA-N	203.604	1.337	50	50	BDGA	in-vitro
Cc1noc([C@@H](C)N(C)C(=O)CCl)n1	1327497984	CJGKARXJFVLMHW-RXMQYKEDSA-N	217.656	1.136	50	50	BDGA	
CN(C)NC(=O)Nc1ccc(Cl)cc1	2161952	HULGFKUVDKFEMI-UHFFFAOYSA-N	213.668	1.938	50	50	BDGA	
O=C(CO)N/N=C/c1cccc2ccccc12	175139	PJMFIQZDTYPVPP-RIYZIHGNSA-N	228.251	1.282	50	50	BDGA	
OB(O)c1ccc(OCc2cccc(F)c2)cc1	169903723	HLPBNLKHBWJWNP-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	
COc1ccc(OC)c(/C=C(\C#N)C(=O)O)c1	2565492	TVBGWSXPCSOWJK-WEVVVXLNSA-N	233.223	1.695	50	50	BDGA	
CCCOc1ccc(CC(=O)NN)cc1Cl	20134056	BDRBSDVKRBWGNE-UHFFFAOYSA-N	242.706	1.661	50	50	BDGA	
O=C1[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12	245227107	AMHCEXBDUDDEPZ-VPNVBZBOSA-N	239.112	1.707	50	50	BDGA	
C=CC(=O)NC[C@@]1(C)C[C@H]1Br	952879963	BAEUTZJGLOBMRT-HTRCEHHLSA-N	218.094	1.462	50	50	BDGA	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)O	3201618	LJKHUTHWDPAAIA-BAQGIRSFSA-N	217.180	1.407	50	50	BDGA	
NC(=O)NNC(c1ccccc1)c1ccccc1	16667907	FXELZGRXEDNEDF-UHFFFAOYSA-N	241.294	1.949	50	50	BDGA	
C[C@@H](CCc1ccncc1)NC(=O)CCl	1875368067	OBUUICMVVUSQKF-VIFPVBQESA-N	226.707	1.758	50	50	BDGA	
NC(=O)NNC(=O)Nc1ccc(Cl)cc1	5569815	AFFYKNCYUCOXLD-UHFFFAOYSA-N	228.639	1.045	50	50	BDGA	
Cc1cnc(O)c(NC(=O)CCl)c1	1772572607	BTRMDGSHAQVPNX-UHFFFAOYSA-N	200.625	1.273	50	50	BDGA	
CCCCOc1cc(Cl)ccc1B(O)O	169934558	YYWQEIZDBBRJAQ-UHFFFAOYSA-N	228.484	1.199	50	50	BDGA	
C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)NN	2568665	GIIYFSONVGCEJW-ZCFIWIBFSA-N	248.204	1.463	50	50	BDGA	
CCSc1nnc(NC(=O)CCl)s1	5476142	JUHIFDQOXCZYGK-UHFFFAOYSA-N	237.737	1.827	50	50	BDGA	
[C-]#[N+]CC(=O)Nc1cccc([N+](=O)[O-])c1	216702886	HYFXVESFXHZDKR-UHFFFAOYSA-N	205.173	1.453	50	50	BDGA	
CC(C)(C)NC(=O)N[C@@H](O)C(Cl)Cl	3130883	NHFGYDTZYGBTEN-YFKPBYRVSA-N	229.107	1.206	50	50	BDGA	
C=CC(=O)N1CC[C@]2(C)[C@@H](Br)[C@@H]2C1	952879693	KUDRRBGXQCQSNE-HGNGGELXSA-N	244.132	1.804	50	50	BDGA	
O=C(CCl)NCc1nc2c(F)cccc2o1	1875375275	WYXXJORGUSKHAR-UHFFFAOYSA-N	242.637	1.822	50	50	BDGA	
NC[C@H](Br)CBr	1684688	VKQMAOOHJWXMPL-GSVOUGTGSA-N	216.904	1.104	50	50	BDGA	
Cc1cnc([C@H](C)NC(=O)CCl)o1	231741121	GAAOCGSCQAITAT-LURJTMIESA-N	202.641	1.399	50	50	BDGA	
CC(C)(C)OC(=O)COCCOCCCl	217504330	SXFVGSLYPJXDFE-UHFFFAOYSA-N	238.711	1.600	50	50	BDGA	
CCc1ccc(O[C@H](C)C(=O)NN)cc1	2568674	PWOLWSDGPSFVOT-MRVPVSSYSA-N	208.261	1.006	50	50	BDGA	in-vitro
COc1cc(C=C(C#N)C#N)ccc1O	156100	WKTJJISTXUHPEQ-UHFFFAOYSA-N	200.197	1.831	50	50	BDGA	
CCOC(=O)[C@@H]1C[C@@H]1CBr	117466062	XAUNGMQKDDMMQW-PHDIDXHHSA-N	207.067	1.581	50	50	BDGA	
CCCOc1cc(B(O)O)cc(C(F)(F)F)c1	169933789	XEKCUHISBHHNAN-UHFFFAOYSA-N	248.009	1.174	50	50	BDGA	in-vitro
Cc1sccc1/C=N/NC(=O)C1CC1	439236	QVWOXSHPVPNKHN-IZZDOVSWSA-N	208.286	1.917	50	50	BDGA	
CCOC(=O)N/N=C(\C)c1ccccc1O	5575022	IEXXMWVQEHFCIW-XYOKQWHBSA-N	222.244	1.862	50	50	BDGA	
O=C(N=c1[nH]oc2ccc(F)cc12)[C@@H](F)Cl	2325901460	HEWAFEPRRDOZDA-SSDOTTSWSA-N	246.600	1.862	50	50	BDGA	
Cc1cc(NC(=O)CCBr)no1	2383374	UEIYCKANAJVWSC-UHFFFAOYSA-N	233.065	1.707	50	50	BDGA	
N#C[C@@H](Br)CBr	4529114	ARRIEYYNOLTVTE-VKHMYHEASA-N	212.872	1.668	50	50	BDGA	in-vitro
O=S(=O)(CCl)c1ccc(O)cc1	39270907	VAWDBQGXASBCNW-UHFFFAOYSA-N	206.650	1.362	50	50	BDGA	
Cc1c(C(=O)NN)[nH]c2ccc(F)cc12	47218883	UZZQYWQFPBJNPU-UHFFFAOYSA-N	207.208	1.219	50	50	BDGA	
C[C@@]1(CNC(=O)CCl)CCO[C@H]1C1CC1	1875377218	AVVYPNLSGGQYOL-QWRGUYRKSA-N	231.723	1.547	50	50	BDGA	
O=S(=O)(O)[C@@H](Cl)c1ccccc1	6581843	UAKMCBRMMSMYLT-SSDOTTSWSA-N	206.650	1.812	50	50	BDGA	
COC(=O)[C@H](Br)C(C)(C)C	196441496	OLCDNKISRYJVQH-YFKPBYRVSA-N	209.083	1.969	50	50	BDGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H]1CO	169834131	GQXMFAIYVGQEJP-BDAKNGLRSA-N	218.369	1.768	50	50	BDGA	
O=C(N/N=C/c1ccco1)[C@@H]1CC12CCC2	301511	RZGHZNUXOALYES-XNFYSYIQSA-N	218.256	1.920	50	50	BDGA	
COc1ncccc1CBr	61445092	ZIXRHBYSNLQDQM-UHFFFAOYSA-N	202.051	1.985	50	50	BDGA	in-vitro
N#CSCN1C(=O)c2ccccc2C1=O	71772993	HCRWAIBLCIIQPP-UHFFFAOYSA-N	218.237	1.454	50	50	BDGA	
CCOC(=O)/C(C#N)=C1/C=CN(C)C(C)=N1	13111839	CLEFFSLGCBQTLS-KTKRTIGZSA-N	219.244	1.205	50	50	BDGA	
O=C(CCl)NCc1ccnc(C2CC2)c1	1875375272	WYUBZXXUJDHNOL-UHFFFAOYSA-N	224.691	1.814	50	50	BDGA	
O=C(N/N=C/c1ccco1)[C@H]1CC12CCC2	301509	RZGHZNUXOALYES-SEEODLKFSA-N	218.256	1.920	50	50	BDGA	
C[C@@H]1Oc2ccc(C(=O)CCl)cc2NC1=O	4129306	FXGLAGVWVUQWSL-LURJTMIESA-N	239.658	1.828	50	50	BDGA	in-vitro
CNS(=O)(=O)c1ccc(N=C=S)cc1	19737310	RWAPCVBNVCMXDF-UHFFFAOYSA-N	228.298	1.329	50	50	BDGA	in-vitro
CC(C)(C)[Si](C)(C)OCCOCCN	170177134	BFDRSKJOABFLHC-UHFFFAOYSA-N	219.401	1.984	50	50	BDGA	
CC1(C)CC(=O)C(Br)C(=O)C1	100016430	OCXANUSFMRALNG-UHFFFAOYSA-N	219.078	1.708	50	50	BDGA	
N#CC1=C(NCc2ccccc2)C(=O)NCCC1	20065603	QOVKPUXINOFQSE-UHFFFAOYSA-N	241.294	1.464	50	50	BDGA	
CCC1(C)CC(=O)N(CCCl)C(=O)C1	196140117	DNFZQTYEJQRDKS-UHFFFAOYSA-N	217.696	1.791	50	50	BDGA	
N#CC1=C(N)SC(N)=C(C#N)C1c1ccoc1	19851967	ADNOXOWDUJCUFH-UHFFFAOYSA-N	244.279	1.498	50	50	BDGA	
NC(=O)[C@H](Cl)Cc1ccc([N+](=O)[O-])cc1	3123687	LISKVOKVUFFOOW-MRVPVSSYSA-N	228.635	1.230	50	50	BDGA	
CC1=C[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@H]12	254403558	SHNKPHYZJIVILY-UATFONFRSA-N	216.236	1.310	50	50	BDGA	
CC1(C)CCC(C)(C)c2cc(B(O)O)ccc21	169745162	NXBNRLONOXGRCQ-UHFFFAOYSA-N	232.132	1.715	50	50	BDGA	in-vitro
Cc1ccc(O[C@H](C)C(=O)NN)cc1C	2597431	HSIVMBBYPVLEEJ-SECBINFHSA-N	208.261	1.061	50	50	BDGA	in-vitro
O=C(CBr)NCc1ccco1	9877392	FIMXODYBCGBCRR-UHFFFAOYSA-N	218.050	1.291	50	50	BDGA	in-vitro
NNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1	374084	LDRVFHXEVGRIBM-IUCAKERBSA-N	210.664	1.433	50	50	BDGA	
CCOC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1	121166	WQWLESVDQFOXPT-UXBLZVDNSA-N	247.250	1.871	50	50	BDGA	
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Cl)C1	19485784	RVXRWTIRJZHIJP-BDAKNGLRSA-N	247.722	1.415	50	50	BDGA	in-vitro
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN	117590	XNJKEFANLKRJPC-ZCFIWIBFSA-N	214.652	1.097	50	50	BDGA	
NNC(=O)c1ccc(Cl)c(Cl)c1	153343	VEDIADQJSGNNQE-UHFFFAOYSA-N	205.044	1.597	50	50	BDGA	in-vitro
C=C(C)C(=O)NC(C#N)=C(Cl)Cl	1775976343	LNPRKBZWYFHLCL-UHFFFAOYSA-N	205.044	1.849	50	50	BDGA	
CCOC(C)(OCC)N(N)C(=O)OC(C)(C)C	45074641	CNGTWHVGDGACIE-UHFFFAOYSA-N	248.323	1.844	50	50	BDGA	
Cc1ccc(/N=c2/nc(N)nc(CCl)[nH]2)cc1	18180000	NDCXQFXHUZSBIB-UHFFFAOYSA-N	249.705	1.667	50	50	BDGA	
CCOC(=O)NC(=O)/C(C#N)=C\c1ccccc1	4692954	MFOYMWQVCNNGAQ-FLIBITNWSA-N	244.250	1.866	50	50	BDGA	
O=C(NNc1ccccc1)OCCCl	1676285	USNITRHKQFTWEY-UHFFFAOYSA-N	214.652	1.979	50	50	BDGA	
O=C(CNC1CCCC1)N1CCC[C@@H]1Cl	261494106	QCWWMKMZPAFQIF-SNVBAGLBSA-N	230.739	1.706	50	50	BDGA	
COCCN(CCCl)CCCl	95863897	ILEQWUZHPNITDE-UHFFFAOYSA-N	200.109	1.412	50	50	BDGA	in-vitro
C[C@H](SS[C@@H](C)C(=O)O)C(=O)O	32153600	UTDRPUGFHHVEDG-IMJSIDKUSA-N	210.276	1.314	50	50	BDGA	in-vitro
Cc1nc(C)c2c(n1)O[C@@H](CBr)C2	16848311	LRKSRMVQLTUVOM-SSDOTTSWSA-N	243.104	1.792	50	50	BDGA	
O=C(CCl)NCCc1ccc2c[nH]nc2c1	1875377886	QIHQJNYCWPZCGG-UHFFFAOYSA-N	237.690	1.460	50	50	BDGA	
COCCC1(NC(=O)[C@H](C)Cl)CCC1	1875376434	WQFXLZMKBDYYET-QMMMGPOBSA-N	219.712	1.689	50	50	BDGA	
O=C(CCl)N1CCC2(CCOCC2)C12CC2	1875370685	ZFPXZWPFXADYGA-UHFFFAOYSA-N	243.734	1.787	50	50	BDGA	
Cc1ccc([C@H]2CC(=O)C(C#N)=C(N)C2)o1	100783067	SOHQETJPXURLEC-MRVPVSSYSA-N	216.240	1.771	50	50	BDGA	
CC#CCOc1ccc(C(=O)Cl)cn1	263623087	DNBMGICGZCHUQH-UHFFFAOYSA-N	209.632	1.863	50	50	BDGA	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)[C@H](C)Cl)[C@H]1[C@H]3C2	394278156	CIRZKWZVSXVPPY-OJHQEIPXSA-N	243.734	1.496	50	50	BDGA	
COC1(C(F)(F)CNC(=O)CCl)CCC1	1875368134	SYARDADVGJFWRM-UHFFFAOYSA-N	241.665	1.546	50	50	BDGA	
O=C(CBr)NCc1ccccc1F	41719859	QGWBPABIOGNBIU-UHFFFAOYSA-N	246.079	1.837	50	50	BDGA	
OB(O)c1ccc2cc(Cl)ccc2c1	200303080	ZKSSVXQGTJXFPO-UHFFFAOYSA-N	206.437	1.173	50	50	BDGA	
COc1ccc(CNC(=O)CCCl)cc1	3162920	JNEMVYZJGLKXGF-UHFFFAOYSA-N	227.691	1.940	50	50	BDGA	in-vitro
CC[C@@H](CO)NC(=O)[C@H]1CCCSS1	1875388187	PTBDQHBJQVPLCX-JGVFFNPUSA-N	235.374	1.417	50	50	BDGA	
C[C@H](Cl)C(=O)N1CC2(CCC2(F)F)C1	1875366049	BEQPVUVMQMLERQ-LURJTMIESA-N	223.650	1.871	50	50	BDGA	
O=S(=O)(CCl)[C@@H]1CCCC/C1=N/O	43761462	BMFPYPWVDMCQIO-WRDFDADTSA-N	225.697	1.370	50	50	BDGA	
N#C/C(=C/c1c(F)cccc1Cl)C(N)=O	256275	LGFNVDZPPWHKSL-XQRVVYSFSA-N	224.622	1.871	50	50	BDGA	
O=C1c2ccccc2S(=O)(=O)N1CCl	3045392	RFAHYFCQZDZXLP-UHFFFAOYSA-N	231.660	1.027	50	50	BDGA	in-vitro
O=C(N/N=C/c1cccnc1)c1ccco1	300876	HLTSONUEBAFXNJ-MDWZMJQESA-N	215.212	1.439	50	50	BDGA	
COc1cc(C)c(C)c(C)c1/C=N\NC(N)=O	4532636	XLCGGKWVDQOQOH-NSIKDUERSA-N	235.287	1.623	50	50	BDGA	
C[C@H](Cl)C(=O)NC[C@@H]1CC12CCOCC2	1875368210	YRGDTOIJUWJHNR-IUCAKERBSA-N	231.723	1.547	50	50	BDGA	
CCO[C@@H]1C[C@@H](NC(=O)CCl)[C@]12CCCO2	1875377865	PNZVBFZHLNMYBG-FXPVBKGRSA-N	247.722	1.068	50	50	BDGA	
Cc1ccc(C[C@@H]2C(=O)OC(=O)[C@H]2C)cc1	100405854	MEDNFLOADJSQQZ-ONGXEEELSA-N	218.252	1.873	50	50	BDGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H]1C=O	169837436	ZZEAXSVHLYHJBB-BDAKNGLRSA-N	216.353	1.975	50	50	BDGA	
CCCCOc1ccc(Cl)cc1B(O)O	169844697	GGIBHUXEZCJVCZ-UHFFFAOYSA-N	228.484	1.199	50	50	BDGA	
NNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1	9175944	CSHLSZFCPXYIAM-UHFFFAOYSA-N	236.662	1.334	50	50	BDGA	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)CCl	238852864	HMBFDDSLYMRBIX-HRDYMLBCSA-N	246.738	1.876	50	50	BDGA	
CC(C)OC(=O)N(N)CC(F)(F)F	757126977	JCUFOZXUQQYPET-UHFFFAOYSA-N	200.160	1.269	50	50	BDGA	
COC(=O)/C(C#N)=C/c1ccc(C#N)o1	2546537	KOPGFKVSVKQBBN-QPJJXVBHSA-N	202.169	1.231	50	50	BDGA	
N#CC(N)=C(C#N)N=Cc1cccc(Cl)c1	2040565487	BKMDREINDHMFQI-UHFFFAOYSA-N	230.658	1.976	50	50	BDGA	
O=S(=O)(c1ccccc1)[N@]1C[C@H]1CCl	1857525295	SQTMFYHGMHORHJ-LDYMZIIASA-N	231.704	1.298	50	50	BDGA	
O=C(CCl)NCCOc1ccccc1	3184360	KHBCOAPBKVRSFB-UHFFFAOYSA-N	213.664	1.420	50	50	BDGA	in-vitro
CCN(CC)C(=O)[C@H](C)Br	1591771	VPSKMQYCSCPAGT-LURJTMIESA-N	208.099	1.638	50	50	BDGA	
O=C[C@H](Br)CBr	1866951	ZMDDOWQHSDJXDW-GSVOUGTGSA-N	215.872	1.344	50	50	BDGA	
CCN(CC)C(=O)N(N)c1ccccn1	757129498	WZRJZRXETBIWHW-UHFFFAOYSA-N	208.265	1.224	50	50	BDGA	
COc1cccc([C@H](C)NC(=O)[C@H](F)Cl)n1	2325898634	OWBURGHVYZYNFY-RCOVLWMOSA-N	246.669	1.802	50	50	BDGA	
CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1	209019	ZFIHPZVNAYJSJS-ZETCQYMHSA-N	234.280	1.981	50	50	BDGA	
CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1	209022	ZFIHPZVNAYJSJS-SSDOTTSWSA-N	234.280	1.981	50	50	BDGA	
IC1CCNCC1	72194509	FGQSHUZAYIVLMB-UHFFFAOYSA-N	211.046	1.173	50	50	BDGA	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NN	369784	BZNCKHGNOQBBRO-VIFPVBQESA-N	236.315	1.741	50	50	BDGA	in-vitro
CCNC(=S)NNC(=O)c1csc(C)c1	8684235	WVVILBVHZVMRIX-UHFFFAOYSA-N	243.357	1.185	50	50	BDGA	
CN(C)NC(=O)Nc1ccccc1Cl	2147510	GZIBGFOVMWPLKI-UHFFFAOYSA-N	213.668	1.938	50	50	BDGA	
BrCCCCC1OCCO1	2576960	UQTZEBQZCBQLAN-UHFFFAOYSA-N	209.083	1.925	50	50	BDGA	in-vitro
C[C@H]1C(N)=C(C#N)CN1Cc1ccccc1	34462278	POZVNJGZSIULOM-JTQLQIEISA-N	213.284	1.627	50	50	BDGA	
O=C(CCl)N1CCC[C@@H](CCO)CC1	1347089580	DAUYPAWRWUFUOY-SECBINFHSA-N	219.712	1.236	50	50	BDGA	
C[C@H](Oc1ccccc1Cl)C(=O)NN	370112	JDYLDTKUYDWSFQ-LURJTMIESA-N	214.652	1.097	50	50	BDGA	in-vitro
CCO[C@@H]1C[C@H](NC(=O)CCl)[C@]12CCCO2	1875377866	PNZVBFZHLNMYBG-IQJOONFLSA-N	247.722	1.068	50	50	BDGA	
C#CCn1cc(CN(C)C(=O)[C@@H](F)Cl)cn1	2325898145	VDQPTQPPZZRQQO-SECBINFHSA-N	243.669	1.009	50	50	BDGA	
CC[C@H](Nc1ccc(C)cc1)C(=O)NN	34925099	HRNYWLLXJWIQFW-JTQLQIEISA-N	207.277	1.175	50	50	BDGA	
O=C(CCl)N[C@@H](O)C(Cl)(Cl)Cl	1672783	YDCXJAACEIUSDW-VKHMYHEASA-N	240.901	1.030	50	50	BDGA	
Cc1ccccc1C(=O)NN=C1CCN(C)CC1	55071982	VORIQMJQJSZOFE-UHFFFAOYSA-N	245.326	1.806	50	50	BDGA	
COC(=O)[C@@H]1CCC[C@H](C(=O)CCl)C1	2325904044	JXVYVJCDUKNEAD-JGVFFNPUSA-N	218.680	1.774	50	50	BDGA	
COC[C@@H](NC(=O)[C@H](C)Cl)c1ccccn1	1875369902	PEJLBCRLBNBJNA-WCBMZHEXSA-N	242.706	1.513	50	50	BDGA	
C/C(Nc1ccc(C)cc1)=C(/C#N)C(N)=O	296680	KMZDNPPPFLGOOH-PKNBQFBNSA-N	215.256	1.690	50	50	BDGA	
Cc1cc(Cl)ccc1OCCCC(=O)NN	2379804	SOMMQLJPDBEQBY-UHFFFAOYSA-N	242.706	1.797	50	50	BDGA	
NC(=O)NNC(=O)Nc1cccc(Cl)c1	1227347	SZTQVLAVSIBUOY-UHFFFAOYSA-N	228.639	1.045	50	50	BDGA	
COC[C@@H](Br)C(F)(F)F	2525248	FYSQBSZARDNGLE-GSVOUGTGSA-N	206.989	1.959	50	50	BDGA	biogenic,in-vitro
COCc1cc(CNC(=O)CCl)ccc1F	1319786045	VBHRCHDITRAVNX-UHFFFAOYSA-N	245.681	1.827	50	50	BDGA	
Cn1cccc1CC(=O)N/N=C/c1cccs1	5019721	FCBDYYLPQOSFNU-UKTHLTGXSA-N	247.323	1.779	50	50	BDGA	
COc1cc(NC(=O)CCl)cc(OC)c1	3093786	OAFXUKHPQCSRPT-UHFFFAOYSA-N	229.663	1.881	50	50	BDGA	in-vitro
COC(=O)C(C#N)=C(SC)SC	132048	SJDBEROAEMAOJW-UHFFFAOYSA-N	203.288	1.621	50	50	BDGA	in-vitro
O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCl	526056059	LUNIXCSYHRDQTM-DTORHVGOSA-N	229.707	1.791	50	50	BDGA	
O=C(O)/C(Cl)=C(\Cl)[C@@H](Cl)C(=O)O	3074804	GWHJVKZMKRRHME-TXTHVXSISA-N	233.434	1.452	50	50	BDGA	
CC(=O)Oc1cccc(NC(=O)CCl)c1	12364657	MPNPBTPAHBPBOE-UHFFFAOYSA-N	227.647	1.789	50	50	BDGA	
C[C@@](Cl)(CCl)C(=O)N1CCOCC1	71774033	NCOMQANEIHPVBR-MRVPVSSYSA-N	226.103	1.082	50	50	BDGA	
O=C(CCCCl)Nc1ncc(C(=O)O)s1	725256411	KPUXEEYRWZVCSG-UHFFFAOYSA-N	248.691	1.799	50	50	BDGA	
COc1ccc(/C=N/NC(=O)c2ccn[nH]2)cc1	536183	MJYCQLAOTRHYGY-RIYZIHGNSA-N	244.254	1.182	50	50	BDGA	
CC[C@@H](Br)C(=O)NC(C)C	32919895	XWTJTUDIWUHGOF-ZCFIWIBFSA-N	208.099	1.685	50	50	BDGA	in-vitro
O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C(C5CC5)[C@H]43)[C@@H]12	104188393	CFDWKHCYBDTMRV-BXBGQAARSA-N	242.274	1.700	50	50	BDGA	
C[C@H]1CCC[C@@H]1N(CCO)C(=O)CCl	1875381180	MOTVDJPRCMMPEU-IUCAKERBSA-N	219.712	1.235	50	50	BDGA	
Cc1ccccc1OCC(=O)NNC(C)C	35653694	PHHPJCFCMHMBMO-UHFFFAOYSA-N	222.288	1.403	50	50	BDGA	
CN(Cc1noc(C2CC2)n1)C(=O)CCl	1330545056	ZILRNQJBQZPJRF-UHFFFAOYSA-N	229.667	1.144	50	50	BDGA	
Cc1nc(/C=C(/C#N)C(=O)NC(C)C)[nH]c1C	585135815	DDGGTTWELZESIU-YHYXMXQVSA-N	232.287	1.458	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCOC[C@]1(C)C1CC1	725694642	MWFIFWFYNZNFEM-GZMMTYOYSA-N	231.723	1.641	50	50	BDGA	
O=C(CCl)Nc1nnc(C(F)(F)F)s1	3016635	IRJUPVZWCCPWBT-UHFFFAOYSA-N	245.613	1.734	50	50	BDGA	
O=C1Cc2cc(C(=O)CCl)ccc2N1	2527713	WXJWBEAGVWVEDM-UHFFFAOYSA-N	209.632	1.603	50	50	BDGA	
CS/C(N)=C(C#N)/C(C#N)=C(\N)SC	100031765	LBQNBMSPTURKGS-KQQUZDAGSA-N	226.330	1.100	50	50	BDGA	in-vitro
N#Cc1ccsc1N1CC[C@@H](Cl)C1=O	1875338050	MPTPNQQVVAMSDI-SSDOTTSWSA-N	226.688	1.964	50	50	BDGA	
CO[Si](CCC(C)(C)CN)(OC)OC	196823041	KIJDMKUPUUYDLN-UHFFFAOYSA-N	221.373	1.240	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCO[C@@](C)(C(F)F)C1	698783572	VWOXWSZEQCGPSK-HZGVNTEJSA-N	241.665	1.496	50	50	BDGA	
N#CC(N)=C(C#N)N=Cc1ccccc1[N+](=O)[O-]	2053527686	GWSCSOMMIYMXOK-UHFFFAOYSA-N	241.210	1.231	50	50	BDGA	
O=C=NS(=O)(=O)c1ccc(Cl)cc1	2539287	JGHDVROWMPBQSR-UHFFFAOYSA-N	217.633	1.365	50	50	BDGA	
Cc1cccc(C(=O)NN=C2CCN(C)CC2)c1	55007638	YOQZPYMGQQJHHU-UHFFFAOYSA-N	245.326	1.806	50	50	BDGA	
CC(C)[C@H](N)C(=O)NNc1ccccc1	145215073	XDOUPXRAFVJWDB-JTQLQIEISA-N	207.277	1.113	50	50	BDGA	
OB(O)c1c2ccccc2cc2ccccc12	169743503	VHHDLIWHHXBLBK-UHFFFAOYSA-N	222.052	1.673	50	50	BDGA	in-vitro
Cc1nn2cccnc2c1NC(=O)[C@H](F)Cl	2325897958	NXOUJSPVAYTRJR-ZETCQYMHSA-N	242.641	1.511	50	50	BDGA	
CCNC(=O)C1(CNC(=O)[C@@H](C)Cl)CCC1	1875378034	UNVGCHHOTLPURD-MRVPVSSYSA-N	246.738	1.036	50	50	BDGA	
O=S(Br)Br	245189254	HFRXJVQOXRXOPP-UHFFFAOYSA-N	207.874	1.355	50	50	BDGA	
CC(C)(C)OC(=O)N[C@@H]1C=C(B(O)O)CCC1	675082148	FXVGRBYYBFYIRV-VIFPVBQESA-N	241.096	1.002	50	50	BDGA	
Cc1ccccc1CSCC(=O)NN	6789589	WBWGSMFRNVBJPU-UHFFFAOYSA-N	210.302	1.218	50	50	BDGA	
Cc1ccn2ncc(NC(=O)[C@H](F)Cl)c2n1	2325898158	VOSSZFNGPXPUAI-ZETCQYMHSA-N	242.641	1.511	50	50	BDGA	
O=C(N/N=C/c1cccnc1)c1ccccc1O	259628	MJUFMNKLYSRONJ-OQLLNIDSSA-N	241.250	1.551	50	50	BDGA	
CCNNC(=O)COc1ccc(C(C)C)cc1	6401376	OXYVXNDFMLOWDM-UHFFFAOYSA-N	236.315	1.830	50	50	BDGA	
CCOC(=O)C1CC(Br)C1	260473550	QMVKGRUSDZOUNA-UHFFFAOYSA-N	207.067	1.723	50	50	BDGA	
Cc1ccc(-c2cc(C(=O)NN)[nH]n2)s1	5641818	KULYKYOZMSTMAF-UHFFFAOYSA-N	222.273	1.050	50	50	BDGA	
CC(=O)NNC(=O)Nc1cccc(Cl)c1	2143140	ZLROJCVFLQMOEV-UHFFFAOYSA-N	227.651	1.513	50	50	BDGA	
CCOC(=O)CCN(CCl)C(=O)OC	3105869	HVAAIDKRSBVUIF-UHFFFAOYSA-N	223.656	1.204	50	50	BDGA	
O=S(=O)(CCl)[C@H]1CCCC/C1=N/O	43761463	BMFPYPWVDMCQIO-AXDULGOBSA-N	225.697	1.370	50	50	BDGA	
O=C(N/N=C/c1cc(O)ccc1O)c1ccco1	301302	HYGIKZNCSLYVHN-NTUHNPAUSA-N	246.222	1.455	50	50	BDGA	
Cc1cccn2c(=O)cc(CCl)nc12	3338680	WNZINXRNSWULSZ-UHFFFAOYSA-N	208.648	1.742	50	50	BDGA	in-vitro
CN(C)NC(=O)[C@@H]1CC[C@@](C)(C(=O)O)C1(C)C	4832845	GEHRKPJONVTCMU-UFBFGSQYSA-N	242.319	1.106	50	50	BDGA	
Cc1nn(CCCl)c(Cl)c1C=O	1775956146	VPPZFWBOYIVRJD-UHFFFAOYSA-N	207.060	1.896	50	50	BDGA	
N#CC1=C(N)SC(N)=C(C#N)C1c1ccco1	19204397	CKVCOHNMMGJPQE-UHFFFAOYSA-N	244.279	1.498	50	50	BDGA	
COc1c(Cl)cc(C(=O)NN)cc1Cl	113481	AILWISDLOFOZHA-UHFFFAOYSA-N	235.070	1.606	50	50	BDGA	
COc1cc(C=C(C#N)C#N)cc2c1OCO2	291600	MSSIGYGWOOWKCX-UHFFFAOYSA-N	228.207	1.854	50	50	BDGA	
O=C1COc2ccc(C(=O)CCl)cc2N1	3882623	MIAHXWVABDHISZ-UHFFFAOYSA-N	225.631	1.439	50	50	BDGA	in-vitro
CCOC(=O)/C(C#N)=C/Nc1cccc(O)c1	14796406	FYRYZOWIBDUVTF-CMDGGOBGSA-N	232.239	1.775	50	50	BDGA	
CC(=O)O[C@H](CN=C=S)N=C=S	3121646	ZAEAKDFYKQLQHV-ZCFIWIBFSA-N	202.260	1.081	50	50	BDGA	
CN(C)C(=O)C1(CBr)CC1	261508311	RGPVXDBZOHXFGZ-UHFFFAOYSA-N	206.083	1.250	50	50	BDGA	
COC(=O)/C(C#N)=C\c1[nH]cc(C)c1C	4831050	LQJYZFQAQTXZEZ-WTKPLQERSA-N	204.229	1.712	50	50	BDGA	
CC[C@H](Nc1cccc(C)c1)C(=O)NN	66324339	POOICFPNCNQPSZ-JTQLQIEISA-N	207.277	1.175	50	50	BDGA	
CCCOC(=O)N(N)CC(F)(F)F	757127537	LEZZRJHPJKUSKM-UHFFFAOYSA-N	200.160	1.271	50	50	BDGA	
COc1ccccc1[P@](=O)(O)c1ccccc1	2166029	CHZYDULLAKJWNO-UHFFFAOYSA-N	248.218	1.916	50	50	BDGA	
O=C(NNC(=O)C1CC1)c1ccc(Cl)cc1	3327599	HGERITYUULSCDP-UHFFFAOYSA-N	238.674	1.511	50	50	BDGA	
O=C(Cl)[C@H]1CC(=O)N(Cc2ccccc2)C1	33434535	XMTRVDUUKLHFMW-JTQLQIEISA-N	237.686	1.801	50	50	BDGA	
CCCCOc1cccc(C(=O)NN)c1	4242163	SOQGXZOQSDOMSR-UHFFFAOYSA-N	208.261	1.469	50	50	BDGA	in-vitro
O=C(CCl)N(CC1(O)CCC1)C1CC1	1875378182	WTWQPXRXEQFVKY-UHFFFAOYSA-N	217.696	1.131	50	50	BDGA	
NNC(=O)c1cccnc1Oc1ccccc1	150725	LZIVTMKZXYGBTB-UHFFFAOYSA-N	229.239	1.477	50	50	BDGA	
N#C/C(=C\c1ccc(O)c(O)c1)C(N)=S	3871430	ZGHQGWOETPXKLY-XVNBXDOJSA-N	220.253	1.291	50	50	BDGA	in-vivo
C[C@@]1(CCl)C[N@@]1S(=O)(=O)c1ccccc1	1857524779	RUAPLDLQHBIJCW-ZYHUDNBSSA-N	245.731	1.688	50	50	BDGA	
BrCCNCCBr	1698500	GVLQQPDTOWRBRC-UHFFFAOYSA-N	230.931	1.366	50	50	BDGA	in-vitro
COC(=O)[C@@H](Cl)Cc1cccc([N+](=O)[O-])c1	2160360	FEMKPUUVUBPUKD-VIFPVBQESA-N	243.646	1.918	50	50	BDGA	
O=C(CBr)c1ccc(O)cc1O	2511024	RAULLGKGLGXMOM-UHFFFAOYSA-N	231.045	1.675	50	50	BDGA	
Cc1cc(OC(C)C)nc2ccc(B(O)O)cc12	170001933	MCEFPTNSWUDBRV-UHFFFAOYSA-N	245.087	1.010	50	50	BDGA	
Cn1ccnc1C(=O)NNc1ccccc1	1401585	QVVLBCYEQQKZDO-UHFFFAOYSA-N	216.244	1.177	50	50	BDGA	
Cc1cc(C)cc(-c2ccc(B(O)O)cc2)c1	310255388	XXKUIEBXAIQMGG-UHFFFAOYSA-N	226.084	1.650	50	50	BDGA	
O=CNNc1ncnc2sc3c(c12)CCCC3	2026289	WRHVCGDJDCEZPM-UHFFFAOYSA-N	248.311	1.643	50	50	BDGA	
O=S(=O)(C(Cl)Cl)C(Cl)Cl	95753978	KTIDLZJZARSLET-UHFFFAOYSA-N	231.915	1.924	50	50	BDGA	
O=C(CCl)N[C@H](C1CC1)[C@@H]1CCCOC1	723750021	ASCYPIGNZBHREP-MWLCHTKSSA-N	231.723	1.547	50	50	BDGA	
Cc1noc(C)c1[C@H](C)CNC(=O)CCl	1875377190	APGBGIHYSXXGHE-ZCFIWIBFSA-N	230.695	1.750	50	50	BDGA	
O=C(N/N=C/c1ccccn1)c1ccco1	42543	NKMKAANOLLHWLB-MDWZMJQESA-N	215.212	1.439	50	50	BDGA	
COc1cncc(N(C)C(=O)[C@@H](C)Cl)c1	1875367617	WAWLBRAUHYTGSN-SSDOTTSWSA-N	228.679	1.680	50	50	BDGA	
O=C(Cl)OCCOCCOC(=O)Cl	1640852	XFSAZBKSWGOXRH-UHFFFAOYSA-N	231.031	1.754	50	50	BDGA	
O=S(=O)(c1ccccc1)[N@@]1C[C@@H]1CCl	1857525294	SQTMFYHGMHORHJ-KWQFWETISA-N	231.704	1.298	50	50	BDGA	
Cc1ncc2c(n1)CCN(C(=O)[C@H](C)Cl)C2	1875364874	WUXWMAJDKFGGBV-ZETCQYMHSA-N	239.706	1.297	50	50	BDGA	
CC(C)(C)OC(=O)N1CCC[C@](O)(C#N)C1	100132940	ZVWLCTCSBSNDIR-NSHDSACASA-N	226.276	1.272	50	50	BDGA	in-vitro
C=C(OCCC[Si](OC)(OC)OC)C(C)=O	169989026	KDFDKCQXINXEPV-UHFFFAOYSA-N	248.351	1.374	50	50	BDGA	
CCO[C@@H]1C[C@@H](NC(=O)CCl)[C@@]12CCCO2	1875377867	PNZVBFZHLNMYBG-KKZNHRDASA-N	247.722	1.068	50	50	BDGA	
O=S(=O)(O)[C@H](Cl)c1ccccc1	1711458	UAKMCBRMMSMYLT-ZETCQYMHSA-N	206.650	1.812	50	50	BDGA	
C[C@H]1CCc2c(C(=O)NN)csc2C1	2559449	NDSFGXQXVKIDJL-LURJTMIESA-N	210.302	1.476	50	50	BDGA	in-vitro
O=C(Cc1ccccc1)N/N=C/c1cccnc1	41342	SMUOPVMIAAVILN-LFIBNONCSA-N	239.278	1.774	50	50	BDGA	
C[C@H](Oc1c(Cl)cccc1Cl)C(=O)NN	6763114	CIGYKZDNSRTXJJ-YFKPBYRVSA-N	249.097	1.751	50	50	BDGA	
O=c1cc(CCl)nc(-c2cccnc2)[nH]1	45956713	KCHORMXVZKHPOX-UHFFFAOYSA-N	221.647	1.571	50	50	BDGA	
CC1(C)OB(c2ccc(N=C=O)cc2)OC1(C)C	169747230	RHKRIDVZGAXYQE-UHFFFAOYSA-N	245.087	1.953	50	50	BDGA	in-vitro
N#CSCC(=O)c1ccc(C(N)=O)s1	238619021	COVORBJDBXACGT-UHFFFAOYSA-N	226.282	1.244	50	50	BDGA	
CC(C)OC(=O)/C(C#N)=C\c1ccc(O)nc1	585136126	RNFQLOINCSPNIB-YHYXMXQVSA-N	232.239	1.646	50	50	BDGA	
COc1ccccc1CNC(=O)CCl	3094204	QUPFOFYYZHSFDJ-UHFFFAOYSA-N	213.664	1.550	50	50	BDGA	in-vitro
O=C1c2ccc(F)cc2C(=O)N1CCCl	12647650	KYATUXRRFOJLJB-UHFFFAOYSA-N	227.622	1.661	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)c1ccc2[nH]c(=O)[nH]c2c1	11770370	WDHVJNJBNCUHOK-YFKPBYRVSA-N	224.647	1.666	50	50	BDGA	
O=C(Cc1cccs1)N/N=C/c1cccnc1	72595	VUKYGDRLJVROJN-NTEUORMPSA-N	245.307	1.836	50	50	BDGA	
COC(=O)N/N=C(\C)c1cccc(O)c1	5282497	VYEXCNVXKXWQID-YRNVUSSQSA-N	208.217	1.472	50	50	BDGA	
C[C@@H](Cl)C(=O)Nc1ccc(C(=O)O)cc1	12016246	XBNHIMDSBBJEJN-ZCFIWIBFSA-N	227.647	1.951	50	50	BDGA	
CCOC(=O)C1CCN(C(=O)CCCl)CC1	5709364	RQAVOJRSNJZSIB-UHFFFAOYSA-N	247.722	1.417	50	50	BDGA	
CCO[Si](CN(CC)CC)(OCC)OCC	169748379	UMXXGDJOCQSQBV-UHFFFAOYSA-N	249.427	1.916	50	50	BDGA	
NNC(=O)c1cccc(OCc2ccccc2)c1	2574302	JKJQCSNZIBXALH-UHFFFAOYSA-N	242.278	1.869	50	50	BDGA	in-vitro
O=C(CCl)Nc1ccc([N+](=O)[O-])cn1	5394907	RXKHVEPBKYJCOQ-UHFFFAOYSA-N	215.596	1.167	50	50	BDGA	
COc1cc(/C=C(\C#N)C(N)=S)ccc1O	457362	QUNKDXWFLCLTPE-XBXARRHUSA-N	234.280	1.594	50	50	BDGA	
COc1ccc(C(=O)CCl)c(O)c1	5916326	BTWDXOZPMSQGQE-UHFFFAOYSA-N	200.621	1.822	50	50	BDGA	
COC[C@@]1(NC(=O)[C@H](C)Cl)CC=CCC1	1875369031	NQVJPNCLSJMQQM-GXSJLCMTSA-N	231.723	1.855	50	50	BDGA	
Cn1ncc(C2CC2)c1CNC(=O)CCl	1875367778	MDDQOMWZNJESSI-UHFFFAOYSA-N	227.695	1.153	50	50	BDGA	
C[C@@H](Nc1ccc(Cl)cc1)C(=O)NN	499530	KDGOMNYOAFIEOI-ZCFIWIBFSA-N	213.668	1.130	50	50	BDGA	
O=C1OC(=O)[C@@]23C=CC=C[C@]12CCCC3	101045974	OGQUHSCYTJIKFK-RYUDHWBXSA-N	204.225	1.743	50	50	BDGA	
C[C@H](Br)[C@@H](Br)C(=O)O	1693332	HESQKTULJLBDRF-STHAYSLISA-N	245.898	1.618	50	50	BDGA	biogenic
Cc1occc1C(=O)N/N=C\c1cnn(C)c1C	4650870	HGEMHQLEZQWHRL-MLPAPPSSSA-N	246.270	1.394	50	50	BDGA	
OB(O)c1cccc2cccc(Cl)c12	238627085	LAKQJVVXANSQKZ-UHFFFAOYSA-N	206.437	1.173	50	50	BDGA	
C[C@@H](Cl)C(=O)NC(C)(C)C(=O)N1CCCC1	1875366963	NHWXNBMNBHRKBA-MRVPVSSYSA-N	246.738	1.131	50	50	BDGA	
C[C@@H](Oc1cccc2ccccc12)C(=O)NN	265149	MJHKQUIMTCUMQV-SECBINFHSA-N	230.267	1.597	50	50	BDGA	
N#CC1=C(N)N(c2ccc(Cl)cc2)C(=O)C1	2863347	SKDFEZVCPXFKTC-UHFFFAOYSA-N	233.658	1.771	50	50	BDGA	
N#Cc1ccccc1NC(=O)CBr	6335828	NSEJRXVQAYTDSX-UHFFFAOYSA-N	239.072	1.892	50	50	BDGA	
C[C@@H]1[C@H](c2ccccc2)NCC[C@]1(O)C#N	102596575	XGKYKJBSKOHGSD-RTXFEEFZSA-N	216.284	1.612	50	50	BDGA	
C=CC(=O)OCCC[Si](C)(C)OC	195919070	ZCRUJAKCJLCJCP-UHFFFAOYSA-N	202.326	1.957	50	50	BDGA	in-vitro
O=C(NCc1snnc1C1CC1)[C@H](F)Cl	2325901731	VVZOTGKOSHKQAJ-ZETCQYMHSA-N	249.698	1.566	50	50	BDGA	
O=C(CCl)N1CCOC2(CCC2)CC1	1875367603	UKLDKDFHMWDUMA-UHFFFAOYSA-N	217.696	1.397	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1ncon1	1875363522	HEIOAZZUEOCXMU-HTQZYQBOSA-N	243.694	1.751	50	50	BDGA	
C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C	169746832	KRUQDZRWZXUUAD-UHFFFAOYSA-N	242.445	1.934	50	50	BDGA	in-vitro
COC(=O)N/N=C/c1cnc2ccccc2n1	5997129	SOEMFPLGOUBPJQ-NTUHNPAUSA-N	230.227	1.320	50	50	BDGA	in-vitro
O=C(CCl)N1CC=CCC2(CCOCC2)C1	1875370542	SPANXUXPLBJENU-UHFFFAOYSA-N	243.734	1.811	50	50	BDGA	
O=C(CC(F)(F)F)OC(=O)CC(F)(F)F	100159191	KCZHDRHOSNPTJZ-UHFFFAOYSA-N	238.083	1.961	50	50	BDGA	
Cc1cc(C)n(CCBr)n1	19414290	XWAXCXHXDOAJKW-UHFFFAOYSA-N	203.083	1.895	50	50	BDGA	in-vitro
CCCC(=O)NNC(=O)C1CCCCC1	5857616	VITUVJMERLWJSD-UHFFFAOYSA-N	212.293	1.514	50	50	BDGA	
O=C(Cl)C(F)(F)C(F)(F)C(=O)Cl	95676966	XCSFZFHJQXODPO-UHFFFAOYSA-N	226.940	1.788	50	50	BDGA	in-vitro
OB(O)c1ccc(-c2nc3ccccc3o2)cc1	202294380	PTTJBNMNZAUITF-UHFFFAOYSA-N	239.039	1.175	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	1875366802	CBBSDGBZTCQPTG-PRHODGIISA-N	248.713	1.769	50	50	BDGA	
CC[C@H](Nc1ccc(C)cc1C)C(=O)NN	66324368	MJGIBSGZCMUKGU-JTQLQIEISA-N	221.304	1.484	50	50	BDGA	
CCOC(=O)N1CCC[C@@H]1C(=O)Cl	149403713	QTIHPNVUSJGZPM-ZCFIWIBFSA-N	205.641	1.373	50	50	BDGA	
CC[C@]1(c2ccccc2)CC(=O)OC1=O	59093715	YUNNVZMZILEIKY-GFCCVEGCSA-N	204.225	1.808	50	50	BDGA	
COc1ccc(/C=C(/C#N)C(N)=O)c(OC)c1	12366683	WPPQGZFEWZSGOX-UITAMQMPSA-N	232.239	1.096	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)NCC1(CO)CC2(CCC2)C1	1875377904	QUHCHSPSOPYQCY-SECBINFHSA-N	245.750	1.673	50	50	BDGA	
OB(O)c1ccc(Cl)c(Cl)c1Cl	169747898	MXFWEDVDGXOVRT-UHFFFAOYSA-N	225.267	1.327	50	50	BDGA	in-vitro
COc1ccc(CCNC(=O)CCl)cc1	3289366	WSVXORGAOVUQRT-UHFFFAOYSA-N	227.691	1.593	50	50	BDGA	in-vitro
CC(C)COc1cccc(C(=O)NN)c1	2576191	QBMFDOXZJFUFHR-UHFFFAOYSA-N	208.261	1.325	50	50	BDGA	
CCOc1ccc2[nH]c(C(=O)NN)cc2c1	8325052	ONOLNCQRLCOPCC-UHFFFAOYSA-N	219.244	1.170	50	50	BDGA	
CN(C(=O)[C@@H](F)Cl)c1nn(C)cc1Cl	2325898446	CPRQFLCMEGXCNB-RXMQYKEDSA-N	240.065	1.571	50	50	BDGA	
COC(=O)c1c(O)cccc1C=C(C#N)C#N	407447	PLMXXDYMIZJLLT-UHFFFAOYSA-N	228.207	1.609	50	50	BDGA	
O=C(NNC(=O)c1ccccc1)c1ccccc1	6568023	GRRIYLZJLGTQJX-UHFFFAOYSA-N	240.262	1.761	50	50	BDGA	in-vitro
CC(=O)OC[C@@H](Br)C(F)(F)F	39957485	SOLYBTULJSCJLK-SCSAIBSYSA-N	234.999	1.875	50	50	BDGA	
Cc1ccc(CN(CCO)C(=O)CCl)cc1	203276168	FUQHLVVRGUZEGQ-UHFFFAOYSA-N	241.718	1.555	50	50	BDGA	
COC(=O)/C(C#N)=C\c1ccccc1F	4660673	HCWKJLDXLZPUNT-TWGQIWQCSA-N	205.188	1.906	50	50	BDGA	
Cc1ccc(CSCC(=O)NN)cc1	6788252	QVSRDVKHQOUCJR-UHFFFAOYSA-N	210.302	1.218	50	50	BDGA	
CCC1(CNC(=O)[C@@H](C)Cl)COC1	393968641	IUDQYTLKFTZJIL-SSDOTTSWSA-N	205.685	1.157	50	50	BDGA	
Cn1cccc1C(=O)CBr	37115329	DZWFDZMYEJQIIQ-UHFFFAOYSA-N	202.051	1.603	50	50	BDGA	
COC(=O)c1ccnc(CBr)c1	49581954	ALWLEXLYSKDDCE-UHFFFAOYSA-N	230.061	1.763	50	50	BDGA	
COC(=O)c1cnc(CBr)cn1	72187457	OIGRHUBIDWZLHR-UHFFFAOYSA-N	231.049	1.158	50	50	BDGA	in-vitro
C/C(=N\NC(=O)c1cc(C)n[nH]1)c1cccs1	13113677	HWUGSOASARVEJH-MDWZMJQESA-N	248.311	1.934	50	50	BDGA	
CCN(C(=O)CBr)C1CC1	82506293	JFQOMGDQRTYUNC-UHFFFAOYSA-N	206.083	1.392	50	50	BDGA	in-vitro
CC(=O)c1ccc(-c2ccc(B(O)O)cc2)cc1	169746330	KLFRIBXIZZFOBU-UHFFFAOYSA-N	240.067	1.236	50	50	BDGA	in-vitro
N#CC(NC(=O)c1cccnc1)=C(Cl)Cl	585152239	FOIYSGZPYCWBKH-UHFFFAOYSA-N	242.065	1.982	50	50	BDGA	
Cc1cc(C(=O)N/N=C/c2ccccc2O)[nH]n1	229165	CESBSEAURWKLQQ-NTUHNPAUSA-N	244.254	1.188	50	50	BDGA	
C[C@@](Br)(CBr)C(=O)O	3074794	UYCLMYDTNVHCAN-SCSAIBSYSA-N	245.898	1.620	50	50	BDGA	in-vitro
ClCCN1C2=NCCN2c2ccccc21	5785769	MECMULASHUOUIV-UHFFFAOYSA-N	221.691	1.921	50	50	BDGA	
C[C@@H]1[C@@H](NC(=O)CCl)CC[C@@H](CO)C1(C)C	1875376884	LWLUERZXEHOCLO-UTLUCORTSA-N	247.766	1.775	50	50	BDGA	
CC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1657270	CDMLJWCAUSWULM-UHFFFAOYSA-N	226.144	1.428	50	50	BDGA	
O=C(CBr)Nc1nccs1	1735091	AACUYXPCLUSFMI-UHFFFAOYSA-N	221.079	1.477	50	50	BDGA	in-vitro
Cc1n[nH]c2c1[C@H](c1ccco1)C(C#N)=C(N)O2	4730106	UHARQVNAUNOBNF-JTQLQIEISA-N	242.238	1.529	50	50	BDGA	
CC1=C[C@@H]2[C@H]3C=C[C@H]([C@H]4C(=O)OC(=O)[C@H]43)[C@H]12	254403553	SHNKPHYZJIVILY-QFLRJNDWSA-N	216.236	1.310	50	50	BDGA	
O=C1c2ccccc2C(=O)[C@@H](O)[C@@H]1Cl	100705989	DOGINPBVOYYUHF-XCBNKYQSSA-N	210.616	1.034	50	50	BDGA	
COC(=O)[C@H](CCSC)N=C=S	4206954	HNBACGFGPNFPAF-LURJTMIESA-N	205.304	1.384	50	50	BDGA	in-vitro
O=C(O)Cc1ccc(C(=O)CCl)s1	161217	ZNLXEDDUXFMEML-UHFFFAOYSA-N	218.661	1.797	50	50	BDGA	
N#CC1=C(S)NC(=O)[C@@H](C#N)C12CCCC2	6620358	HCROBLAOUOYRDA-SSDOTTSWSA-N	233.296	1.481	50	50	BDGA	
O=C(CCl)N1CCC[C@@]2(C1)OC[C@@H]1C[C@@H]12	1875368695	LFKKYLAXKIIRSV-QXEWZRGKSA-N	229.707	1.253	50	50	BDGA	
COC(=O)/C(C#N)=C1\C(=O)Nc2ccccc21	12368710	JGRPHENITJTVGB-NTMALXAHSA-N	228.207	1.089	50	50	BDGA	
O=C(CCl)N1CCC[C@]2(C=CCO2)CC1	1875369839	LVEIKNSBLIQFQN-NSHDSACASA-N	229.707	1.563	50	50	BDGA	
O=C(N/N=C/c1cccnc1)c1cccnc1	28611	UPHZOSQZSJURSS-OVCLIPMQSA-N	226.239	1.241	50	50	BDGA	
COc1ccc(OC)c(/C=C(\C#N)C(N)=O)c1	160923	WQEIGMGVBKSQGL-WEVVVXLNSA-N	232.239	1.096	50	50	BDGA	
O=C(O)[C@H](Br)CBr	1555335	ZMYAKSMZTVWUJB-UWTATZPHSA-N	231.871	1.229	50	50	BDGA	in-vitro
CCCCCOc1cc(Cl)ccc1B(O)O	169955197	FUZPLNFBZCLUBA-UHFFFAOYSA-N	242.511	1.589	50	50	BDGA	
N#CC1=CCC[C@@H](OC(=O)C[C@H]2COC(=O)C2)C1	888099759	WPCVUJLRFCOQSN-WDEREUQCSA-N	249.266	1.485	50	50	BDGA	
O=S1(=O)[C@H]2CCCC[C@H]1[C@@H](Cl)[C@H]2Cl	230114755	XCLTYUCRBZFSLL-DKXJUACHSA-N	243.155	1.941	50	50	BDGA	
O=C(CCl)O[C@H]1C[C@H]2C=C[C@H]1CCC2=O	257359211	ZALHJLCDZZJUQY-XKSSXDPKSA-N	228.675	1.692	50	50	BDGA	
O=C1C=C(OCCBr)CC1	165808401	BLIBWVRJYLJSHH-UHFFFAOYSA-N	205.051	1.645	50	50	BDGA	
CCOc1c(Cl)cc(B(O)O)cc1Cl	169747881	IZNJKZLGWKWHGT-UHFFFAOYSA-N	234.875	1.072	50	50	BDGA	in-vitro
O=C(O)[C@@H](Br)CBr	2034493	ZMYAKSMZTVWUJB-REOHCLBHSA-N	231.871	1.229	50	50	BDGA	in-vitro
Cc1nc(C)c(/C=C(\C#N)C(=O)NC(C)C)o1	821031332	JEWUFJQDMTVVMK-BJMVGYQFSA-N	233.271	1.723	50	50	BDGA	
CC1(C)[C@H]2CCC/C(=N\NC(N)=O)[C@H]1C2	102318893	CCBIPOQAEMMFRA-FAQBKWHKSA-N	209.293	1.857	50	50	BDGA	
CCOC(=O)NC(=O)/C(C#N)=C(/C)OCC	35091591	SISKQZPDMZHRME-FPLPWBNLSA-N	226.232	1.093	50	50	BDGA	
COc1cccc([C@H](C)NC(=O)[C@@H](F)Cl)n1	2325898632	OWBURGHVYZYNFY-IMTBSYHQSA-N	246.669	1.802	50	50	BDGA	
CCOC(=O)N/N=C(\C)c1cccnc1	6046869	KKWZIFLYWCOIIW-XYOKQWHBSA-N	207.233	1.552	50	50	BDGA	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NN	369785	BZNCKHGNOQBBRO-SECBINFHSA-N	236.315	1.741	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)N[C@H](C)C1=CCN(C)CC1	1875377785	NLACGOUYGBASJC-RKDXNWHRSA-N	230.739	1.380	50	50	BDGA	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NN	3127711	QRDXUCWCNIUPTK-YFKPBYRVSA-N	249.097	1.751	50	50	BDGA	
CCOC(=O)OCI	113533365	LZPGAKXEPQTPJB-UHFFFAOYSA-N	230.001	1.552	50	50	BDGA	
CC/C(=N\NC(=O)OC(C)(C)C)NC1CC1	43769313	XOFSHWLYCIZQTH-UHFFFAOYSA-N	227.308	1.987	50	50	BDGA	
COC(=O)[C@@H](Br)C(F)(F)F	2525277	BFNLYVZMYOKODI-UWTATZPHSA-N	220.972	1.485	50	50	BDGA	in-vitro
O=C(CCl)c1ccc2c(c1)OCCO2	4242320	ILEYSCVQRULQKW-UHFFFAOYSA-N	212.632	1.879	50	50	BDGA	in-vitro
OB(O)c1ccc(Cl)c2ccccc12	169888402	PIHWNQAUHGAUGC-UHFFFAOYSA-N	206.437	1.173	50	50	BDGA	
COc1ccc(NC(=O)CCl)c(OC)c1	152957	SPDLCISEBHCEFN-UHFFFAOYSA-N	229.663	1.881	50	50	BDGA	in-vitro
CC(C)c1ccc(O[C@@H](C)C(=O)NN)cc1	5912903	BIIGHQRXOSJTAP-VIFPVBQESA-N	222.288	1.567	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)N1CCOC[C@H]1[C@@H]1CCCO1	1875380581	SRHRLEKZPCMMPF-GUBZILKMSA-N	247.722	1.020	50	50	BDGA	
ClCc1nnc2ccc(Cl)nn12	169480699	ZSTXMYVITJJVLB-UHFFFAOYSA-N	203.032	1.517	50	50	BDGA	
Cc1csc2nc(CCl)cc(=O)n12	3887515	CTOHNLKENNHCNA-UHFFFAOYSA-N	214.677	1.803	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)N[C@H](CO)c1ccsc1	1875378022	UGPFRGZWSAHQLO-POYBYMJQSA-N	233.720	1.525	50	50	BDGA	
NNC(=O)COc1cc(Cl)ccc1Cl	436452	FXZGNSHGNWUJOJ-UHFFFAOYSA-N	235.070	1.362	50	50	BDGA	
O=C(CCCl)NCc1nc2ccccc2[nH]1	585655844	NAKXYQCOMPDJLO-UHFFFAOYSA-N	237.690	1.808	50	50	BDGA	
CCc1ccc([C@@H]2CC(=O)OC2=O)cc1	101684530	BEQDEKKRLRCUQO-JTQLQIEISA-N	204.225	1.806	50	50	BDGA	
O=C(NNc1ccccc1)[C@@H]1CCCCN1	238611336	MQARDQCYLATSGA-NSHDSACASA-N	219.288	1.272	50	50	BDGA	
C[C@@H](Cl)C(=O)Nc1ccccc1C(=O)O	40801948	MYHMNJBPZJOHGW-ZCFIWIBFSA-N	227.647	1.951	50	50	BDGA	
CC/C(=N\NC(N)=O)c1ccc(O)c(OC)c1	5015296	SJXBQFKOGQGGJM-MDWZMJQESA-N	237.259	1.183	50	50	BDGA	
OB(O)c1ccccc1COCc1cccs1	169926378	SFOLOFHRXQBYSP-UHFFFAOYSA-N	248.112	1.145	50	50	BDGA	
Cc1c([N+](=O)[O-])cc[n+]([O-])c1CCl	2029483	WTUOROFNVRAWHM-UHFFFAOYSA-N	202.597	1.275	50	50	BDGA	
O=C(Cc1ccccc1)NNC(=O)c1ccco1	54841	TXHHNCFEERPEGV-UHFFFAOYSA-N	244.250	1.283	50	50	BDGA	
IC[C@@H]1CCCOC1	117708562	UFXLWDZIZHVRJG-LURJTMIESA-N	226.057	1.848	50	50	BDGA	
OB(O)c1cccc(OCc2cccc(F)c2)c1	169903633	OGVHSTHPCKWLSC-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	
Cc1cccc(N(C)NC(=O)CCl)n1	337485	YPAZUWDXWUCAEI-UHFFFAOYSA-N	213.668	1.096	50	50	BDGA	
O=C(CCl)NCc1ccnn1C1CCCC1	1875379142	NSIJEBWVVZBJAK-UHFFFAOYSA-N	241.722	1.853	50	50	BDGA	
COc1ccc(C2CC(=O)OC(=O)C2)cc1F	147124335	GLQYZXYTPGHPKA-UHFFFAOYSA-N	238.214	1.782	50	50	BDGA	
COc1cc(C(=O)Cl)cc(OC)c1O	139064552	KQMFVBABPYFGIG-UHFFFAOYSA-N	216.620	1.788	50	50	BDGA	
NN(CC(F)(F)F)C(=O)OC1CCCC1	757129504	WZWSPMZRPBFRHW-UHFFFAOYSA-N	226.198	1.804	50	50	BDGA	
COC(=O)c1ccccc1NC(=O)CCl	43847	JFZUABNDWZQLIJ-UHFFFAOYSA-N	227.647	1.651	50	50	BDGA	in-vitro
CCC1(CNC(=O)[C@H](C)Cl)COC1	393968642	IUDQYTLKFTZJIL-ZETCQYMHSA-N	205.685	1.157	50	50	BDGA	
OB(O)c1cccc(SC2CCC2)c1	169934378	PMSWXHXJHVIBGW-UHFFFAOYSA-N	208.091	1.011	50	50	BDGA	in-vitro
CCCC(=O)NNC(=O)c1cccc(C)c1	5417382	UNDYKICNQNBKFD-UHFFFAOYSA-N	220.272	1.556	50	50	BDGA	
OB(O)c1cccc(SC2CCCCC2)c1	169951642	BHRQRSBOMCAGNE-UHFFFAOYSA-N	236.145	1.791	50	50	BDGA	
N#C/C(=C\c1ccccc1Cl)C(N)=O	126183	IZHILGRDFLIYQW-VMPITWQZSA-N	206.632	1.732	50	50	BDGA	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(O)cc1	15977019	DXVJRTIPBNBLLB-BJMVGYQFSA-N	236.234	1.559	50	50	BDGA	in-vitro
OB(O)c1cc(C(F)(F)F)ccc1Cl	169747048	YVMXEHZEYONARR-UHFFFAOYSA-N	224.374	1.039	50	50	BDGA	
O=C(N/N=C/c1ccc[nH]1)c1cccc(F)c1	298808	HMRNTMBABXMHSB-OVCLIPMQSA-N	231.230	1.918	50	50	BDGA	
O=C(CCl)NCc1ncc(C(F)(F)F)[nH]1	1875375221	VNIIDDRXOUIAGS-UHFFFAOYSA-N	241.600	1.284	50	50	BDGA	
C[C@@H]1S[C@H](C)C/C(=N/NC(N)=O)[C@@H]1C	4948345	DHPOGONLJWVUIH-WNXJBXIRSA-N	215.322	1.561	50	50	BDGA	
COc1ccc(OCC(=O)Cl)cc1	4892627	JVXJGLIGBHCEDP-UHFFFAOYSA-N	200.621	1.839	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)Nc1ccc(C(N)=O)cc1	2654630	IQXHRSUFQPFFIK-ZCFIWIBFSA-N	226.663	1.351	50	50	BDGA	in-vitro
Cc1cccc(Oc2ccc(B(O)O)cc2)c1	170016966	BICYMQDGXNOCML-UHFFFAOYSA-N	228.056	1.467	50	50	BDGA	
C[C@H]1/C(=N\NC(N)=O)C[C@@H](C)S[C@@H]1C	15636026	DHPOGONLJWVUIH-OZMLJFBKSA-N	215.322	1.561	50	50	BDGA	
NNC(=O)c1ccc(-n2cccc2)cc1	2578303	GPXSNEVNUORJCZ-UHFFFAOYSA-N	201.229	1.081	50	50	BDGA	in-vitro
Cc1cccc2ncc(CCCl)c(=O)n12	332183	XLNIHTARZRPSBK-UHFFFAOYSA-N	222.675	1.784	50	50	BDGA	
CCOC(=O)NNCCc1ccccc1	1843361	ZJJMOWHVKZSEQU-UHFFFAOYSA-N	208.261	1.480	50	50	BDGA	
O=C1c2ccccc2C(=O)N1CBr	1672938	UUSLLECLCKTJQF-UHFFFAOYSA-N	240.056	1.635	50	50	BDGA	biogenic,in-vitro
C[C@@H]1[C@H](c2ccccc2)NCC[C@@]1(O)C#N	229931958	XGKYKJBSKOHGSD-RAIGVLPGSA-N	216.284	1.612	50	50	BDGA	
N#CCCN(C[C@H]1CCOC1)C(=O)CCl	1875363474	CUDVVDFCEUSBFX-SECBINFHSA-N	230.695	1.004	50	50	BDGA	
CCCCOc1cccc(B(O)O)c1Cl	169933855	UYJMMBBEXLZVST-UHFFFAOYSA-N	228.484	1.199	50	50	BDGA	
CCOC(=O)N/N=C1/C(=O)Nc2ccccc21	5574280	MSRPFQRRTLFJFF-UHFFFAOYSA-N	233.227	1.089	50	50	BDGA	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN	133824	ZASHHUFHMQDNNE-YFKPBYRVSA-N	249.097	1.751	50	50	BDGA	
C[C@]12C=CC=C[C@@]1(C)CC(=NNC(N)=O)C2	43761730	XDKNOMIXVISQGH-TXEJJXNPSA-N	219.288	1.943	50	50	BDGA	
O=C(NNc1ccccn1)c1ccccn1	39238270	GCZPXNWBXDWHKM-UHFFFAOYSA-N	214.228	1.234	50	50	BDGA	
CCNC(=S)NNC(=O)Nc1ccccc1	8680977	SNCCUQNYEBJGQJ-UHFFFAOYSA-N	238.316	1.207	50	50	BDGA	
O=S1(=O)C=CC[C@H](Br)C=C1	45028146	MIMBAOXGHWPKNX-LURJTMIESA-N	223.091	1.596	50	50	BDGA	
OB(O)Cc1c(Cl)cccc1Cl	169747421	IVYUBQONLNWTIT-UHFFFAOYSA-N	204.849	1.548	50	50	BDGA	in-vitro
O=C1C[C@H](c2ccc(Cl)cc2)C(=O)O1	100494483	JKYPBYBOZSIRFW-MRVPVSSYSA-N	210.616	1.897	50	50	BDGA	in-vitro
CC(C)(C)OC(=O)NCCN=C=S	2568336	FWYDKMQRTRGCPC-UHFFFAOYSA-N	202.279	1.614	50	50	BDGA	in-vitro
Cn1cccc1CC(=O)N/N=C/c1ccco1	73629	ZDPDZKZKEPQHNX-UKTHLTGXSA-N	231.255	1.311	50	50	BDGA	
C[N+](C)(C)CC1(CBr)COC1	3200650	LZAOKLNBQZXQPT-UHFFFAOYSA-N	223.134	1.104	50	50	BDGA	
COc1ccc(Br)cc1C(=O)NN	8732372	CYUAWAKCVDQQJR-UHFFFAOYSA-N	245.076	1.061	50	50	BDGA	
OB(O)c1cccc(-c2ccc(Cl)cc2)c1	196955098	OBMFOORMFRWPAP-UHFFFAOYSA-N	232.475	1.687	50	50	BDGA	
NNC(=O)c1cc2cc(Cl)ccc2[nH]1	5769985	PWHHLZAKLPOCGN-UHFFFAOYSA-N	209.636	1.425	50	50	BDGA	
O=C1CC2(CCCC2)CC(=O)N1CCCl	21991230	GEAMHARJDLPVMU-UHFFFAOYSA-N	229.707	1.935	50	50	BDGA	
O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C(C5CC5)[C@@H]43)[C@@H]12	104188398	CFDWKHCYBDTMRV-AUINJBQDSA-N	242.274	1.700	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@H](C)c1ccn(C)n1	1875378249	YDDHFCIDZHWGNC-RNFRBKRXSA-N	215.684	1.225	50	50	BDGA	
O=C(CCl)N[C@@H](Cc1ccccc1)C(=O)O	163860	FUHGSOAURCZWCC-VIFPVBQESA-N	241.674	1.037	50	50	BDGA	in-vitro
O=C(CCCl)NCc1cccs1	6334852	XPMKYTIFCFPCBC-UHFFFAOYSA-N	203.694	1.993	50	50	BDGA	in-vitro
NNC(=O)C1c2ccccc2Oc2ccccc21	78682	VDVNAWMSFFMKDT-UHFFFAOYSA-N	240.262	1.914	50	50	BDGA	
O=C(CCl)NCc1nccc(C(F)F)n1	1327498781	KPIIRADEDCFFAY-UHFFFAOYSA-N	235.621	1.269	50	50	BDGA	
Cc1ccc(C)c(OCC(=O)NNC(C)C)c1	35653704	POSJVLUNSQUJGQ-UHFFFAOYSA-N	236.315	1.711	50	50	BDGA	
ClCC1(CI)COC1	5413103	AAHVBCSCIJYASL-UHFFFAOYSA-N	246.475	1.677	50	50	BDGA	
CC(C)C1C(C#N)=C(N)SC(N)=C1C#N	198061	JXNJFLYVHJFAPM-UHFFFAOYSA-N	220.301	1.393	50	50	BDGA	
NNC(=O)C1(c2ccc(Cl)cc2)CC1	36962666	IYULGJCMRMBMNP-UHFFFAOYSA-N	210.664	1.362	50	50	BDGA	
O=C(CCl)N[C@@H]1CCOc2ccccc2C1	1875367804	OIAPTJLCBASILM-SNVBAGLBSA-N	239.702	1.735	50	50	BDGA	
COC(=O)CCSSCCC(=O)OC	1625710	OSZKBWPMEPEYFU-UHFFFAOYSA-N	238.330	1.494	50	50	BDGA	
OB(O)c1cccc(Oc2ccccc2F)c1	170002477	CPTYXOPGOGPDSQ-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	
CC(C)(C)NS(=O)(=O)CCCCl	36881341	SPGDRXRIVPMUCK-UHFFFAOYSA-N	213.730	1.333	50	50	BDGA	
O=C(N/N=C/c1ccccn1)c1ccccc1O	259625	DLWUZZMMXCRNMJ-OQLLNIDSSA-N	241.250	1.551	50	50	BDGA	
O=C(CCl)NNC(=O)c1ccc(Cl)cc1	153384	SNTDMGMZOXNPPJ-UHFFFAOYSA-N	247.081	1.340	50	50	BDGA	
COc1ccc(CCN=C=O)cc1OC	2526525	VSGOCFOCTSWQHG-UHFFFAOYSA-N	207.229	1.582	50	50	BDGA	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)CCl	214470235	WCRYBJJGDDLNHW-LLVKDONJSA-N	249.738	1.987	50	50	BDGA	
CNC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	482973	NQHSVFSMTVQMNF-RUDMXATFSA-N	230.223	1.068	50	50	BDGA	
CC(C)CCOc1cc(B(O)O)c(F)cc1F	169964647	DZLCKYNMTVATGP-UHFFFAOYSA-N	244.046	1.070	50	50	BDGA	
CSC1=C(C#N)C2(CCCC2)[C@H](C#N)C(=O)N1	187348	PEFMFFVAOIIJPF-MRVPVSSYSA-N	247.323	1.915	50	50	BDGA	
C=CCNC(=S)NNC(=O)c1cccc(C)c1	3071129	LZRVBIMCXJQPPV-UHFFFAOYSA-N	249.339	1.290	50	50	BDGA	
C=CCOc1ccccc1/C=N/NC(N)=O	4366480	UWHZMMSFBJLDJT-MDWZMJQESA-N	219.244	1.254	50	50	BDGA	
CCOc1ccc(/C=N/NC(N)=O)cc1	2766160	RKQZGUCVHIWKTN-KPKJPENVSA-N	207.233	1.088	50	50	BDGA	
O=C(CBr)N1CCCCC1	9877347	GWJIPNKXIAJCPA-UHFFFAOYSA-N	206.083	1.394	50	50	BDGA	in-vitro
COC(=O)N1CCN(C[C@@H]2[C@H](C)[C@@H]2Cl)CC1	864087947	URPHXLSWJGJRAL-AEJSXWLSSA-N	246.738	1.244	50	50	BDGA	
Nc1ccc(C(=O)CBr)cc1	16696829	KEDZCZPTPIYWLM-UHFFFAOYSA-N	214.062	1.846	50	50	BDGA	in-vitro
CC[C@@H](Br)C(=O)N1CCOCC1	34143537	LPZWHLONFDUNEI-SSDOTTSWSA-N	236.109	1.019	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@@H]1CCCn2nccc21	1875366881	SODZLYICLYBLSV-HTQZYQBOSA-N	227.695	1.462	50	50	BDGA	
N#CC1(O)CCN(Cc2ccccc2)CC1	85774806	XQRLXUYZKZXSBN-UHFFFAOYSA-N	216.284	1.537	50	50	BDGA	in-vitro
CC(C)(C)NC(=O)C(=O)NN=C1CCCCC1	4499487	IGYNEZDXNNZQHC-UHFFFAOYSA-N	239.319	1.337	50	50	BDGA	
O=C(CCl)N1CC[C@]2(CC=CCO2)C1	1875370334	KTLPSJAOEYBJBA-SNVBAGLBSA-N	215.680	1.173	50	50	BDGA	
COc1cccc(/C=C(\C#N)C(=O)O)c1OC	2154781	IPADMOLZRSBMEV-RMKNXTFCSA-N	233.223	1.695	50	50	BDGA	
O=C(Cl)[C@@H]1CCCN1C(=O)C(F)(F)F	2546059	NUOYJPPISCCYDH-BYPYZUCNSA-N	229.585	1.305	50	50	BDGA	in-vitro
CSC(=S)NNC(=O)c1ccc(C)cc1	1729017	OOYGMVCTKHHBOP-UHFFFAOYSA-N	240.353	1.877	50	50	BDGA	
O=C(CCl)NCc1ccnn1[C@H]1CC1(F)F	1875369166	WZVCAAJYURZWQU-ZETCQYMHSA-N	249.648	1.318	50	50	BDGA	
COc1ccc(-c2ccc(B(O)O)cc2)cc1	169745040	VIHQQLWZRRVBNE-UHFFFAOYSA-N	228.056	1.042	50	50	BDGA	in-vitro
CC(C)(C)[Si](C)(C)O[C@H]1CCNC1=O	195826023	QEJCHYKXNFQQSM-QMMMGPOBSA-N	215.369	1.897	50	50	BDGA	in-vitro
O=C(CCl)N(CCO)Cc1cccc(F)c1	1875377988	SVWQTLUFQBEFDS-UHFFFAOYSA-N	245.681	1.385	50	50	BDGA	
CCOC(=O)C(=O)[C@H](Br)CC	34354407	NLBXGRQESZKPTO-RXMQYKEDSA-N	223.066	1.292	50	50	BDGA	
CC[C@@]1(C)CC(=O)N(CCCCl)C1=O	148763900	DXUJHMLLGXGKJU-JTQLQIEISA-N	217.696	1.791	50	50	BDGA	
CC(C)COC(=O)N(N)CC1CCC1	757132967	ZCDIJCONFVKIRE-UHFFFAOYSA-N	200.282	1.755	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCOC[C@@]1(C)C1CC1	725694644	MWFIFWFYNZNFEM-KCJUWKMLSA-N	231.723	1.641	50	50	BDGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccco1	301284	VXEGETJHRMEBKE-IZZDOVSWSA-N	249.182	1.545	50	50	BDGA	
O=C1CCc2cc(C(=O)CCl)ccc2N1	4205030	SUKDPTKEKHZBDT-UHFFFAOYSA-N	223.659	1.993	50	50	BDGA	in-vitro
C/C(=N\NC(=O)c1ccncc1)c1ccncc1	13688299	KQBTUBFRMPKRFX-MHWRWJLKSA-N	240.266	1.631	50	50	BDGA	
O=C(N[C@H](O)C(Cl)Cl)c1ccccc1	2008658	MLVRDFMUHOFHEN-SECBINFHSA-N	234.082	1.539	50	50	BDGA	
CCOC(=O)/C(C#N)=C/c1ccc(O)cc1	28208	HRBVVSOFSLPAOY-JXMROGBWSA-N	217.224	1.862	50	50	BDGA	
COC(=O)[C@H](Br)CBr	2042930	ROXQOUUAPQUMLN-GSVOUGTGSA-N	245.898	1.318	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)Nc1ccc(O)c(C(=O)O)c1	74941387	YFWZPOOZQRQDGJ-RXMQYKEDSA-N	243.646	1.656	50	50	BDGA	
CC(C)(C)OC(=O)N(N)c1cncnc1	328578553	OTBIDCSYDNRWGO-UHFFFAOYSA-N	210.237	1.092	50	50	BDGA	
O=C(N/N=C/c1cccnc1)c1cccs1	40268	PIZDMFKRKVPHEJ-MDWZMJQESA-N	231.280	1.907	50	50	BDGA	
N#CC(C#N)=Cc1ccc(N2CCOCC2)cc1	342449	CHKTYKSOGLZPFK-UHFFFAOYSA-N	239.278	1.954	50	50	BDGA	
COC(CCl)(CBr)OC	1869881	FWGJNRCQZRSHGJ-UHFFFAOYSA-N	217.490	1.609	50	50	BDGA	biogenic
Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)Cl	1875363820	AYJQBXPOQVNZHI-POYBYMJQSA-N	242.710	1.165	50	50	BDGA	
OB(O)c1ccc(Oc2ccc(F)cc2)cc1	169989493	BXLDWIUCAAJXIZ-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	in-vitro
Cc1ccc(COc2ccccc2B(O)O)cc1	197900522	YOUDZABXDDGGLL-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	
N#C/C(=C\c1ccncc1Cl)C(N)=O	1772572646	IKDUTZRJZDNIMG-XVNBXDOJSA-N	207.620	1.127	50	50	BDGA	
BrCC#CCBr	1604749	SAJMJXZROMTSEF-UHFFFAOYSA-N	211.884	1.780	50	50	BDGA	
Cc1cc(C(=O)N/N=C/c2ccc(F)cc2)[nH]n1	381599	QASPKHXGUOVERU-VGOFMYFVSA-N	246.245	1.621	50	50	BDGA	
CCNC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	1446804	AIDRUORQJYHRQU-BJMVGYQFSA-N	244.250	1.458	50	50	BDGA	
N#CC1=CCC[C@@H](OC(=O)C[C@@H]2COC(=O)C2)C1	888099756	WPCVUJLRFCOQSN-GHMZBOCLSA-N	249.266	1.485	50	50	BDGA	
Cc1cc(C(=O)N/N=C/c2ccc(C)s2)[nH]n1	5687247	QNHHFKNLHNQUFC-WUXMJOGZSA-N	248.311	1.852	50	50	BDGA	
O=C(NNC(=O)C1CC1)c1ccccc1Cl	512403	KXGPKFPKGBSIFK-UHFFFAOYSA-N	238.674	1.511	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@H]1CCCOCC1	306579795	XTVWUPGIDGCUPW-YUMQZZPRSA-N	205.685	1.299	50	50	BDGA	
C=C(C)C(=O)OCCC[Si](C)(OC)OC	169747706	LZMNXXQIQIHFGC-UHFFFAOYSA-N	232.352	1.861	50	50	BDGA	in-vitro
BrCC1(CBr)COC1	1564042	QOPMHMFIIMJWET-UHFFFAOYSA-N	243.926	1.793	50	50	BDGA	in-vitro
O=C(N/N=C/c1cccs1)[C@H]1CCCO1	1740112	DFUFOHVRWXRVBA-MXFUOJGSSA-N	224.285	1.377	50	50	BDGA	
O=C(Cl)[C@H]1CC(=O)N(C2CCCCC2)C1	33434071	FIATYLCSWNRCGP-QMMMGPOBSA-N	229.707	1.933	50	50	BDGA	
OB(O)c1c(Cl)ccc2ccccc12	238612607	XZYJWVSIBCCLNB-UHFFFAOYSA-N	206.437	1.173	50	50	BDGA	
COc1cccc(C=N/C(C#N)=C(\N)C#N)c1O	252463604	HYPOJQUWLSUZGN-GQMUBNSUSA-N	242.238	1.037	50	50	BDGA	
Cc1ccc(CN2CCC[C@@H](C(=O)NN)C2)cc1	23115318	JXYIGATXCSFSEM-CYBMUJFWSA-N	247.342	1.197	50	50	BDGA	
N#CC(C#N)=C(N)[C@@H](C#N)Cc1ccccc1	170622600	ZCLXECYWOINQSN-LLVKDONJSA-N	222.251	1.629	50	50	BDGA	
CN1CCN(C(=O)CCl)c2c(F)cccc21	1875368788	PQGLJZAWWHZRLP-UHFFFAOYSA-N	242.681	1.847	50	50	BDGA	
OB(O)c1cccc(OC2CCCCC2)c1	169922533	JXZKDQGRYCFMAV-UHFFFAOYSA-N	220.077	1.078	50	50	BDGA	in-vitro
CC12C[C@@H]3C[C@H](C1)CC(C(=O)NN)(C3)C2	15636905	ZEKDYQKKEDWYTK-LRSDLPTKSA-N	208.305	1.583	50	50	BDGA	
Cn1cccc1CC(=O)N/N=C/c1ccncc1	230812	SKYVIHJKZUBIIV-XNTDXEJSSA-N	242.282	1.113	50	50	BDGA	
CCCC(=O)NNC(=O)c1ccccc1	3163021	UOEQNTRKVGUPJL-UHFFFAOYSA-N	206.245	1.248	50	50	BDGA	
CC[C@H]1CCc2c(C(=O)NN)csc2C1	6122023	KCYUHNSKVLQILF-ZETCQYMHSA-N	224.329	1.867	50	50	BDGA	
COc1cccc(/C=C(\C#N)C(=O)O)c1	1625443	IMEFWVUNBYJXKG-WEVVVXLNSA-N	203.197	1.687	50	50	BDGA	in-vitro
CC(C)=NNC(=O)c1ccc([N+](=O)[O-])cc1	290208	YLMBYBOGVUKRGQ-UHFFFAOYSA-N	221.216	1.720	50	50	BDGA	
Cc1nnc(NC(=O)CCCl)s1	4079094	HJCJFPKVHRYHRM-UHFFFAOYSA-N	205.670	1.414	50	50	BDGA	
O=C(CCl)NC1([C@@H]2CCCO2)CCOCC1	1875368091	PEEUIAZUTRTHLP-VIFPVBQESA-N	247.722	1.070	50	50	BDGA	
O=S1(=O)CCC[C@H](CBr)C1	49584875	LLFQAXVALBTPTN-ZCFIWIBFSA-N	227.123	1.206	50	50	BDGA	in-vitro
OB(O)c1ccc(-c2ccccc2)c(F)c1	169744838	BWYWXDFYJSIUBE-UHFFFAOYSA-N	216.020	1.173	50	50	BDGA	in-vitro
ICC12CC(CO1)C2	307453573	SWEMXCZSPLYNSF-UHFFFAOYSA-N	224.041	1.600	50	50	BDGA	
CCC(CC)C(=O)c1c[nH]c(C(=O)NN)c1	1396093	VEUYKHJPBOBCRE-UHFFFAOYSA-N	223.276	1.237	50	50	BDGA	
C[C@H](NC(=O)CCl)C(=O)N1CCCC[C@H]1C	1323269056	JLYLOOLMPARMOY-BDAKNGLRSA-N	246.738	1.131	50	50	BDGA	
CCOC(=O)/C(C#N)=C1\C(=O)Nc2ccccc21	12412160	USFZCQWVLYCKDS-LUAWRHEFSA-N	242.234	1.479	50	50	BDGA	
CCC1([C@@H](C)Br)OCCO1	44831762	RXEWQZORLAAPAP-ZCFIWIBFSA-N	209.083	1.923	50	50	BDGA	
OB(O)c1ccccc1OC1CCCCC1	169746646	ASBLZMXOCYWQBZ-UHFFFAOYSA-N	220.077	1.078	50	50	BDGA	in-vitro
C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NN	2568673	YRVAGHBSQVDABX-RXMQYKEDSA-N	249.097	1.751	50	50	BDGA	
O=C(CCl)N[C@]1(CO)CCc2ccccc21	1875375691	KKTBQIFTNIWOGG-LBPRGKRZSA-N	239.702	1.175	50	50	BDGA	
Cc1nnc([C@@H](C)NC(=O)[C@@H](C)Cl)s1	307595348	KEAMEZYODCQAKH-RFZPGFLSSA-N	233.724	1.651	50	50	BDGA	
COc1cccc(/C=C(/C#N)C(N)=O)c1OC	25631384	CNDNYMIWLXETEG-TWGQIWQCSA-N	232.239	1.096	50	50	BDGA	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN	2561750	HBSXVJUCYZMFTD-ZCFIWIBFSA-N	230.720	1.811	50	50	BDGA	
COc1ccc(/C=C(\C#N)C(N)=O)cc1	12340765	SUCNFHGGPRWDID-RMKNXTFCSA-N	202.213	1.087	50	50	BDGA	biogenic,in-vitro
O=C(N/N=C/c1ccco1)c1ccc(O)cc1	59573	PUORTCYBHNMXSD-MDWZMJQESA-N	230.223	1.749	50	50	BDGA	
COC(=O)c1sc(/C(C#N)=C(/C)N)nc1C	225551348	ZKTYJBHISRKHKZ-ALCCZGGFSA-N	237.284	1.451	50	50	BDGA	
C#CCOCCSSCCOCC#C	575440730	UXMUCGURZSHSDV-UHFFFAOYSA-N	230.354	1.667	50	50	BDGA	
COc1ccncc1CBr	95628489	XXHRDRTUXJCMGA-UHFFFAOYSA-N	202.051	1.985	50	50	BDGA	in-vitro
COc1cc(/C=C\C=O)cc(OC)c1O	13522779	CDICDSOGTRCHMG-ARJAWSKDSA-N	208.213	1.622	50	50	BDGA	
O=C1NCc2c(NC(=O)[C@@H](F)Cl)cccc21	2325897986	ORERESMGMLQPGQ-MRVPVSSYSA-N	242.637	1.403	50	50	BDGA	
COC(=O)Cc1cnc(NC(=O)CCl)s1	574160	KDOOFRJSQNSJIG-UHFFFAOYSA-N	248.691	1.036	50	50	BDGA	
N#CSc1ccc(C(=O)O)cc1[N+](=O)[O-]	36719678	HQDASRYDGNESOF-UHFFFAOYSA-N	224.197	1.866	50	50	BDGA	
Cc1c(OCc2ccccc2)cccc1B(O)O	1083104351	JFWNLKWNHRKUSE-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	
CC(=O)NNC(=S)Nc1ccccc1F	6317959	IPUDEPQZNKOCBR-UHFFFAOYSA-N	227.264	1.163	50	50	BDGA	
O=C(CCl)O[C@@H]1C[C@H]2C=C[C@H]1CCC2=O	257359210	ZALHJLCDZZJUQY-QXFUBDJGSA-N	228.675	1.692	50	50	BDGA	
O=C(O)[C@H](Br)C(F)(F)F	34122768	GIGHXKRXTYSIQA-SFOWXEAESA-N	206.945	1.397	50	50	BDGA	in-vitro
COC(=O)C(F)(F)CBr	196363747	ZHPUJTGFHOCWAD-UHFFFAOYSA-N	202.982	1.190	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@@H](CO)c1ccsc1	1875378023	UGPFRGZWSAHQLO-SVRRBLITSA-N	233.720	1.525	50	50	BDGA	
CCOC(=O)[C@@H](Br)C1CC1	77028110	BTAPHOMYBWYDEU-LURJTMIESA-N	207.067	1.723	50	50	BDGA	in-vitro
CC(C)[C@@H]1CCO[C@@H]1CNC(=O)CCl	1875374854	HKGNXPLGSVIGAJ-DTWKUNHWSA-N	219.712	1.403	50	50	BDGA	
OB(O)Cc1cccc(OC(F)(F)F)c1F	170001580	ASCZTYHLNWHEAX-UHFFFAOYSA-N	237.945	1.279	50	50	BDGA	
O=C(CCl)N1CCc2ccccc2[C@H](O)C1	1875376524	ZSZLRQSYICPVSG-LLVKDONJSA-N	239.702	1.344	50	50	BDGA	
O=C=Nc1ccc(N2CCOCC2)c(F)c1	81119932	JFYQLZHULWIALT-UHFFFAOYSA-N	222.219	1.630	50	50	BDGA	in-vitro
CO[C@@H](CCl)n1nnc2ccccc21	5356205	AYNZQIDTMXAFLO-VIFPVBQESA-N	211.652	1.815	50	50	BDGA	
COc1ccc([C@@H]2CC(=O)OC2=O)cc1	101477447	GPNZEDFJEGABFE-VIFPVBQESA-N	206.197	1.252	50	50	BDGA	in-vitro
N#CC1=C(S)NC(=O)[C@@H](C#N)C12CCCCC2	12667943	YQJCLTNVDXLQLO-MRVPVSSYSA-N	247.323	1.871	50	50	BDGA	
Cc1nnc([C@H](C)NC(=O)[C@H](C)Cl)s1	307595350	KEAMEZYODCQAKH-WHFBIAKZSA-N	233.724	1.651	50	50	BDGA	
BrCOCBr	116776332	CVDGHGWEHQIJTE-UHFFFAOYSA-N	203.861	1.708	50	50	BDGA	
Cc1ncc(CI)cn1	220840993	AIHCEZXGGJQCNV-UHFFFAOYSA-N	234.040	1.720	50	50	BDGA	
O=C(CCl)Nc1ccc(O)c(C(=O)O)c1	1768401	VUVUIZLPXVSCBK-UHFFFAOYSA-N	229.619	1.268	50	50	BDGA	in-vitro
COc1ccc(NC(=O)CCl)cc1[N+](=O)[O-]	2798726	OHUQWGWBTRBDBD-UHFFFAOYSA-N	244.634	1.781	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCc2ncsc2C1	1875366475	NCSIXBPQYNLZAY-LURJTMIESA-N	230.720	1.655	50	50	BDGA	
O=C(N/N=C/c1ccccc1)c1ccccn1	227916	VKHPPPQEBGYWOR-XNTDXEJSSA-N	225.251	1.846	50	50	BDGA	
COC(=O)c1cccc(CBr)n1	2507102	GLLACFRFEBEMED-UHFFFAOYSA-N	230.061	1.763	50	50	BDGA	in-vitro
NNC(=O)COc1cccc(Cl)c1Cl	2561904	BHWOXDSGQNVQJA-UHFFFAOYSA-N	235.070	1.362	50	50	BDGA	
C=CCNCCC[Si](OC)(OC)OC	195761950	UBVMBXTYMSRUDX-UHFFFAOYSA-N	219.357	1.030	50	50	BDGA	
Cc1cc(C)n(C2CN(C(=O)[C@H](C)Cl)C2)n1	1875363988	GVXUVQIYWMKFEA-VIFPVBQESA-N	241.722	1.511	50	50	BDGA	
Cc1sc(NNC(N)=O)nc1C(F)(F)F	1615552880	SZGMPOHWBDYROT-UHFFFAOYSA-N	240.210	1.466	50	50	BDGA	
COC(=O)C12CC(CBr)(C1)C2	238375110	LYSOWTSCQASPAG-UHFFFAOYSA-N	219.078	1.725	50	50	BDGA	
C[C@H](Cl)C(=O)NC[C@H](C)N(C)C1CC1	218348148	YUEUIVRRNHXOJQ-YUMQZZPRSA-N	218.728	1.213	50	50	BDGA	
Cc1ccc(S(=O)(=O)N=C=S)cc1	8550345	MCFSCNLXHWWPOD-UHFFFAOYSA-N	213.283	1.787	50	50	BDGA	
CO[C@H]1C[C@]2(C)[C@@H](C)C[C@@H]3O[C@@H]3[C@]2(OC)OO1	101140149	LVIBOUPXCULKJH-ZXZMWMBJSA-N	244.287	1.467	50	50	BDGA	
CC(C)(C)OC(=O)N1CC(C(=O)CCl)C1	238142053	RIHBAFYOPAVGKE-UHFFFAOYSA-N	233.695	1.661	50	50	BDGA	
O=C(CCl)NCc1c[nH]nc1C(F)F	1875374357	LTYNFURPMUBRJO-UHFFFAOYSA-N	223.610	1.202	50	50	BDGA	
COCCc1ccc(OC[C@H](O)CCl)cc1	4071891	MAVSBQOSROXJQJ-LLVKDONJSA-N	244.718	1.854	50	50	BDGA	in-vitro
CCCCCCCOc1ccc(B(O)O)cc1	169745077	UHRONCCLURKEKO-UHFFFAOYSA-N	236.120	1.716	50	50	BDGA	in-vitro
OB(O)c1ccc(OC2CCCCC2)cc1	197095181	LRWBGLILWSKAMP-UHFFFAOYSA-N	220.077	1.078	50	50	BDGA	in-vitro
O=C(CBr)c1cccc(O)c1	2548296	IEPSGFQQGKPTPM-UHFFFAOYSA-N	215.046	1.970	50	50	BDGA	in-vitro
CC(C)CCNC(=O)[C@@H](C)Br	34926260	AWJGAHAVHAJGHN-SSDOTTSWSA-N	222.126	1.932	50	50	BDGA	
C[C@@H](Cl)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C	306334263	UFRFYJMRURNXIN-PRJMDXOYSA-N	201.697	1.728	50	50	BDGA	
OB(O)c1ccc(OCC2CCCCC2)cc1	169922466	KXOJKGOXRZMOBU-UHFFFAOYSA-N	234.104	1.326	50	50	BDGA	
O=C(N=c1[nH]oc2ccc(F)cc12)[C@H](F)Cl	2325901461	HEWAFEPRRDOZDA-ZETCQYMHSA-N	246.600	1.862	50	50	BDGA	
CCOc1cccc(-c2cc(C(=O)NN)[nH]n2)c1	4312144	PYGNMCTZTHMXDZ-UHFFFAOYSA-N	246.270	1.079	50	50	BDGA	
CC1CCN([C@@H](C)c2ccc(B(O)O)cc2)CC1	230539481	LZQGFPBEYKEQOO-LBPRGKRZSA-N	247.147	1.159	50	50	BDGA	
NNC(=O)COc1ccc(C(F)(F)F)cc1	1386427	QLRJAWXTNRAZNX-UHFFFAOYSA-N	234.177	1.074	50	50	BDGA	
ICC1CCOCC1	4277318	MQLFSPBSNWUXSO-UHFFFAOYSA-N	226.057	1.848	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCc2ncsc2C1	1875366476	NCSIXBPQYNLZAY-ZCFIWIBFSA-N	230.720	1.655	50	50	BDGA	
CC(C)(Oc1ccc(Cl)cc1)C(=O)NN	71504	HHDXKYSLBTXCGP-UHFFFAOYSA-N	228.679	1.487	50	50	BDGA	in-vitro
CC(C)CNC(=S)NNC(=O)c1ccco1	8685690	DVOOSCJHMZUGSQ-UHFFFAOYSA-N	241.316	1.045	50	50	BDGA	
C#CCn1cc(CN(C)C(=O)[C@H](F)Cl)cn1	2325898146	VDQPTQPPZZRQQO-VIFPVBQESA-N	243.669	1.009	50	50	BDGA	
Cc1cc(-c2ccccc2)ccc1B(O)O	204042109	OAIKVRYFBYWFFS-UHFFFAOYSA-N	212.057	1.342	50	50	BDGA	
CC(C)(C)NC(=O)CI	34071424	DTBBVLUBVPCFOB-UHFFFAOYSA-N	241.072	1.336	50	50	BDGA	
CO[Si](CCC(F)(F)F)(OC)OC	169746963	JLGNHOJUQFHYEZ-UHFFFAOYSA-N	218.247	1.817	50	50	BDGA	in-vitro
CSc1cc(B(O)O)cc(C(F)(F)F)c1	169794623	XIGZIOYWOLFBMQ-UHFFFAOYSA-N	236.023	1.107	50	50	BDGA	
O=C1OC(=O)[C@]23CC=CC[C@]12CCCC3	101042085	IHHGPJMNFQMSLY-TXEJJXNPSA-N	206.241	1.967	50	50	BDGA	
O=C([C@@H](F)Cl)N1CC[C@@]2(CCSC2)C1	2325898287	ZHAPQCAEVOCYBA-VXNVDRBHSA-N	237.727	1.876	50	50	BDGA	
BrCCO[C@H]1CCCCO1	2034919	GCUOLJOTJRUDIZ-ZETCQYMHSA-N	209.083	1.925	50	50	BDGA	
Cc1nc(C(=O)CBr)n(C(C)C)n1	116315913	FXPJVOPFIMFLSV-UHFFFAOYSA-N	246.108	1.745	50	50	BDGA	
O=C(CCl)N1CCC[C@H](CCO)CC1	1347089581	DAUYPAWRWUFUOY-VIFPVBQESA-N	219.712	1.236	50	50	BDGA	
O=C(CCl)NCCc1ccc2n[nH]cc2c1	1875374814	GBYRPFQKDQDAPK-UHFFFAOYSA-N	237.690	1.460	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CC[C@H](c2nccn2C)C1	1875378239	XYWCSYMWXJIPAV-BDAKNGLRSA-N	241.722	1.363	50	50	BDGA	
Cc1ccc(Cl)c(B(O)O)c1Br	169901972	FNGFBBSYYMTENN-UHFFFAOYSA-N	249.300	1.091	50	50	BDGA	in-vitro
Cc1ccc(OCc2ccccc2)c(B(O)O)c1	169747896	AMBDTEZABFLVAD-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	
CC#CCOc1cc(C(=O)Cl)ccn1	263625325	YSTBXTDQMQURFN-UHFFFAOYSA-N	209.632	1.863	50	50	BDGA	
C/C(=N\NC(=O)c1ccccn1)c1ccco1	5005533	RIALSAWSDNZIDK-NTEUORMPSA-N	229.239	1.829	50	50	BDGA	
CCOC(=O)[C@@H](C)I	2578866	AVMMXNKUHBWIMU-SCSAIBSYSA-N	228.029	1.373	50	50	BDGA	in-vitro
O=C(CCl)NC1Cc2ccccc2C1	2383425	YPMXQRVUYBPHMP-UHFFFAOYSA-N	209.676	1.509	50	50	BDGA	
C=CCNC(=O)[C@H](Br)C(C)C	1690030	WCNCYFCHRAPWKD-SSDOTTSWSA-N	220.110	1.708	50	50	BDGA	in-vitro
O=C(CCl)NCc1cccc(C(=O)O)c1	3161436	SXSAYQRAIHEUBP-UHFFFAOYSA-N	227.647	1.240	50	50	BDGA	
NNC(=O)CCc1c[nH]c2ccccc12	260475	ORDWJFLEEAHMJF-UHFFFAOYSA-N	203.245	1.090	50	50	BDGA	biogenic
O=C(N/N=C/c1ccco1)c1n[nH]c2c1CCC2	191683	IIJQKYNJARLBTP-NTUHNPAUSA-N	244.254	1.255	50	50	BDGA	
O=C(CCl)NC1(c2ncccn2)CCC1	1119379053	RUJAUZUKOYGHAI-UHFFFAOYSA-N	225.679	1.211	50	50	BDGA	
CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O	169744760	DKGZKEKMWBGTIB-UHFFFAOYSA-N	248.307	1.025	50	50	BDGA	
C=CCOc1ccc(/C=N/NC(C)=O)cc1	4372837	LPZYVKGXCLJNMV-UKTHLTGXSA-N	218.256	1.721	50	50	BDGA	
CC(C)(C)OC(=O)NNC1CCCC1	39091286	JQQJGTQKMJCMGT-UHFFFAOYSA-N	200.282	1.958	50	50	BDGA	in-vitro
Cc1cc(C)c(B(O)O)c(C)c1Br	169877039	JFQLVBOLIWMAIN-UHFFFAOYSA-N	242.909	1.054	50	50	BDGA	
BrCC12OC3CC(CC(C3)O1)O2	2555229	CSXFBEUWUQOEEC-UHFFFAOYSA-N	235.077	1.402	50	50	BDGA	
O=C(CCl)NCc1c[nH]nc1-c1ccccc1	1875377536	GLVPYUVLGHJMEK-UHFFFAOYSA-N	249.701	1.932	50	50	BDGA	
COC(=O)N/N=C\C=C\c1ccc2c(c1)OCO2	15798971	HDKJWBGZQNXYJJ-XZDBPOMRSA-N	248.238	1.770	50	50	BDGA	
Clc1cnn(CCBr)c1	19089276	JWVGNGVIZSRTHN-UHFFFAOYSA-N	209.474	1.931	50	50	BDGA	in-vitro
CC(C)(C)N(N)C(=O)OCC(F)(F)F	757129501	WZTBKBTXIWIYAT-UHFFFAOYSA-N	214.187	1.660	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@H]1CC[C@@H](OC(F)F)C1	1875376489	YNDJQVUADBZHND-LYFYHCNISA-N	241.665	1.890	50	50	BDGA	
C[C@H](NC(=O)[C@@H](C)Cl)c1ccns1	715965685	HJZZLDWJKNXUPA-RITPCOANSA-N	218.709	1.948	50	50	BDGA	
O[C@@H](CBr)CCBr	1736667	PSSRAPMBSMSACN-SCSAIBSYSA-N	231.915	1.527	50	50	BDGA	in-vitro
Cc1cc(NC(=O)[C@H](F)Cl)cnc1O	2325897888	LRSJTOYBQWTHEF-LURJTMIESA-N	218.615	1.569	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@H](CO)c1ccsc1	1875378021	UGPFRGZWSAHQLO-HTRCEHHLSA-N	233.720	1.525	50	50	BDGA	
C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NN	6249385	YRVAGHBSQVDABX-YFKPBYRVSA-N	249.097	1.751	50	50	BDGA	
O=C(c1cccc(CCl)c1)N1CCOCC1	34417320	GHWUAUHNOZGWQG-UHFFFAOYSA-N	239.702	1.898	50	50	BDGA	
CC(C)(C)c1nocc1CNC(=O)CCl	1875378297	YYZMEYZZPVTCJZ-UHFFFAOYSA-N	230.695	1.827	50	50	BDGA	
C/C(Nc1cccc(C)n1)=C(\C#N)C(N)=O	100576006	HBQKSYRSFCPPMC-HJWRWDBZSA-N	216.244	1.085	50	50	BDGA	
C[C@H](Cl)C(=O)N1C[C@H]2[C@H](C1)C2(C)C	306334260	UFRFYJMRURNXIN-FXQIFTODSA-N	201.697	1.728	50	50	BDGA	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(N)=O)C2	61655	QCEFOIDJHJPYIB-SVCYXEAESA-N	209.293	1.857	50	50	BDGA	
O=C(CBr)C1CC(F)(F)C1	307033691	UBHDFQFSCXCDCN-UHFFFAOYSA-N	213.021	1.996	50	50	BDGA	
CCCCCC(=O)c1ccc(B(O)O)cc1	169844752	MDARDEFCXPDTJR-UHFFFAOYSA-N	220.077	1.129	50	50	BDGA	
OB(O)c1cccc(OCc2ccc(F)cc2)c1	169903750	WSTWPQWJAKLITI-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	
OB(O)c1csc(C(F)(F)C(F)(F)F)c1	1857780159	OYKQSXHVEZXPBE-UHFFFAOYSA-N	245.965	1.082	50	50	BDGA	
COC(=O)[C@H]1CC[C@@H](Br)C1	117650558	NBNSTTSIQITBMQ-NTSWFWBYSA-N	207.067	1.723	50	50	BDGA	
Cc1cc(C(=O)NNc2ccnc(F)c2)no1	182509667	YGFIHTXWUIOBOP-UHFFFAOYSA-N	236.206	1.274	50	50	BDGA	
NNC(=O)c1cc(F)cc(Br)c1	37025932	KLBBCPJEJVLWPS-UHFFFAOYSA-N	233.040	1.192	50	50	BDGA	in-vitro
N#C/C(=C\c1ccc2n[nH]cc2c1)C(=O)O	1857785779	PDNXQUAYNQWFFY-FPYGCLRLSA-N	213.196	1.554	50	50	BDGA	
NNC(=O)c1ccc(Cc2ccccc2)o1	1233475	LZAWUFMFPLEJTO-UHFFFAOYSA-N	216.240	1.474	50	50	BDGA	
O=C(CCl)NC[C@@H]1OCc2ccccc21	1875367670	CCMUKYDKEQOVSK-JTQLQIEISA-N	225.675	1.613	50	50	BDGA	
CC[C@@]1(C)COCC[C@H]1NC(=O)CCl	1875375129	RTUQAHNWINDPQX-SCZZXKLOSA-N	219.712	1.547	50	50	BDGA	
CCOC(=O)[C@H]1CCC[C@H](Br)C1=O	5857624	VKCMWLOBUILIOQ-BQBZGAKWSA-N	249.104	1.682	50	50	BDGA	in-vitro
Cc1ccc(C[C@@H]2CC(=O)OC2=O)cc1	100405835	QCMVQYDQJJCWKE-SNVBAGLBSA-N	204.225	1.627	50	50	BDGA	
COc1ccccc1/C=N/NC(=O)c1ccn[nH]1	248620	KVLAQQUMYZCNGN-RIYZIHGNSA-N	244.254	1.182	50	50	BDGA	
COc1ccccc1CC(=O)CC(=O)Cl	263623388	HAHAXBVDNPTUFK-UHFFFAOYSA-N	226.659	1.962	50	50	BDGA	
CC(C)c1nnc(CCNC(=O)CCl)s1	1875366088	KPDUHTFDSOXIAT-UHFFFAOYSA-N	247.751	1.559	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@H]1CC[C@H](OC(F)F)C1	1875376488	YNDJQVUADBZHND-ACZMJKKPSA-N	241.665	1.890	50	50	BDGA	
O=C(CCl)Nc1ccc(C(=O)O)cc1	155972	FNXAWVZXABMYRM-UHFFFAOYSA-N	213.620	1.562	50	50	BDGA	in-vitro
O=C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2557997	JZPRXQSCMBDGKP-UHFFFAOYSA-N	209.117	1.470	50	50	BDGA	in-vitro
NNC(=O)COc1ccc2ccccc2c1	122673	QSMAUHGVXYUJKN-UHFFFAOYSA-N	216.240	1.209	50	50	BDGA	in-vitro
COc1cccc([C@@H]2CC(=O)OC2=O)c1	101684630	FBQPQJDZIGJWLI-VIFPVBQESA-N	206.197	1.252	50	50	BDGA	
Cc1nc(CNC(=O)[C@@H](F)Cl)oc1C	1875362152	SZJIWOFSGDFFNO-SSDOTTSWSA-N	220.631	1.442	50	50	BDGA	
C[C@]1(CCl)C[N@@]1S(=O)(=O)c1ccccc1	1857524776	RUAPLDLQHBIJCW-CMPLNLGQSA-N	245.731	1.688	50	50	BDGA	
Cc1ccc(C[C@H]2CC(=O)OC2=O)cc1	100405838	QCMVQYDQJJCWKE-JTQLQIEISA-N	204.225	1.627	50	50	BDGA	
CCc1cc(C(=O)NNC(=S)NC)cs1	6708643	LLUCSZANTNYZBP-UHFFFAOYSA-N	243.357	1.049	50	50	BDGA	
O=C(NNC(=O)C1CC1)Nc1ccccc1	512400	OJMOWSBGOJZPPR-UHFFFAOYSA-N	219.244	1.249	50	50	BDGA	
COc1cccc(NC(=O)NN(C)C)c1	2170954	PDOGILYMIZJNMK-UHFFFAOYSA-N	209.249	1.293	50	50	BDGA	
O=C(CCl)N1CCC[C@]2(C1)OC[C@@H]1C[C@@H]12	1875368694	LFKKYLAXKIIRSV-ATZCPNFKSA-N	229.707	1.253	50	50	BDGA	
C[C@H](Cl)C(=O)NCC12CC(CN1C1CC1)C2	1875368060	NABYLPVEMJRVPK-QTZUAFFRSA-N	242.750	1.357	50	50	BDGA	
OB(O)c1cccc(COC2CCCCC2)c1	169926303	HWXMWQGTMQLXJQ-UHFFFAOYSA-N	234.104	1.216	50	50	BDGA	in-vitro
COc1cccc(C=N/C(C#N)=C(/N)C#N)c1O	252463605	HYPOJQUWLSUZGN-ZJMMPCAASA-N	242.238	1.037	50	50	BDGA	
O=C(CCl)Nc1cccc2ccnn12	1875377747	MSDPBLIGUYABLE-UHFFFAOYSA-N	209.636	1.512	50	50	BDGA	
CC(=O)NNC(=O)c1ccccc1Cl	333595	JARLZRSFUFGXQH-UHFFFAOYSA-N	212.636	1.121	50	50	BDGA	
Cn1nccc1CN(C(=O)CCl)C1CC1	1875368032	KDYRVOSPZSSOKY-UHFFFAOYSA-N	227.695	1.150	50	50	BDGA	
CC(C)c1nnc(NC(=O)CCl)s1	59284	AARFUCMXVZRFBG-UHFFFAOYSA-N	219.697	1.839	50	50	BDGA	in-vitro
CCC(=O)NNC(=S)Nc1cccc(F)c1	6396501	VFHDGJCSMFKTPR-UHFFFAOYSA-N	241.291	1.553	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCC12CCC(CO)CC2	1875378216	XSMCUECFLALIAR-BMQDGWLCSA-N	245.750	1.767	50	50	BDGA	
CC1(C)C=CC[C@@H]2C[C@@H]2/C1=N\NC(N)=O	43761512	DTJKFXRRDPQKOC-KQEMOUSFSA-N	207.277	1.633	50	50	BDGA	
ClCCN1CCN(CCCl)CC1	19365197	JPFYIYQIGQYIMC-UHFFFAOYSA-N	211.136	1.082	50	50	BDGA	
CCn1ncc([N+](=O)[O-])c1C(=O)Cl	6125670	SEGMBFUPXYZVNI-UHFFFAOYSA-N	203.585	1.190	50	50	BDGA	
CO[Si](CCCBr)(OC)OC	169864254	GLISZRPOUBOZDL-UHFFFAOYSA-N	243.173	1.650	50	50	BDGA	in-vitro
COC[C@H](NC(=O)[C@H](C)Cl)c1ccccn1	1875369903	PEJLBCRLBNBJNA-WPRPVWTQSA-N	242.706	1.513	50	50	BDGA	
OB(O)c1ccccc1COc1ccc(F)cc1	169926329	ZQZAIIMLGZJOQD-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	in-vitro
C[C@@H](NC(=O)CCl)C(=O)N1CCCC[C@H]1C	1323269062	JLYLOOLMPARMOY-RKDXNWHRSA-N	246.738	1.131	50	50	BDGA	
CC(C)c1ccccc1O[C@H](C)C(=O)NN	2568680	VNROMPJDAZOFSX-SECBINFHSA-N	222.288	1.567	50	50	BDGA	in-vitro
CN1CCC[C@H](NNC(=O)c2ccccc2)CC1	34205916	HJCSHXABAVJCGJ-ZDUSSCGKSA-N	247.342	1.405	50	50	BDGA	in-vitro
C[C@@H](Nc1cccc(Cl)c1)C(=O)NN	34925116	KFNPFZUIQLVUJV-ZCFIWIBFSA-N	213.668	1.130	50	50	BDGA	
COc1ccc(C(=O)CCl)c(O)c1O	226864909	HSTLUYMZPKSBNX-UHFFFAOYSA-N	216.620	1.528	50	50	BDGA	
O=C(CCCl)Nc1ccc([N+](=O)[O-])cn1	5936598	OJVBSHRAPZVIJX-UHFFFAOYSA-N	229.623	1.557	50	50	BDGA	
CN(C)c1ncnc(SC#N)c1[N+](=O)[O-]	22017126	PIHLBYHSXLAARC-UHFFFAOYSA-N	225.233	1.024	50	50	BDGA	
N#CC(C#N)=Cc1cc2c(cc1[N+](=O)[O-])OCO2	95623	SRYYXVFONUYVLR-UHFFFAOYSA-N	243.178	1.754	50	50	BDGA	
CS(=O)(=O)c1ccc(N=C=S)cc1	15443874	VSEGGIPVCHEXNW-UHFFFAOYSA-N	213.283	1.824	50	50	BDGA	
CCNNC(=O)c1cc2ccccc2[nH]1	2028230	ADSDFEPFXXSNIZ-UHFFFAOYSA-N	203.245	1.422	50	50	BDGA	
CC(C)COc1cc(B(O)O)ccc1Cl	169934358	HMVMYENCQOGANR-UHFFFAOYSA-N	228.484	1.055	50	50	BDGA	in-vitro
CC(C)Oc1ccc2cc(B(O)O)ccc2c1	169926542	UDPYKUBNWRQNAE-UHFFFAOYSA-N	230.072	1.307	50	50	BDGA	
O=C(CCl)N[C@H](O)C(Cl)(Cl)Cl	2043785	YDCXJAACEIUSDW-GSVOUGTGSA-N	240.901	1.030	50	50	BDGA	
NNC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	39243722	NZOMKVXGGUYYJG-UUILKARUSA-N	247.085	1.500	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCOC[C@@H]1C(F)(F)F	1875364284	NBWPIQSTOYXJBF-PHDIDXHHSA-N	245.628	1.403	50	50	BDGA	
O=C(CCl)N[C@H]1CCCc2nc[nH]c21	1875377301	BNDTZFXRAPDSAC-ZETCQYMHSA-N	213.668	1.142	50	50	BDGA	
CC(C)NNC(=O)COc1ccc(Cl)cc1	1577	GGECDTUJZOXAAR-UHFFFAOYSA-N	242.706	1.748	50	50	BDGA	in-man
CC(=O)NNC(=S)NCc1ccc(C)cc1	6788217	ABKDMIWOZHMZHF-UHFFFAOYSA-N	237.328	1.010	50	50	BDGA	
NNC(=O)COc1ccccc1C(F)(F)F	70159871	QCFOJZULCYJYKX-UHFFFAOYSA-N	234.177	1.074	50	50	BDGA	
O=C(CCl)Nc1ccc2c(c1)COC2=O	15109085	MTDACMVGUSPWKD-UHFFFAOYSA-N	225.631	1.534	50	50	BDGA	
Cc1ccsc1/C=N\NC(=O)c1cnccn1	12463212	ZMAOCXYSNZMXJT-AUWJEWJLSA-N	246.295	1.610	50	50	BDGA	
CCCOC(=O)/C(C)=N\NC(=O)c1ccco1	4949371	KTRGVNIYAWGYIT-WQLSENKSSA-N	238.243	1.339	50	50	BDGA	
Cc1cc(C(=O)NNCc2ccccc2)no1	1587	XKFPYPQQHFEXRZ-UHFFFAOYSA-N	231.255	1.418	50	50	BDGA	biogenic,fda
CC(C)NC(=O)/C(C#N)=C\c1ccnc(O)c1	585136022	MPFYAGDWRPGQGL-YHYXMXQVSA-N	231.255	1.219	50	50	BDGA	
CCOc1cc(C(=O)NN)ccc1OC(F)F	2534384	PPRRVJMIIWCOBD-UHFFFAOYSA-N	246.213	1.290	50	50	BDGA	
O=C(N=C=S)c1ccc([N+](=O)[O-])cc1	162663	UNYZFXQNOYBLFS-UHFFFAOYSA-N	208.198	1.838	50	50	BDGA	in-vitro
Cc1ccc(-n2ncc(C(=O)NN)c2C)cc1	2532534	OLDCCJMGQXRSSP-UHFFFAOYSA-N	230.271	1.093	50	50	BDGA	in-vitro
CNC(=O)c1ccc(NC(=O)CCl)cc1	4218533	VDASREDBSSNOSU-UHFFFAOYSA-N	226.663	1.224	50	50	BDGA	
CO[Si](CC[C@@H]1CC[C@@H]2O[C@H]2C1)(OC)OC	198842439	DQZNLOXENNXVAD-DCAQKATOSA-N	246.379	1.822	50	50	BDGA	in-vitro
NNC(=O)c1ccc(NCc2ccccc2)cc1	246085	UXWMYMBEWDSDQN-UHFFFAOYSA-N	241.294	1.902	50	50	BDGA	
O=C(Nc1nccs1)[C@@H](F)CCl	2027840	GMDYYOHSFXNYIL-BYPYZUCNSA-N	208.645	1.659	50	50	BDGA	
CO[C@@H]1CC[C@@H]2N[C@H](Cl)C[C@H](C(=O)O)[C@H]2C1	254866271	CWGRCZUHVKLQCS-ZJDVBMNYSA-N	247.722	1.429	50	50	BDGA	
OB(O)c1cc(Oc2ccccc2)ccc1F	169746543	HEOPBVFYBMPJNY-UHFFFAOYSA-N	232.019	1.298	50	50	BDGA	in-vitro
COc1cc(CN=C=O)cc(OC)c1OC	2581139	CBXFFUMFHYJVAW-UHFFFAOYSA-N	223.228	1.548	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)N(C)Cc1ccnn1C	689519307	JNFFUAMIWUNOGC-ZETCQYMHSA-N	215.684	1.006	50	50	BDGA	
O=P(NO)(c1ccccc1)c1ccccc1	1703795	NJKRDPIHNOWVJI-UHFFFAOYSA-N	233.207	1.894	50	50	BDGA	
O=S(=O)(OCCCl)c1ccccc1	32501088	CIIGWOXXOUVEAD-UHFFFAOYSA-N	220.677	1.631	50	50	BDGA	in-vitro
CC(C)(NC(=O)CCl)[C@H](O)c1ccccc1	1875378018	UDDISBUJOSCPOA-LLVKDONJSA-N	241.718	1.854	50	50	BDGA	
CO[Si](CCc1ccccn1)(OC)OC	195756062	XVZMLSWFBPLMEA-UHFFFAOYSA-N	227.336	1.502	50	50	BDGA	
CCNC(NCC)=C(C#N)c1nc(C)cc(C)n1	1615585972	BHYBOIYZHHRUAL-UHFFFAOYSA-N	245.330	1.505	50	50	BDGA	
O=C(CBr)CBr	1767938	LQQKDSXCDXHLLF-UHFFFAOYSA-N	215.872	1.345	50	50	BDGA	biogenic,in-vitro
N#C/C(N)=C(/C#N)N=Cc1cccc(Cl)c1	252463542	BKMDREINDHMFQI-GMESXRFWSA-N	230.658	1.976	50	50	BDGA	
CCCOc1ccc(B(O)O)c(C(F)(F)F)c1	169934088	VLCNWPKMMHEGHU-UHFFFAOYSA-N	248.009	1.174	50	50	BDGA	
N#CCC(=O)OC(=O)Nc1ccc(F)cc1	100852859	RPGRIQCXYZMNED-UHFFFAOYSA-N	222.175	1.814	50	50	BDGA	
C[C@H](Cl)C(=O)NCc1cnc2sccn12	1875368121	SCOFXIVOFSGOTM-LURJTMIESA-N	243.719	1.639	50	50	BDGA	
C[C@H](Cl)C(=O)N1CC(COC(F)F)C1	1875375829	JMUJERKXSOCYQD-YFKPBYRVSA-N	227.638	1.311	50	50	BDGA	
CC(C)Oc1cc(B(O)O)c(Cl)cc1Cl	169934399	OMFHFEFPEHEGLG-UHFFFAOYSA-N	248.902	1.460	50	50	BDGA	in-vitro
CCCCOc1c(F)cc(B(O)O)cc1Cl	169955339	WWRLALPWGKYOSD-UHFFFAOYSA-N	246.474	1.338	50	50	BDGA	
NN(C(=O)OC1CCCC1)c1ncccn1	757127525	KYSZXFFBIGYVFK-UHFFFAOYSA-N	222.248	1.236	50	50	BDGA	
O=C(N/N=C/c1ccccc1)c1cccnc1	62054	BAZGGMGNEFKCHN-OQLLNIDSSA-N	225.251	1.846	50	50	BDGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NN	117586	XNJKEFANLKRJPC-LURJTMIESA-N	214.652	1.097	50	50	BDGA	
CC(C)(C)OC(=O)N1CCO[C@H](CCl)C1	66054686	LKTUWBGNUYXETD-MRVPVSSYSA-N	235.711	1.861	50	50	BDGA	
O=C(CCl)N1CC[C@H](Cc2nccs2)C1	1120079572	QJJNCCPVZKRMRD-MRVPVSSYSA-N	244.747	1.773	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@H]1CCCn2nccc21	1875366884	SODZLYICLYBLSV-YUMQZZPRSA-N	227.695	1.462	50	50	BDGA	
O=C(CCl)N1CCCC[C@H]([C@H]2CCOC2)C1	1334366065	XSARTPUNRMGTRD-QWRGUYRKSA-N	245.750	1.890	50	50	BDGA	
CCc1cc(COCCNC(=O)CCl)on1	1875378682	JBAMHECQHHRVHI-UHFFFAOYSA-N	246.694	1.109	50	50	BDGA	
O=C(O)c1cccc(C(=O)CBr)c1	2511030	QKEFOVJZNPELQH-UHFFFAOYSA-N	243.056	1.962	50	50	BDGA	in-vitro
Cc1cc(Cl)ccc1N[C@@H](C)C(=O)NN	66324336	PZBYODLDRQPDOT-ZETCQYMHSA-N	227.695	1.439	50	50	BDGA	
CC[C@@H](Br)C(=O)NCCCOC	32919654	WSIWFNKQFVQQSN-SSDOTTSWSA-N	238.125	1.313	50	50	BDGA	
CC(=N\O)/C(C)=N/NC(=O)c1ccccc1	55525134	UIIJJIYQCSOSSY-MXOVAJDFSA-N	219.244	1.642	50	50	BDGA	
CN1CCC(NNC(=O)OC(C)(C)C)CC1	73652750	JUGXBEWHGLYADG-UHFFFAOYSA-N	229.324	1.110	50	50	BDGA	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@H]1CC2(F)F	1875368611	FLXQMKXPUXCITR-XVMARJQXSA-N	223.650	1.870	50	50	BDGA	
OB(O)c1cccc(Cl)c1C(F)(F)F	169905997	ICRQHMYYORUKKC-UHFFFAOYSA-N	224.374	1.039	50	50	BDGA	
CCCOc1ccc(CC(=O)NN)cc1	20134028	ZKXFKQGIDXDDFZ-UHFFFAOYSA-N	208.261	1.008	50	50	BDGA	
O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl	95719254	VBJIFLOSOQGDRZ-UHFFFAOYSA-N	242.939	1.719	50	50	BDGA	
CCCNC(=O)/C(C#N)=C/c1oc(C)nc1C	864087247	QANLREGDVIXUFH-UXBLZVDNSA-N	233.271	1.725	50	50	BDGA	
C/C=C/C=N/NC(=O)c1ccc(OC)cc1	1751200	XZVGDDRXCDAMEW-GUNLQBCDSA-N	218.256	1.987	50	50	BDGA	
O=C(CCl)N1CC[C@@]2(CC=CCO2)C1	1875370333	KTLPSJAOEYBJBA-JTQLQIEISA-N	215.680	1.173	50	50	BDGA	
N#CC(C#N)=Cc1ccc([N+](=O)[O-])c(O)c1	2560269	DUQADSPERJRQBW-UHFFFAOYSA-N	215.168	1.731	50	50	BDGA	in-vitro
C/C(=N\NC(N)=O)c1ccccc1Cl	139436	QRYYNWCEQGXCED-WUXMJOGZSA-N	211.652	1.732	50	50	BDGA	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Cl)OC2=O	100019027	PAXWODJTHKJQDZ-NXEZZACHSA-N	216.664	1.874	50	50	BDGA	
Cc1cccc(COc2ccccc2B(O)O)c1	197900515	QYZHCROTEXJECX-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCO[C@@](C)(C(F)F)C1	698783573	VWOXWSZEQCGPSK-IMTBSYHQSA-N	241.665	1.496	50	50	BDGA	
NNC(=O)CNc1cccc2ccccc12	3160597	WIDCEKLDSLDEHI-UHFFFAOYSA-N	215.256	1.242	50	50	BDGA	
CC1(C)OC[C@@H](CI)O1	8700017	BBKBPYFNBFEICG-RXMQYKEDSA-N	242.056	1.573	50	50	BDGA	
O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)O1	100405841	CVKJJLKYLJDWDM-MRVPVSSYSA-N	224.643	1.972	50	50	BDGA	
CC1=C(C)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)OC(=O)[C@H]21	254714684	BDIHXCWQHPNJAL-UCFKJQRDSA-N	230.263	1.700	50	50	BDGA	
C[C@H](CC1CCCC1)C(=O)NN(C)[C@H](C)CO	585089634	SOJRWVWTLFDSDJ-GHMZBOCLSA-N	242.363	1.547	50	50	BDGA	
CCOC(=O)c1sc(NNC(C)=O)nc1C	96368	JDCJWQSKNFIJCC-UHFFFAOYSA-N	243.288	1.091	50	50	BDGA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCl	3245266	FCDAGNIVHLUJRM-UHFFFAOYSA-N	244.634	1.781	50	50	BDGA	
O=CNNC(=S)Nc1ccccc1Cl	5942100	HBHWABYMZCFAJJ-UHFFFAOYSA-N	229.692	1.287	50	50	BDGA	
C[C@H](Cl)C(=O)N(C)Cc1noc(C2CC2)n1	1875366145	VCEOWSJMELJRRQ-LURJTMIESA-N	243.694	1.533	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H]1CC[C@H](OC(F)F)C1	1875376491	YNDJQVUADBZHND-XVMARJQXSA-N	241.665	1.890	50	50	BDGA	
CCCOc1ccc(B(O)O)c(Cl)c1Cl	169964738	VOHPWLJZKVUWHQ-UHFFFAOYSA-N	248.902	1.462	50	50	BDGA	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN	4750776	JSWSUAXAZWIIAT-ZETCQYMHSA-N	228.679	1.406	50	50	BDGA	in-vitro
O=C(CCl)NCCCn1nccc1C1CC1	1875377385	ZDSSFDZHIQBTHY-UHFFFAOYSA-N	241.722	1.506	50	50	BDGA	
CN(C)CCNC1=C(C#N)C(=O)CC(C)(C)C1	2080385342	BMCQCKBJXRPBES-UHFFFAOYSA-N	235.331	1.304	50	50	BDGA	
CN(C)/C=C(\C#N)C(=O)Nc1nccs1	252480069	BUBAYYMHPGFYEN-VOTSOKGWSA-N	222.273	1.051	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCOC[C@H]1[C@H]1CCCO1	1875380583	SRHRLEKZPCMMPF-LPEHRKFASA-N	247.722	1.020	50	50	BDGA	
FC1(CI)COC1	95630837	YLUZKLPBHBABDH-UHFFFAOYSA-N	215.993	1.160	50	50	BDGA	in-vitro
CC(=O)NNC(=O)c1cccc(Cl)c1	136737	WWNGHMIDIUIFJA-UHFFFAOYSA-N	212.636	1.121	50	50	BDGA	
CC(C)(C)OC(=O)N1CC[C@H]1C(=O)CCl	83259179	RITDKFINXLSZFM-ZETCQYMHSA-N	233.695	1.804	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)NCC[C@@H](O)C(F)(F)F	717323637	PIODQPNWNWRTAZ-CRCLSJGQSA-N	233.617	1.043	50	50	BDGA	
O=C1c2ccccc2C(=O)[C@H](Cl)[C@H]1O	5738992	DOGINPBVOYYUHF-OIBJUYFYSA-N	210.616	1.034	50	50	BDGA	
Cc1csc(=O)n1CCBr	4206972	ACLIABPJMWUSQB-UHFFFAOYSA-N	222.107	1.613	50	50	BDGA	in-vitro
O=C(CCl)Nc1ccc2nsnc2c1	857673	SZNNYMQTOGKOMZ-UHFFFAOYSA-N	227.676	1.869	50	50	BDGA	
CC(C)(C)OC(=O)COCCBr	214943027	MXCPNUHKYMLSRV-UHFFFAOYSA-N	239.109	1.740	50	50	BDGA	
O=C/C(=C\O)c1ccc(C(=O)O)cc1[N+](=O)[O-]	153795	ZHDCDDXLUGQFNY-QPJJXVBHSA-N	237.167	1.391	50	50	BDGA	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccco1	4108312	NRQADWUYGDRSNY-UHFFFAOYSA-N	247.210	1.945	50	50	BDGA	
COC(=O)N/N=C1\CC(=O)c2ccccc21	102308744	GFKFFGOLGZUEDA-FMIVXFBMSA-N	218.212	1.333	50	50	BDGA	
CN(C)/C=C(\I)C=O	71773513	AHWCNVWCBYBGQI-HYXAFXHYSA-N	225.029	1.023	50	50	BDGA	
C[C@H](Cl)C(=O)N1CC[C@H](c2nccn2C)C1	1875378241	XYWCSYMWXJIPAV-IUCAKERBSA-N	241.722	1.363	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCOc2ncccc2C1	1875378193	XBQSBRSBDQHJFO-MRVPVSSYSA-N	240.690	1.430	50	50	BDGA	
CN(CCc1ccccc1O)C(=O)CCl	1875366386	GKJHMDQJZIRTRX-UHFFFAOYSA-N	227.691	1.632	50	50	BDGA	
C[C@H](NC(=O)CCl)c1cnn(C2CC2)c1	1875367890	WCKBLLXLRXCVEQ-ZETCQYMHSA-N	227.695	1.634	50	50	BDGA	
COC(=O)[C@@H](O)CCO[Si](C)(C)C(C)(C)C	169905886	DCLHQXCUVDZBNE-VIFPVBQESA-N	248.395	1.932	50	50	BDGA	
NNC(=O)c1cc(-c2cccs2)on1	2554089	UONIOLDTDNNOKX-UHFFFAOYSA-N	209.230	1.007	50	50	BDGA	
N#CCC(=O)OC(=O)Nc1ccccc1	101018936	YPYCLVSLLVBJNM-UHFFFAOYSA-N	204.185	1.675	50	50	BDGA	
Cn1cc(C(=O)NNc2ccccc2)ccc1=O	111550594	ZPBARERVFVTVJN-UHFFFAOYSA-N	243.266	1.142	50	50	BDGA	
O=C(NNCCc1ccccc1)OCCCl	1843362	QWNOOFAKMVTLJK-UHFFFAOYSA-N	242.706	1.699	50	50	BDGA	
CCCC(=O)NNC(=O)Cc1ccccc1	3103945	XTVATYUSRBUHJW-UHFFFAOYSA-N	220.272	1.177	50	50	BDGA	
C[C@H](O)CCC(=O)N/N=C/c1ccccc1	3105723	BMZMSBBXPFAURY-YWEFTTLKSA-N	220.272	1.298	50	50	BDGA	
O=C(CCl)c1ccc2[nH]c(=O)[nH]c2c1	3287171	XVJCMNPIXOVPIA-UHFFFAOYSA-N	210.620	1.278	50	50	BDGA	in-vitro
COC[C@H](Br)C(OC)OC	1693435	GAFSXURUCDQGFB-YFKPBYRVSA-N	213.071	1.015	50	50	BDGA	
O=C1[C@H]2[C@@H]3C[C@@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]([C@@H]5Br)[C@H]42	245227106	AMHCEXBDUDDEPZ-PRHYKBRWSA-N	239.112	1.707	50	50	BDGA	
CC(C)N(C(=O)CCl)[C@H]1CCCC[C@H]1O	1875369706	CDCNZDYZHKCDKI-VHSXEESVSA-N	233.739	1.766	50	50	BDGA	
OB(O)c1cccc(COCc2cccs2)c1	169926375	BLYQDAUIIYVBPR-UHFFFAOYSA-N	248.112	1.145	50	50	BDGA	
COc1c(Cl)cccc1NC(=O)NN(C)C	2172126	KBWROPOGZHYFJI-UHFFFAOYSA-N	243.694	1.947	50	50	BDGA	
Cc1nc(N)sc1C(=O)CBr	59179602	PGFMEUCSGCDKLF-UHFFFAOYSA-N	235.106	1.611	50	50	BDGA	
CCc1nc([C@@H]2CCCN2C(=O)CCl)no1	1875364720	RPBYGRFNSVKXEA-ZETCQYMHSA-N	243.694	1.534	50	50	BDGA	
CN(Cc1ccccc1B(O)O)c1ccccc1	195808783	NKQAMYVFGSUOKY-UHFFFAOYSA-N	241.099	1.003	50	50	BDGA	
Cn1c(CNC(=O)CCl)nc2ccccc21	4386758	JCUHJXHFEGAMCK-UHFFFAOYSA-N	237.690	1.428	50	50	BDGA	
O=C(NNc1ccccc1)C(F)(F)F	1729738	HWPBXYPSTIZFGV-UHFFFAOYSA-N	204.151	1.692	50	50	BDGA	
C#CCOCCI	238577493	SNIHFSORRRKZHM-UHFFFAOYSA-N	210.014	1.071	50	50	BDGA	
CC(C)c1ccc(B(O)O)c(C(C)C)c1	169922582	RPNRGXOGAZPWKF-UHFFFAOYSA-N	206.094	1.613	50	50	BDGA	
ICC[C@@H]1CCO1	616567994	SKWJZCJFYFPQHY-RXMQYKEDSA-N	212.030	1.600	50	50	BDGA	
O=C(CCl)NCCCc1ccccc1	3288002	DSJCNQDIRDONSP-UHFFFAOYSA-N	211.692	1.974	50	50	BDGA	in-vitro
O=S1(=O)CC[C@H](CCBr)C1	32629016	ZPHGSPMHSCJYFG-LURJTMIESA-N	227.123	1.206	50	50	BDGA	in-vitro
CN1C(=O)COc2ccc(C(=O)CCl)cc21	4136938	ZWYXNGYJESSKDQ-UHFFFAOYSA-N	239.658	1.463	50	50	BDGA	in-vitro
CCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1	50119	HERMOQICANQEMJ-WDEREUQCSA-N	232.283	1.348	50	50	BDGA	
C[C@@H](Cl)C(=O)N(C)CC[C@H]1CCCCN1C	1875364073	HWOALUHDXUPLSL-GHMZBOCLSA-N	246.782	1.947	50	50	BDGA	
C[C@H](Cl)C(=O)Nc1ncc(C(=O)O)s1	725256629	YLEFQVRZUFWNKL-VKHMYHEASA-N	234.664	1.407	50	50	BDGA	
CC(C)[C@@H](NC(=O)CCl)c1ncon1	1875378326	ZVUMJHFMUPGWOL-SSDOTTSWSA-N	217.656	1.122	50	50	BDGA	
C[C@@H](CO)N(C)NC(=O)[C@H](C)CC1CCCC1	585089635	SOJRWVWTLFDSDJ-MNOVXSKESA-N	242.363	1.547	50	50	BDGA	
COC(=O)c1ccccc1[S@](=O)CCl	25631286	KZQZOKMURSYUSS-AWEZNQCLSA-N	232.688	1.777	50	50	BDGA	
COC1(OC)CC(CBr)C1	95743128	XIPCGMXQXXCDKP-UHFFFAOYSA-N	209.083	1.780	50	50	BDGA	in-vitro
O=C(CCl)N[C@H]1CCn2cccc2C1	1875376860	LEOJIRQZBGRTGO-QMMMGPOBSA-N	212.680	1.158	50	50	BDGA	
CS(=O)(=O)c1ccccc1CCl	11848539	RKEIQGFHGMYUON-UHFFFAOYSA-N	204.678	1.829	50	50	BDGA	in-vitro
COC(=O)c1cncc(CBr)c1	49581957	AEZXIAKNBQNDPO-UHFFFAOYSA-N	230.061	1.763	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H]1CCCn2nccc21	1875366882	SODZLYICLYBLSV-JGVFFNPUSA-N	227.695	1.462	50	50	BDGA	
Cc1cc2ncc(NC(=O)CCl)cn2n1	1875374632	BGHDMHGXQMPTAT-UHFFFAOYSA-N	224.651	1.215	50	50	BDGA	
CC(C)CSc1ccc(B(O)O)cc1	169904923	ROAGXTNYXGUULT-UHFFFAOYSA-N	210.107	1.115	50	50	BDGA	in-vitro
OC(CBr)CBr	1596390	KIHQZLPHVZKELA-UHFFFAOYSA-N	217.888	1.137	50	50	BDGA	biogenic,in-vitro
COc1ccc(CS(=O)(=O)F)cc1	147405475	CZWBDCOSNUSOIL-UHFFFAOYSA-N	204.222	1.495	50	50	BDGA	
OB(O)c1cc2ccc(Cl)cc2s1	219373795	QTQPNLHYCCIQGO-UHFFFAOYSA-N	212.466	1.235	50	50	BDGA	
O=C(NCCCl)NC1CCCCC1	1596503	BIOZXMXBLXQEBQ-UHFFFAOYSA-N	204.701	1.857	50	50	BDGA	
O=C1C(Cl)=C(Cl)C(=O)N1CCl	3130222	WNXZZEAFBGHDCL-UHFFFAOYSA-N	214.435	1.241	50	50	BDGA	
CC1[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@H]1C(=O)OC(=O)[C@H]21	101003738	PLBCMLQTBDFVQG-GNLHNYBNSA-N	244.290	1.924	50	50	BDGA	
OCCSSCCO[C@H]1CCCCO1	115090808	HUXQKDXLBYDKAK-VIFPVBQESA-N	238.374	1.903	50	50	BDGA	
Cc1ccc(-c2nsc(C(=O)NN)n2)cc1	725345941	GJDASWOEEYNJMO-UHFFFAOYSA-N	234.284	1.117	50	50	BDGA	
Cc1cc(C(=O)NN)c2ccccc2n1	2568379	FECUFBYEIDSVGX-UHFFFAOYSA-N	201.229	1.147	50	50	BDGA	in-vitro
CCCCCC(=O)NNC(=O)Cc1ccccc1	2729496	NRXUWXDPLHBEBP-UHFFFAOYSA-N	248.326	1.957	50	50	BDGA	
Cc1c(B(O)O)ccc(Br)c1Cl	306918083	YZPOZPMOVWCDEQ-UHFFFAOYSA-N	249.300	1.091	50	50	BDGA	
O[C@@H]1CCC[C@@]12OCC[C@H]2Br	38975510	FHCXAUHFTLZJMI-PRJMDXOYSA-N	221.094	1.454	50	50	BDGA	
O=C(NCCCl)Nc1cccc([N+](=O)[O-])c1	2022269	IZXPMGXAUUALNM-UHFFFAOYSA-N	243.650	1.955	50	50	BDGA	
Cc1sc(NC(=O)CCl)c(C(N)=O)c1C	5533551	GJBUPLMJCBBJCV-UHFFFAOYSA-N	246.719	1.641	50	50	BDGA	
CO[C@@H]1CC[C@@H]2N[C@H](Cl)C[C@@H](C(=O)O)[C@@H]2C1	254866265	CWGRCZUHVKLQCS-KGDYZURWSA-N	247.722	1.429	50	50	BDGA	
CC(C)OCC[C@@H](C#N)NC(=O)[C@@H](C)Cl	1875304074	YUSUNBAMLIGTJE-BDAKNGLRSA-N	232.711	1.437	50	50	BDGA	
ICC[C@H]1CCO1	616567995	SKWJZCJFYFPQHY-YFKPBYRVSA-N	212.030	1.600	50	50	BDGA	
OB(O)c1ccc(C2=CCCCC2)cc1	1772572587	CYLLYELXGUEYMB-UHFFFAOYSA-N	202.062	1.324	50	50	BDGA	
Cc1ccc(S(=O)(=O)OCCCl)cc1	1693263	ZXNMIUJDTOMBPV-UHFFFAOYSA-N	234.704	1.939	50	50	BDGA	in-vitro
CCO/C=C(\C#N)S(=O)(=O)C(C)(C)C	2510242	UEZQDEIGENVNHG-BQYQJAHWSA-N	217.290	1.601	50	50	BDGA	in-vitro
N#Cc1ccc(NCCBr)cn1	757135570	VIWOUOHHTLZGCB-UHFFFAOYSA-N	226.077	1.760	50	50	BDGA	
Nc1ccc2c3c(cccc13)C(=O)OC2=O	95585341	QIXHMCMCFSNKOG-UHFFFAOYSA-N	213.192	1.733	50	50	BDGA	in-vitro
O/N=C(\CBr)C(F)(F)F	100048639	GTAMTJKIIPLJSN-KRXBUXKQSA-N	205.961	1.774	50	50	BDGA	in-vitro
CSc1ncc(OC[C@@H](O)CCl)cn1	3130175	OJLNFCRVWGFYQK-LURJTMIESA-N	234.708	1.177	50	50	BDGA	
CC(C)[C@@H]1C[C@@H](CNC(=O)CCl)CCO1	1875375329	ZQEZYGMMKFSLLM-UWVGGRQHSA-N	233.739	1.793	50	50	BDGA	
O=C(CCl)N[C@H]1CCOc2ccccc2C1	1875367803	OIAPTJLCBASILM-JTQLQIEISA-N	239.702	1.735	50	50	BDGA	
O=C1OC(=O)C2=C1CCc1ccccc12	100037328	FSVOMBDSHMMPER-UHFFFAOYSA-N	200.193	1.470	50	50	BDGA	in-vitro
BrC[C@H](Br)[C@@H]1CO1	101367060	ZSVKDSDYRMOCFH-IMJSIDKUSA-N	229.899	1.544	50	50	BDGA	
CC1=C(C)[C@H]2C=CC=C[C@H]1C2=NNC(N)=O	101044310	MQLNCNWEIJOVDH-NXEZZACHSA-N	217.272	1.719	50	50	BDGA	
Cn1ccc(/C=C(\C#N)C(=O)C(C)(C)C)n1	6823335	NITUTOFONXCIBS-VQHVLOKHSA-N	217.272	1.942	50	50	BDGA	
OB(O)c1cccc2sc3ccccc3c12	196238439	JJMKWIWQQJZXDP-UHFFFAOYSA-N	228.081	1.734	50	50	BDGA	
Cc1ccn2ncc(NC(=O)[C@@H](F)Cl)c2n1	2325898157	VOSSZFNGPXPUAI-SSDOTTSWSA-N	242.641	1.511	50	50	BDGA	
O=C=Nc1cc(Br)cnc1F	958527855	FOMQMRMYPHSFPQ-UHFFFAOYSA-N	216.997	1.951	50	50	BDGA	
COCCN(CCOC)S(F)(F)F	100011656	APOYTRAZFJURPB-UHFFFAOYSA-N	221.244	1.954	50	50	BDGA	
CO/N=[N+](\O)C(Br)Br	225304284	CIMVWTSTFDSSDE-UHFFFAOYSA-N	248.882	1.475	50	50	BDGA	
O=C(O)[C@@H](Br)CC(F)(F)F	16082661	RUKHEOCYZLWSQX-REOHCLBHSA-N	220.972	1.787	50	50	BDGA	in-vitro
N#C[C@](O)(c1ccccc1)C(F)(F)F	100046576	FFXHDJHFAYTIHJ-QMMMGPOBSA-N	201.147	1.960	50	50	BDGA	
O=C(CCl)Nc1cccc2c1OCO2	32117974	CRUBVSFVVWJDKV-UHFFFAOYSA-N	213.620	1.593	50	50	BDGA	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCl	1875377723	LVYPOWSRADXPBY-SCZZXKLOSA-N	217.696	1.323	50	50	BDGA	
Cc1cc(C)cc(O[C@H](C)C(=O)NN)c1	2380788	BFDPGHYRXROEHO-SECBINFHSA-N	208.261	1.061	50	50	BDGA	in-vitro
O=S1(=O)CC[C@@H](CCBr)C1	32629014	ZPHGSPMHSCJYFG-ZCFIWIBFSA-N	227.123	1.206	50	50	BDGA	in-vitro
COC(=O)[C@@H]1CC[C@@H](Br)C1	117650556	NBNSTTSIQITBMQ-PHDIDXHHSA-N	207.067	1.723	50	50	BDGA	
O=C(Cl)c1ccnc(N2CCOCC2)c1	116414252	OQFAXSPFUPJZMP-UHFFFAOYSA-N	226.663	1.297	50	50	BDGA	
CCCOc1c[nH]c(CCl)cc1=O	36108824	ADISOUHHSFFVDS-UHFFFAOYSA-N	201.653	1.903	50	50	BDGA	
COC(=O)/C(C#N)=C\Nc1ccccn1	259088	YJEFWQJXFLYMRP-FPLPWBNLSA-N	203.201	1.074	50	50	BDGA	
CCc1cccc(/C(C)=N/NC(N)=O)n1	389463873	GTXIEFPFWTZRQG-NTUHNPAUSA-N	206.249	1.036	50	50	BDGA	
S=C=Nc1ccc(N2CCOCC2)nc1	19851679	VLZWMPRZGPULIU-UHFFFAOYSA-N	221.285	1.653	50	50	BDGA	
O=C1C[C@H](c2ccccc2Cl)C(=O)O1	100648336	XYQWSLDOLWQXFW-SSDOTTSWSA-N	210.616	1.897	50	50	BDGA	
C[C@H](Cl)C(=O)Nc1ccc2c(c1)NC(=O)C2	1875366942	BAUCOLZEAXMVHS-LURJTMIESA-N	238.674	1.747	50	50	BDGA	
COC(=O)NNC(=O)Nc1cccc(OC)c1	2850816	OMUWOWSGTMQHSA-UHFFFAOYSA-N	239.231	1.088	50	50	BDGA	
COc1ccc(C(=O)CCl)c2c1C(=O)CO2	225501165	NFGLLURJBWACGJ-UHFFFAOYSA-N	240.642	1.692	50	50	BDGA	
N#C/C(=C/c1ccccc1Cl)C(N)=O	126184	IZHILGRDFLIYQW-YVMONPNESA-N	206.632	1.732	50	50	BDGA	
OCc1cccc(CBr)n1	35567193	JLYYQZROGJLCCS-UHFFFAOYSA-N	202.051	1.469	50	50	BDGA	in-vitro
CC(=O)N(C)c1ccccc1NC(=O)CCl	40401	FDVHZQKRRURKBV-UHFFFAOYSA-N	240.690	1.847	50	50	BDGA	
C[C@H]1[C@@H](c2ccccc2)NC[C@@H](C)[C@]1(O)C#N	239432951	WYWIMOATJMGNNL-UVLXDEKHSA-N	230.311	1.858	50	50	BDGA	
COc1nc(CBr)ccc1C#N	98179675	AFNYRKLXIHEKHN-UHFFFAOYSA-N	227.061	1.857	50	50	BDGA	
CCOC(=O)CCCI	28278534	RLZFVPPGVAHZPE-UHFFFAOYSA-N	242.056	1.765	50	50	BDGA	in-vitro
Cn1cccc1CC(=O)N/N=C/c1cccnc1	230776	KMTHUFJNDWEDQA-XNTDXEJSSA-N	242.282	1.113	50	50	BDGA	
O=C(CCl)Nc1cc([N+](=O)[O-])ccc1O	96379393	OCOPCFMOIXUZCA-UHFFFAOYSA-N	230.607	1.478	50	50	BDGA	in-vitro
O=CNNC(=O)C1(Cc2ccccc2)CCC1	408516160	VEQLWOGMNXDLBY-UHFFFAOYSA-N	232.283	1.177	50	50	BDGA	
COc1cccc(/C=N/NC(=O)CC#N)c1	291276	BQZUAAFPVRBUQG-MDWZMJQESA-N	217.228	1.059	50	50	BDGA	
CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)O	2567619	NMRCVEILBKVWIK-YFKPBYRVSA-N	223.656	1.203	50	50	BDGA	in-vitro
COc1ccc(/C(C)=N/NC(N)=O)cc1	12350250	BDWNPKPUKNYIOF-KPKJPENVSA-N	207.233	1.088	50	50	BDGA	in-vitro
O=C(N[C@@H](O)C(Cl)Cl)c1ccccc1	1587584	MLVRDFMUHOFHEN-VIFPVBQESA-N	234.082	1.539	50	50	BDGA	
O=C(OC(=O)c1ccncc1)c1ccncc1	44459913	ORBIGZZHMAJXAZ-UHFFFAOYSA-N	228.207	1.474	50	50	BDGA	
Cc1ccsc1/C=N/NC(=O)CC#N	567388	ZLBNGHLDLBLJLI-IZZDOVSWSA-N	207.258	1.420	50	50	BDGA	
Cc1nc2c(s1)CN(C(=O)[C@H](F)Cl)C2	2325901638	OWZJPTPABRLIOH-ZETCQYMHSA-N	234.683	1.828	50	50	BDGA	
CC(C)c1cccc(C(C)C)c1B(O)O	169981918	UPXGMXMTUMCLGD-UHFFFAOYSA-N	206.094	1.613	50	50	BDGA	in-vitro
CC(C)c1ccc(O[C@H](C)C(=O)NN)cc1	2568675	BIIGHQRXOSJTAP-SECBINFHSA-N	222.288	1.567	50	50	BDGA	in-vitro
NNC(=O)COc1cccc(C(F)(F)F)c1	2390392	CVXTVRVYODCHAX-UHFFFAOYSA-N	234.177	1.074	50	50	BDGA	
CC(C)(C)C(=O)N[C@H](O)C(Cl)Cl	3121644	BKFVOCGJWYAQHN-RXMQYKEDSA-N	214.092	1.271	50	50	BDGA	
O[C@@H]1CCC[C@@]12OCC[C@@H]2Br	71786695	FHCXAUHFTLZJMI-RNJXMRFFSA-N	221.094	1.454	50	50	BDGA	
O=C(CCl)Cn1nnc2ccccc21	5777729	INRLHOWDOGFXJJ-UHFFFAOYSA-N	209.636	1.239	50	50	BDGA	in-vitro
CCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1	50121	HERMOQICANQEMJ-GHMZBOCLSA-N	232.283	1.348	50	50	BDGA	
NNC(=O)c1cc(Cl)sc1Cl	59490125	WVGRHOXSKSEHSX-UHFFFAOYSA-N	211.073	1.658	50	50	BDGA	
CC[C@H](NC(=O)CCl)c1cocn1	1875378371	BFUWBVBBBQWAMP-LURJTMIESA-N	202.641	1.481	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCC2(CC1)OCCCO2	1875378243	XZHQLFAXVIHUKE-SECBINFHSA-N	247.722	1.369	50	50	BDGA	
Cn1cc(/C=N/NC(=O)CC#N)c2ccccc21	443150	LZWFZVAIWGKAET-OVCLIPMQSA-N	240.266	1.542	50	50	BDGA	
CC(=O)OC(C)(C)C(=O)Br	2390035	OOKAXSHFTDPZHP-UHFFFAOYSA-N	209.039	1.250	50	50	BDGA	
Cc1ccc(C[C@H]2C(=O)OC(=O)[C@@H]2C)cc1	100405857	MEDNFLOADJSQQZ-MWLCHTKSSA-N	218.252	1.873	50	50	BDGA	
N#C[C@@H](Cc1ccccc1)NC(=O)CCl	1875361752	HTQRMBOLUHFFOV-SNVBAGLBSA-N	222.675	1.476	50	50	BDGA	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)CCl	1323269058	JLYLOOLMPARMOY-DTWKUNHWSA-N	246.738	1.131	50	50	BDGA	
CN(C)c1ccc([C@H]2N[C@@H](CCl)CO2)cc1	19300657	OFPHRPHIISLCLQ-JQWIXIFHSA-N	240.734	1.978	50	50	BDGA	
FC(F)C1(CBr)COC1	606302488	UEDXQERWLLMWMP-UHFFFAOYSA-N	201.010	1.663	50	50	BDGA	
Cc1cccc(C(=O)NNC(=O)c2ccco2)c1	146525	KWPUSJXPUBMUIV-UHFFFAOYSA-N	244.250	1.663	50	50	BDGA	
O=C(N/N=C/c1ccc[nH]1)[C@@H](O)c1ccccc1	4937462	ZHQUGXRWAOOQSR-DGGAMASNSA-N	243.266	1.198	50	50	BDGA	
C[C@H](Cl)C(=O)N(CCC#N)C[C@@H]1CCOC1	1875363664	QLTJJFQCGNAHHX-UWVGGRQHSA-N	244.722	1.392	50	50	BDGA	
N#C/C(=C/c1cn[nH]c1)C(=O)Nc1ccccc1	751526917	PGKGLQWSCAHVJM-WDZFZDKYSA-N	238.250	1.955	50	50	BDGA	
COC(=O)c1sc(NC(=O)CCl)nc1C	6255013	LERXBCQPIAOSSM-UHFFFAOYSA-N	248.691	1.415	50	50	BDGA	
COc1cccc(CC(=O)CC(=O)Cl)c1	263624846	URBAZFVJNCXVFB-UHFFFAOYSA-N	226.659	1.962	50	50	BDGA	
CCOC(=O)/C(C#N)=C\[C@H]1CCCN(C)C1	5591958	ODMWDGXPWMXGLI-PAKSIRSJSA-N	222.288	1.341	50	50	BDGA	
NNC(=O)c1cccc(C(F)(F)F)c1	153355	HGUSYNBASYGAMC-UHFFFAOYSA-N	204.151	1.309	50	50	BDGA	in-vitro
O=C(CCl)NCc1ccc(F)cc1	3093752	KNOOZPRRCORIDE-UHFFFAOYSA-N	201.628	1.681	50	50	BDGA	in-vitro
O=C(N/N=C/c1cccc(F)c1)c1cnccn1	351702	WUNYDYJLBQUWLA-FRKPEAEDSA-N	244.229	1.380	50	50	BDGA	
O=C(O)c1ccc2[nH]c(CCl)nc2c1	5687381	RUUZCJOZQGGVGL-UHFFFAOYSA-N	210.620	2.000	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)N[C@@H]1CCCOCC1	306579792	XTVWUPGIDGCUPW-HTQZYQBOSA-N	205.685	1.299	50	50	BDGA	
CC(C)(O)C(/C=C/c1ccccc1)=N/NC(N)=O	298424	BQRXEOWHWJGZRK-QCTDOKRBSA-N	247.298	1.495	50	50	BDGA	
N#CC(NC(=O)C1CC1)=C(Cl)Cl	1857799846	HARMCYQLEUHDER-UHFFFAOYSA-N	205.044	1.683	50	50	BDGA	
CNC(=S)NNC(=O)c1csc(C)c1C	8300344	FZJZTSFJMIKPEM-UHFFFAOYSA-N	243.357	1.104	50	50	BDGA	
Cc1ccnc([C@H](NC(=O)CCl)C2CC2)n1	1875377669	KNOQJNSBKKTFND-SNVBAGLBSA-N	239.706	1.591	50	50	BDGA	
O[C@@H](CCl)COc1ccc(F)cc1	2581140	OSIKOYZBGUHWAB-QMMMGPOBSA-N	204.628	1.804	50	50	BDGA	
NNC(=O)c1sccc1-n1cccc1	2387418	MLRRKUROSDWIBD-UHFFFAOYSA-N	207.258	1.142	50	50	BDGA	
Cc1nscc1N(C)C(=O)[C@@H](F)Cl	2325898126	TWSORDGPTYNPJD-ZCFIWIBFSA-N	222.672	1.949	50	50	BDGA	
C[C@@]12[C@H]3[C@@H]4[C@H]5C(=O)OC(=O)[C@H]5[C@@H]5[C@H]3[C@@]1(C)[C@H]5[C@@H]42	254735160	VSXGOCWVVVTOMM-YGQDVTKJSA-N	230.263	1.080	50	50	BDGA	
O=C(CCl)NCc1ncoc1C(F)(F)F	1875369201	ZTDIDBVMEGXIOX-UHFFFAOYSA-N	242.584	1.548	50	50	BDGA	
CCOC(=O)NN[C@@H](C)c1ccccc1	2027383	MSIUIUDKTKNUET-VIFPVBQESA-N	208.261	1.998	50	50	BDGA	in-man
O=S(=O)(S)c1ccc(Cl)cc1	11549112	GDUXAYWBHVYCGM-UHFFFAOYSA-N	208.691	1.959	50	50	BDGA	
CN1CCC[C@@H](NC(=O)[C@H](F)Cl)CC1	2325897813	JTHYQGIKGYYDKV-SFYZADRCSA-N	222.691	1.121	50	50	BDGA	
Cn1nccc1C(=O)NNc1ccccc1F	153329257	GFYNCZBZPBXWSF-UHFFFAOYSA-N	234.234	1.316	50	50	BDGA	
O=C(CCl)Nc1nnc([C@@H]2CCCO2)s1	7951855	OIQCAXSBMRGPLU-YFKPBYRVSA-N	247.707	1.567	50	50	BDGA	
Cc1occc1C(=O)N/N=C\c1cccnc1	33346787	IEPYVUGXSJPOHQ-ZSOIEALJSA-N	229.239	1.747	50	50	BDGA	
N#CSc1cc(SC#N)c(N)nc1N	95725713	ZXOBLNBVNROVLC-UHFFFAOYSA-N	223.286	1.392	50	50	BDGA	in-vitro
O=C(CCl)N[C@@]1(CO)CCc2ccccc21	1875375690	KKTBQIFTNIWOGG-GFCCVEGCSA-N	239.702	1.175	50	50	BDGA	
C[C@H](Cl)C(=O)NCc1noc2c1CCCC2	1875366055	DEEVNWBJVLIMQU-ZETCQYMHSA-N	242.706	1.797	50	50	BDGA	
COC(=O)NNC(=O)c1ccccc1Cl	46497	WBUSXLFGZFYJPF-UHFFFAOYSA-N	228.635	1.341	50	50	BDGA	
O=C(O)CCCC(=O)NNc1ccccc1	2143647	QTLKDDFSGWQJKC-UHFFFAOYSA-N	222.244	1.385	50	50	BDGA	
C=CCNC(=S)NNC(=O)C1CCCCC1	6361743	ZSRTZWLERQMEQN-UHFFFAOYSA-N	241.360	1.248	50	50	BDGA	
OB(O)c1cccc2c(Cl)cccc12	238626595	BSSDYINOXISHRI-UHFFFAOYSA-N	206.437	1.173	50	50	BDGA	
NNC(=O)[C@]12[C@H]3CCC[C@@H]1[C@@]32c1ccccc1	245226547	BNILRHQAVFHIFF-VWUVDNNOSA-N	228.295	1.344	50	50	BDGA	
CCO[Si](CCCN=C=O)(OCC)OCC	169743380	FRGPKMWIYVTFIQ-UHFFFAOYSA-N	247.367	1.761	50	50	BDGA	in-vitro
NNC(=O)CSc1ccc2ccccc2n1	324472	PPTNSSPMURAGHS-UHFFFAOYSA-N	233.296	1.317	50	50	BDGA	
CCOC(=O)[C@H](Br)C(C)C	1648283	WNFUWONOILPKNX-ZCFIWIBFSA-N	209.083	1.969	50	50	BDGA	in-vitro
CCCCC(=O)Nc1cccc(C(=O)NN)c1	2981385	SSLDJJCMIOLCCV-UHFFFAOYSA-N	235.287	1.419	50	50	BDGA	
CCc1ccc(O[C@@H](C)C(=O)NN)cc1	6124244	PWOLWSDGPSFVOT-QMMMGPOBSA-N	208.261	1.006	50	50	BDGA	in-vitro
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@H]3C=C[C@H]4C3)[C@@H]12	104292956	OFKIERVADQOMGB-NAFDPXLYSA-N	228.247	1.454	50	50	BDGA	
OB(O)c1cccc(OCC2CCCCC2)c1	169922509	DXVYSTNQUGABIL-UHFFFAOYSA-N	234.104	1.326	50	50	BDGA	
COC(=O)/C(C#N)=C/c1nc(C)cs1	4542592	XDAWTIRTNBQIRG-XVNBXDOJSA-N	208.242	1.532	50	50	BDGA	
O=C1[C@@H]2[C@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12	245227104	AMHCEXBDUDDEPZ-NUANJEPISA-N	239.112	1.707	50	50	BDGA	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(=O)F	95682112	XAKMJUAGVWKMOB-UHFFFAOYSA-N	244.037	1.885	50	50	BDGA	in-vitro
CCOC(=O)/C(C#N)=C1/C(=O)Nc2ccccc21	75377	USFZCQWVLYCKDS-PKNBQFBNSA-N	242.234	1.479	50	50	BDGA	in-vitro
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN	265146	BBRKRFSNWOXEKX-VIFPVBQESA-N	230.267	1.597	50	50	BDGA	in-vitro
CCc1sc(/C=N/NC(N)=O)cc1[N+](=O)[O-]	43733	XVQPTPYFSBYFPH-ONNFQVAWSA-N	242.260	1.221	50	50	BDGA	
O=C(CBr)NCCc1ccccc1	10382370	NIFSTJXZBDBHDF-UHFFFAOYSA-N	242.116	1.740	50	50	BDGA	
OB(O)c1cc(F)c(C(F)(F)F)cc1Cl	170001563	HOLDZZKCHOTLGD-UHFFFAOYSA-N	242.364	1.178	50	50	BDGA	
Cc1ccc(C)n1-c1ccccc1C(=O)NN	5589208	DVFUCUFJPSVXLW-UHFFFAOYSA-N	229.283	1.698	50	50	BDGA	
CC(=O)NNC(=S)N[C@@H](C)c1ccccc1	6522115	FSHWNENZEWVCDV-QMMMGPOBSA-N	237.328	1.263	50	50	BDGA	
O=C(CCCl)NNC(=O)c1ccc(F)cc1	252509474	YOMUKKSMFUOSIJ-UHFFFAOYSA-N	244.653	1.216	50	50	BDGA	
O=C(CCl)N[C@H](CO)c1cccc(Cl)c1	1875366427	IXAUAXHZWZPDEB-SECBINFHSA-N	248.109	1.728	50	50	BDGA	
COc1cc(O)c(C=O)c(CCl)c1	1775954958	BIRDGMHGUQXHJA-UHFFFAOYSA-N	200.621	1.952	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCO[C@](C)(C(F)F)C1	698783577	VWOXWSZEQCGPSK-RCOVLWMOSA-N	241.665	1.496	50	50	BDGA	
Cc1ccc(S(=O)(=O)/C=C/C#N)cc1	2568458	DOEWDSDBFRHVAP-KRXBUXKQSA-N	207.254	1.806	50	50	BDGA	in-vivo
O=C(N/N=C/c1ccncc1)c1ccncc1	255669	RVAFAIOWXGOYMP-OQLLNIDSSA-N	226.239	1.241	50	50	BDGA	
CN(NC(=N)C(F)(F)F)C(=O)OC(C)(C)C	1772572679	YFBYNXJGXSBKNW-UHFFFAOYSA-N	241.213	1.897	50	50	BDGA	
O=C(NCCCl)c1cccc([N+](=O)[O-])c1	40972757	NRKRSUHTEQFTHV-UHFFFAOYSA-N	228.635	1.563	50	50	BDGA	
C[C@@H](Br)C(=O)Nc1ccccn1	19094185	AGOKFOHYVATACC-ZCFIWIBFSA-N	229.077	1.804	50	50	BDGA	
Cc1ccc(COc2ccc(B(O)O)cc2)cc1	169807377	VDNJTMREUYRXMT-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	
O=C(CCCl)NNC(=O)c1cccc(F)c1	242649217	RWOIMFSBXZZCDQ-UHFFFAOYSA-N	244.653	1.216	50	50	BDGA	
COc1cc([C@@H](C)NC(=O)CCl)sn1	1875367265	KOBCJFCHIZOIAV-RXMQYKEDSA-N	234.708	1.568	50	50	BDGA	
CO[Si](CC[C@@H]1CC[C@H]2O[C@@H]2C1)(OC)OC	169746972	DQZNLOXENNXVAD-HBNTYKKESA-N	246.379	1.822	50	50	BDGA	in-vitro
CCCOc1cc(B(O)O)ccc1C(F)(F)F	169964671	ZBNIPOKQNJULTM-UHFFFAOYSA-N	248.009	1.174	50	50	BDGA	
Cc1ccc(Cl)c(OCC(=O)NN)c1	2561893	UURYIYZPXLOZGJ-UHFFFAOYSA-N	214.652	1.017	50	50	BDGA	
NNC(=O)c1oc2ccccc2c1-n1cccc1	1393732	NRVZIYDVWFQSJB-UHFFFAOYSA-N	241.250	1.827	50	50	BDGA	
CC[C@@H](NNC(C)=O)c1ccc(O)cc1	71773395	RDKRIPFNYKSMOM-LLVKDONJSA-N	208.261	1.484	50	50	BDGA	
O=C(CCl)NCc1n[nH]c2c1CCCC2	1875389888	GTKRJWFBVNWQLM-UHFFFAOYSA-N	227.695	1.144	50	50	BDGA	
O=C(CCl)Nc1cc([N+](=O)[O-])ccc1F	3281060	BCDJZGSHZUVZCW-UHFFFAOYSA-N	232.598	1.911	50	50	BDGA	
O=C(Cl)CN1C(=O)c2ccccc2C1=O	1594318	RHZBRCQIKQUQHQ-UHFFFAOYSA-N	223.615	1.048	50	50	BDGA	
NC(=S)NNC(=O)Nc1ccc(Cl)cc1	4956469	ORICCFOEWXWRDP-UHFFFAOYSA-N	244.707	1.210	50	50	BDGA	
CN(C(=O)CSC#N)c1ccccc1	71773928	VSFTZVOYEMWXIU-UHFFFAOYSA-N	206.270	1.864	50	50	BDGA	
Cc1ncc2c(n1)CCN(C(=O)[C@@H](C)Cl)C2	1875364873	WUXWMAJDKFGGBV-SSDOTTSWSA-N	239.706	1.297	50	50	BDGA	
O=C(N/N=C/c1ccncc1)c1cccs1	43212	AJCXOEWEXNQDQK-MDWZMJQESA-N	231.280	1.907	50	50	BDGA	
CCOc1ccc(CC(=O)NN)cc1OCC	374045	GIIWXHQWSFDFDM-UHFFFAOYSA-N	238.287	1.016	50	50	BDGA	in-vitro
O=C(CCl)NCc1ccccc1F	9458211	XOVDAXFGBGURQF-UHFFFAOYSA-N	201.628	1.681	50	50	BDGA	in-vitro
CCCOc1ccc(C(F)(F)F)cc1B(O)O	169934194	PVXWTWSMVNMSTE-UHFFFAOYSA-N	248.009	1.174	50	50	BDGA	
Cc1ccc(NC(=O)NN(C)C)c(C)c1	2170960	XOTQALXWFAIVSC-UHFFFAOYSA-N	207.277	1.902	50	50	BDGA	
CCOC(=O)CC1(N=C=O)CCCCC1	6658078	BPIXVGKUMJMXFT-UHFFFAOYSA-N	211.261	1.978	50	50	BDGA	
Cc1cc(C(=O)CBr)n(C)n1	35269688	KVFFAPKXWKOIRP-UHFFFAOYSA-N	217.066	1.306	50	50	BDGA	
NN(CC1CCC1)C(=O)c1ccccc1	757132280	QBMDMWLXIPNWLS-UHFFFAOYSA-N	204.273	1.803	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H]1CC[C@@H](OC(F)F)C1	1875376490	YNDJQVUADBZHND-RRKCRQDMSA-N	241.665	1.890	50	50	BDGA	
C[C@@H]1C(N)=C(C#N)CN1Cc1ccccc1	34462277	POZVNJGZSIULOM-SNVBAGLBSA-N	213.284	1.627	50	50	BDGA	
CC[C@]1(C)COCC[C@@H]1NC(=O)CCl	1875375130	RTUQAHNWINDPQX-WCBMZHEXSA-N	219.712	1.547	50	50	BDGA	
O=C(NCCCl)Nc1ccc([N+](=O)[O-])cc1	19800794	ADJCDJWMICMEGL-UHFFFAOYSA-N	243.650	1.955	50	50	BDGA	
CC1(C)C=CC[C@@H]2C[C@H]2/C1=N\NC(N)=O	43761514	DTJKFXRRDPQKOC-YHXSJSOESA-N	207.277	1.633	50	50	BDGA	
CC(=O)N1CCC(CBr)CC1	19783764	VYMGDPNTLNUOHM-UHFFFAOYSA-N	220.110	1.640	50	50	BDGA	in-vitro
Cc1cc(Cl)ccc1OCC(=O)NN	153586	JXQVZCTYFYWQGN-UHFFFAOYSA-N	214.652	1.017	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)N[C@H]1CCCn2nccc21	1875366883	SODZLYICLYBLSV-SFYZADRCSA-N	227.695	1.462	50	50	BDGA	
OB(O)c1ccc(Cl)cc1C(F)(F)F	169743626	YAPBOBGBYQQYHX-UHFFFAOYSA-N	224.374	1.039	50	50	BDGA	
C=COC(=O)NCCC[Si](OC)(OC)OC	215868688	ABJBSCWBVKPQQP-UHFFFAOYSA-N	249.339	1.124	50	50	BDGA	
CC(C)COC(=O)N(N)CC(F)(F)F	757128570	RAVBWRZURZZEFF-UHFFFAOYSA-N	214.187	1.517	50	50	BDGA	
CC[C@@H](NC(=O)CCl)c1cocn1	1875378372	BFUWBVBBBQWAMP-ZCFIWIBFSA-N	202.641	1.481	50	50	BDGA	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Cl)OC2=O	2564005	PAXWODJTHKJQDZ-ZJUUUORDSA-N	216.664	1.874	50	50	BDGA	in-vitro
CCc1nnc(NC(=O)[C@H](C)Cl)s1	4079101	OTRRQPRHLHNAKR-BYPYZUCNSA-N	219.697	1.666	50	50	BDGA	in-vitro
O=C(NCCCl)Nc1ccccc1[N+](=O)[O-]	5717527	QHBHVBWQTQMIDZ-UHFFFAOYSA-N	243.650	1.955	50	50	BDGA	
CCCCCCCC(=O)NNc1cnnn1C	408517301	GAISMCATIWVOGE-UHFFFAOYSA-N	239.323	1.619	50	50	BDGA	
C[C@@H]1[C@@H](NC(=O)NC(=O)CCl)CCC[C@H]1C	238852865	HMBFDDSLYMRBIX-VGMNWLOBSA-N	246.738	1.876	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCCC[C@H]1c1ncon1	1875363525	HEIOAZZUEOCXMU-YUMQZZPRSA-N	243.694	1.751	50	50	BDGA	
CCN(CC)C(=O)N(N)c1ccc(F)cc1	757128548	QYILGOFDASBUIA-UHFFFAOYSA-N	225.267	1.968	50	50	BDGA	
CCN(CC)C(=O)[C@H]1CCCN1C(=O)CCl	1875364842	VMPWXPYDOBUJBI-SECBINFHSA-N	246.738	1.085	50	50	BDGA	
CC[C@H](Br)C(=O)N1CCCC1	32919624	WWXPVFHKDNSIJF-ZETCQYMHSA-N	220.110	1.782	50	50	BDGA	in-vitro
Cc1cc(C(=O)N/N=C\c2ccccc2O)[nH]n1	55028091	CESBSEAURWKLQQ-QPEQYQDCSA-N	244.254	1.188	50	50	BDGA	
Cc1ncc(CCNC(=O)[C@H](F)Cl)o1	1875362208	VXLLUQJQACAQHK-ZETCQYMHSA-N	220.631	1.176	50	50	BDGA	
O=C(Nc1ccn2ncnc2c1)[C@@H](F)Cl	2325901606	MXYNZVAYBIMUAP-SSDOTTSWSA-N	228.614	1.202	50	50	BDGA	
CCCOc1c(Cl)cc(B(O)O)cc1Cl	169747883	GXOBEFMWCPTAAN-UHFFFAOYSA-N	248.902	1.462	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)N(C)[C@H]1CN2CCC1CC2	307467975	LRIIVLRPBZSLAT-SCZZXKLOSA-N	230.739	1.166	50	50	BDGA	
CC[C@@H]1S[C@H](C)CC(=NNC(N)=O)[C@@H]1C	252678267	CXEKRAUJXURPPU-FJXKBIBVSA-N	229.349	1.951	50	50	BDGA	
CC(C)=NNC(=O)C(=O)N[C@@H](C)c1ccccc1	5008732	ACQQMNQWSWTDGS-JTQLQIEISA-N	247.298	1.376	50	50	BDGA	
O=C(NC[C@H]1CCCCS1)[C@@H](F)Cl	2325897968	OEOXXEGRSCETTP-RNFRBKRXSA-N	225.716	1.923	50	50	BDGA	
Cc1ccccc1C(=O)NNC(=O)c1ccco1	146464	WRASPBYPEUBXQS-UHFFFAOYSA-N	244.250	1.663	50	50	BDGA	
C[C@@H](Br)C(=O)NC1CCCC1	9304511	CBYZXYQNRGOWNF-ZCFIWIBFSA-N	220.110	1.829	50	50	BDGA	in-vitro
CCC(=O)NNC(=O)Cn1ccc2ccccc21	14775899	UQPQNNUNFSHRMW-UHFFFAOYSA-N	245.282	1.199	50	50	BDGA	
CCCCNC(=O)NNC(=O)c1ccoc1C	2089829	QBNHWRJVPACJGF-UHFFFAOYSA-N	239.275	1.332	50	50	BDGA	
Cc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1C	5941603	HANDSPXIBGRHAF-UHFFFAOYSA-N	230.271	1.297	50	50	BDGA	in-vitro
N#CC(=C=N)C1=CCC(=C(C#N)C#N)C=C1	136643506	ACZFTWPYSPHBNQ-UHFFFAOYSA-N	206.208	1.915	50	50	BDGA	
Cc1cc(OCc2ccccc2)cc(B(O)O)c1	169935253	BDGZZCFVEWEVJB-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	in-vitro
Cc1occc1C(=O)NNC(=O)C(C)(C)C	259680	UWAQIRJJZNJXIQ-UHFFFAOYSA-N	224.260	1.395	50	50	BDGA	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NN	6520843	PEDOUNVQNATQSS-YFKPBYRVSA-N	249.097	1.751	50	50	BDGA	
O=C(CCl)NCc1coc(Cl)n1	1875374538	VVDUUSRWXYISPW-UHFFFAOYSA-N	209.032	1.183	50	50	BDGA	
CN(C)c1ccc(/C=C(/C#N)C(N)=O)cc1	12368674	TVPUSDGUXXMGMH-YFHOEESVSA-N	215.256	1.145	50	50	BDGA	
C[C@H](SS[C@H](C)C(=O)O)C(=O)O	2527905	UTDRPUGFHHVEDG-ZXZARUISSA-N	210.276	1.314	50	50	BDGA	in-vitro
Cc1ccc(-c2cc(C(=O)NN)no2)cc1	25757114	NSPQHSQLLNCICM-UHFFFAOYSA-N	217.228	1.254	50	50	BDGA	
C=C(NNC=O)c1ccccc1Br	71765787	HOQCJRSBBUFFIV-UHFFFAOYSA-N	241.088	1.670	50	50	BDGA	
CC(C)OCC[C@H](C#N)NC(=O)[C@H](C)Cl	1875304075	YUSUNBAMLIGTJE-DTWKUNHWSA-N	232.711	1.437	50	50	BDGA	
C[C@@H](Cl)C(=O)c1ccc2[nH]c(=O)[nH]c2c1	11770362	WDHVJNJBNCUHOK-RXMQYKEDSA-N	224.647	1.666	50	50	BDGA	
OB(O)c1ccc2sc3ccccc3c2c1	169743811	CSLSCVHILGCSTE-UHFFFAOYSA-N	228.081	1.734	50	50	BDGA	
CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NN)c2C1	390033	WPAHESSOUBKEIY-SSDOTTSWSA-N	236.319	1.164	50	50	BDGA	in-vitro
CCNS(=O)(=O)c1ccc(N=C=S)cc1	16972691	XKOLBTBZTBGUOZ-UHFFFAOYSA-N	242.325	1.719	50	50	BDGA	
CCOC(=O)[C@H](Cl)C(=O)C(F)(F)F	4255741	YVWUNJVPOCYLIM-GSVOUGTGSA-N	218.558	1.288	50	50	BDGA	in-vitro
ClCCOCCOCCOCCCl	1671487	ZCFRYTWBXNQVOW-UHFFFAOYSA-N	231.119	1.514	50	50	BDGA	
O=C(CCl)N1CCc2ccccc2[C@@H](O)C1	1875376525	ZSZLRQSYICPVSG-NSHDSACASA-N	239.702	1.344	50	50	BDGA	
C/C(=C(\C#N)C(=O)NCc1ccccc1)N(C)C	435642	VMDJXOHKRLWQLK-QBFSEMIESA-N	243.310	1.662	50	50	BDGA	
Cc1ccc(/C=N/NC(=O)Cc2cccn2C)o1	13133176	YGSMHMFYLQNKQL-NTEUORMPSA-N	245.282	1.619	50	50	BDGA	
OB(O)c1ccc(C(F)(F)F)cc1Cl	169746898	JKSUCAFAUNSPLO-UHFFFAOYSA-N	224.374	1.039	50	50	BDGA	
CC(C)Oc1cc(B(O)O)ccc1C(F)(F)F	169964668	XSWWHVQQUGGXQP-UHFFFAOYSA-N	248.009	1.172	50	50	BDGA	
CN(C)NC(=O)[C@H]1CC[C@](C)(C(=O)O)C1(C)C	3158967	GEHRKPJONVTCMU-PRHODGIISA-N	242.319	1.106	50	50	BDGA	
C/C(C=O)=C\c1cc([N+](=O)[O-])ccc1O	34766238	LQDFBTPCHVCCFT-QPJJXVBHSA-N	207.185	1.903	50	50	BDGA	
CCc1nc(C)c(CNC(=O)CCl)o1	311701170	SACGYJGVVDEUEN-UHFFFAOYSA-N	216.668	1.400	50	50	BDGA	
C/C(C#N)=C\CN1CCN2CCCC[C@H]2C1	952992988	DRLGCCLFVUXWDV-YFTXEMMHSA-N	219.332	1.626	50	50	BDGA	
COC(=O)/C(C#N)=C\c1ccc(OC)cc1	42474	MCFCPVVFVXSZSK-YFHOEESVSA-N	217.224	1.775	50	50	BDGA	
O=C(O)CC(=O)N/N=C/C=C/c1ccccc1	3179136	FPOGNBCPPCPGEM-ZAUJTXRMSA-N	232.239	1.277	50	50	BDGA	
CC(C)(C)C(=O)OCI	2391848	PELJISAVHGXLAL-UHFFFAOYSA-N	242.056	1.968	50	50	BDGA	in-vitro
CCOC(=O)C1CCC(CN=C=O)CC1	34926266	BHCYPUQBNPFVFK-UHFFFAOYSA-N	211.261	1.692	50	50	BDGA	
O=C(N/N=C/c1ccncc1)c1cccc(F)c1	298695	GALXXNFMYLECOL-CXUHLZMHSA-N	243.241	1.985	50	50	BDGA	
NC(=O)[C@H](Cl)c1ccc2c(c1)OCO2	15020263	XZWISBHMAMTRHK-MRVPVSSYSA-N	213.620	1.181	50	50	BDGA	in-vitro
CSc1ccc(-c2ccc(B(O)O)cc2)cc1	169844725	XFMILVCZAHDOIM-UHFFFAOYSA-N	244.124	1.755	50	50	BDGA	
CC(C)c1ccc(OCC(=O)NN)cc1	586745	SGEKDXDLMYFJOF-UHFFFAOYSA-N	208.261	1.179	50	50	BDGA	in-vitro
COc1ccc(Br)c(C(=O)NN)c1	92215	NJRUOTORFKXSAI-UHFFFAOYSA-N	245.076	1.061	50	50	BDGA	in-vitro
CCOC(=O)N/N=C(\C)c1ccc(O)cc1O	4989807	KHDDSLGXIIAAAN-KPKJPENVSA-N	238.243	1.568	50	50	BDGA	
CC1CCN([C@H](C)c2ccc(B(O)O)cc2)CC1	230539447	LZQGFPBEYKEQOO-GFCCVEGCSA-N	247.147	1.159	50	50	BDGA	
O=C(CCl)NC[C@H]1OCc2ccccc21	1875367671	CCMUKYDKEQOVSK-SNVBAGLBSA-N	225.675	1.613	50	50	BDGA	
O=C(N/N=C/c1ccc(O)cc1)c1ccncc1	61587	MXEBNXXQDJLMTC-OQLLNIDSSA-N	241.250	1.551	50	50	BDGA	in-vitro
N#CCC(=O)N/N=C/c1ccc(Cl)cc1	1397992	UQLGQJKFIOJSPN-NTUHNPAUSA-N	221.647	1.704	50	50	BDGA	
NNC(=O)CSCc1ccccc1Cl	5583973	WJTBDJXQXJLGTA-UHFFFAOYSA-N	230.720	1.563	50	50	BDGA	
CC(C)(C)C(=O)NNC(=O)CCc1ccccc1	5726550	DUTHDKHMUQSYPS-UHFFFAOYSA-N	248.326	1.813	50	50	BDGA	
O=C(CBr)NCc1ccc(F)cc1	34017618	VNUCVEHCJZCMDP-UHFFFAOYSA-N	246.079	1.837	50	50	BDGA	
CC1(C)c2ccccc2-c2c(B(O)O)cccc21	222374118	YKCZGQXLXXMGNR-UHFFFAOYSA-N	238.095	1.673	50	50	BDGA	
O=C(NCc1ccccc1)[C@@H](F)Cl	140263081	UDTJJYOJNBIZJM-MRVPVSSYSA-N	201.628	1.837	50	50	BDGA	
COC(=O)[C@H](Cc1ccccc1)N=C=S	2528102	XIAZBEQOUOVUEY-JTQLQIEISA-N	221.281	1.874	50	50	BDGA	
CCC/C(CC(=O)OCC)=N\NC(=O)CC#N	5792024	NLFPHKBZRBYRFM-UKTHLTGXSA-N	239.275	1.126	50	50	BDGA	
Cc1cc(C)c(C)c(O[C@H](C)C(=O)NN)c1	6825460	ZBRQMSYPRRLAAZ-SNVBAGLBSA-N	222.288	1.369	50	50	BDGA	
Cn1cnc([N+](=O)[O-])c1CBr	114737691	HASKXMPCTDGSDH-UHFFFAOYSA-N	220.026	1.223	50	50	BDGA	
CCSc1nsc(NC(=O)CCl)n1	2510414	UEJSNOJZYZYAAE-UHFFFAOYSA-N	237.737	1.827	50	50	BDGA	
CN(C)c1ccc(NC(=O)CCl)cc1	3103953	QBAVKPASPOSURQ-UHFFFAOYSA-N	212.680	1.930	50	50	BDGA	
C[C@H](Cl)C(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	1875380565	SBWDXSSIOLUZHY-SRQGCSHVSA-N	227.691	1.026	50	50	BDGA	
Cc1ccccc1NCc1ccccc1B(O)O	380698539	WLVOCMANYICPSJ-UHFFFAOYSA-N	241.099	1.287	50	50	BDGA	
O=C(N/N=C/c1cnc2ccccc2n1)C1CC1	1000052	IEEXWZQRPJJOTN-OVCLIPMQSA-N	240.266	1.490	50	50	BDGA	
CC(C)C1=CC(=NNC(N)=O)C=C(C(C)C)C1=O	100815831	UTQUOTWUAAWMPM-UHFFFAOYSA-N	249.314	1.758	50	50	BDGA	
CC(=O)N/N=C/c1ccc(N(C)C)cc1Cl	3091514	BWALCIPZJYYMDM-NTUHNPAUSA-N	239.706	1.876	50	50	BDGA	
CC(C)Oc1cc(C(F)(F)F)ccc1B(O)O	169746752	IGJULKZGKYXWAR-UHFFFAOYSA-N	248.009	1.172	50	50	BDGA	
CC(=O)N/N=C(\C)c1ccc(-n2ccnc2)cc1	7946631	ZBGIGGKIKGSCBX-XNTDXEJSSA-N	242.282	1.732	50	50	BDGA	
OB(O)c1cc(Cl)cc(Cl)c1Cl	169747004	OPBCCRZCYTUJMS-UHFFFAOYSA-N	225.267	1.327	50	50	BDGA	in-man
COc1ccc(/C=C(\C#N)C(=O)O)cc1	156538	KMHNRJDDHTZZDZ-RMKNXTFCSA-N	203.197	1.687	50	50	BDGA	
Cc1ccc(C(C)C)cc1OCC(=O)NN	276157	LRYUYKCNODYMET-UHFFFAOYSA-N	222.288	1.487	50	50	BDGA	
COc1ccccc1NC(=O)NN(C)C	1561890	DDIFUBITYBLTNE-UHFFFAOYSA-N	209.249	1.293	50	50	BDGA	
OCCN(CCCl)Cc1ccccc1	50515520	JVAOFXAHHFBSMM-UHFFFAOYSA-N	213.708	1.720	50	50	BDGA	in-vitro
O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C[C@H]2C2=C1[C@H]1CC[C@H]2C1	254749842	WKFRPTFLKPBUEG-KTZHKNLRSA-N	230.263	1.678	50	50	BDGA	
O=C1OC(=O)[C@H]2CC3=C(CCCC3)C[C@H]12	101092765	LYUGLDYZQNPFGT-UWVGGRQHSA-N	206.241	1.967	50	50	BDGA	
CCO[C@@H](C)O[C@H](CCl)COC(C)=O	39409606	FEVMWAZUQCLBLI-RKDXNWHRSA-N	224.684	1.556	50	50	BDGA	
CC(=O)Nc1ccc(S(=O)(=O)CCl)cc1	45074610	KYECLOYRQLKHFU-UHFFFAOYSA-N	247.703	1.615	50	50	BDGA	
C[C@@H]1NC(=O)N(C(C)(C)C)C(=O)[C@H]1Cl	122369	CUHLYCUCQYKUPZ-WDSKDSINSA-N	218.684	1.333	50	50	BDGA	
CC[C@@H]1S[C@@H](C)CC(=NNC(N)=O)[C@@H]1C	252678268	CXEKRAUJXURPPU-ZKWXMUAHSA-N	229.349	1.951	50	50	BDGA	
NN(CC(F)(F)F)C(=O)c1ccccc1	757126455	FQWNPIKSSPOZDY-UHFFFAOYSA-N	218.178	1.565	50	50	BDGA	
O=C(CCl)Nc1nnc(C2CCC2)s1	4986675	JTFYPGWANGGREM-UHFFFAOYSA-N	231.708	1.983	50	50	BDGA	in-vitro
CCOC(=O)/C(C#N)=C/c1cccnc1	156791	BMMBXBIFKMYOLF-UXBLZVDNSA-N	202.213	1.552	50	50	BDGA	
BrC[C@@H](Br)[C@H]1CO1	101367064	ZSVKDSDYRMOCFH-QWWZWVQMSA-N	229.899	1.544	50	50	BDGA	
O=C(N/N=C/C1=CCCOC1)c1ccc(F)cc1	4771205	QRMMSGPCXYHFJL-OVCLIPMQSA-N	248.257	1.888	50	50	BDGA	
NC(=O)N/N=C1\C[C@@H]2CC[C@@H]3CC[C@@H]1[C@@H]23	230113720	ZIHBTTIOZKHGHZ-FIZSISHXSA-N	207.277	1.467	50	50	BDGA	
CN(Cc1cccc(B(O)O)c1)c1ccccc1	170000188	ZJQLMGRDWCNSQU-UHFFFAOYSA-N	241.099	1.003	50	50	BDGA	
Cc1nc(CN(C(=O)CCl)C(C)C)no1	1875369756	FTSDWRXNANWHSZ-UHFFFAOYSA-N	231.683	1.354	50	50	BDGA	
CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	1754163	YIMVRFAFPGMLJI-UXBLZVDNSA-N	207.189	1.065	50	50	BDGA	
N#C[C@@H](NC(=O)CCl)c1ccccc1	334330	FSWBYBLRLNZCGB-SECBINFHSA-N	208.648	1.606	50	50	BDGA	
O=C([C@H](F)Cl)N1CC[C@]2(CCSC2)C1	2325898285	ZHAPQCAEVOCYBA-CBAPKCEASA-N	237.727	1.876	50	50	BDGA	
CC1(C)C(=O)CC[C@H](Br)C1=O	252487975	IGCUNGVCGMUEKB-YFKPBYRVSA-N	219.078	1.708	50	50	BDGA	
Cc1cn(C)nc1C(=O)CBr	644154086	ITGWZQQPSFFVKE-UHFFFAOYSA-N	217.066	1.306	50	50	BDGA	
N#Cc1ccc2c(c1)CCN2C(=O)CCl	1875368115	RBWCPDBFAWOTSK-UHFFFAOYSA-N	220.659	1.686	50	50	BDGA	
O=C(CCl)N1CCCC[C@@H]([C@H]2CCOC2)C1	1334366064	XSARTPUNRMGTRD-MNOVXSKESA-N	245.750	1.890	50	50	BDGA	
O=C(Nc1ccn2ncnc2c1)[C@H](F)Cl	2325901607	MXYNZVAYBIMUAP-ZETCQYMHSA-N	228.614	1.202	50	50	BDGA	
N#CC(C#N)=C1CS(=O)(=O)c2ccccc21	339182	MIBIVAHVPBKGES-UHFFFAOYSA-N	230.248	1.275	50	50	BDGA	
C[C@@H](Br)C(=O)Br	2242574	ILLHORFDXDLILE-UWTATZPHSA-N	215.872	1.691	50	50	BDGA	
COc1ccccc1CN/C(C)=C(\C#N)C(N)=O	22078814	JJYKCLVTOGLOIF-PKNBQFBNSA-N	245.282	1.068	50	50	BDGA	
C[C@@H](Cl)C(=O)NCCCOC1CCOCC1	1875364466	RHUQCGYOOCIMDU-SECBINFHSA-N	249.738	1.316	50	50	BDGA	
COC(=O)/C(C#N)=C/c1cc(C)c(C)o1	2144069	IKEFIMDEZWDGSR-WEVVVXLNSA-N	205.213	1.976	50	50	BDGA	
O=C(CCl)N(CC(F)(F)F)[C@@H]1CCOC1	1875364733	RZISRIXHFYLCRC-ZCFIWIBFSA-N	245.628	1.405	50	50	BDGA	
CS(=O)(=O)Nc1cccc(CCl)c1	2547922	WLYKULGSHTZUOM-UHFFFAOYSA-N	219.693	1.797	50	50	BDGA	in-vitro
Cc1cccc(O[C@@H](C)C(=O)NN)c1C	3886707	WQFXBBZYJNZLJS-VIFPVBQESA-N	208.261	1.061	50	50	BDGA	in-vitro
O=C(O)C(Br)Br	4521378	SIEILFNCEFEENQ-UHFFFAOYSA-N	217.844	1.187	50	50	BDGA	biogenic,in-vitro
C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)OC1=O	32098807	ICAVRDITSQWMAM-ZCFIWIBFSA-N	229.232	1.536	50	50	BDGA	in-vitro
Cc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	2167550	MNHGSNFYMSLFTE-UHFFFAOYSA-N	234.299	1.802	50	50	BDGA	
C[C@@H](Cl)C(=O)c1cccc(C(=O)O)n1	169794968	DUXXDISKTZHATN-RXMQYKEDSA-N	213.620	1.590	50	50	BDGA	
O=C1OC(=O)[C@]23CC=CC[C@@]12CCCC3	101042088	IHHGPJMNFQMSLY-VXGBXAGGSA-N	206.241	1.967	50	50	BDGA	
Cc1cc(C(=O)N/N=C/c2ccc[nH]2)no1	373129	FNJJJDZORXBLNA-WUXMJOGZSA-N	218.216	1.075	50	50	BDGA	
O=C(NC[C@@H]1CCCCS1)[C@H](F)Cl	2325897966	OEOXXEGRSCETTP-BQBZGAKWSA-N	225.716	1.923	50	50	BDGA	
NNC(=O)c1ccccc1C(F)(F)F	153347	NTWTYYSQPAYEAE-UHFFFAOYSA-N	204.151	1.309	50	50	BDGA	in-vitro
CC(C)c1cc(Br)cc(B(O)O)c1	169951645	DNQVEISBEIMQOG-UHFFFAOYSA-N	242.909	1.252	50	50	BDGA	
Cc1ccc(F)cc1NNC(=O)[C@@H]1O[C@H]1C	2325804889	AJTLPVVGYOYOOJ-OIBJUYFYSA-N	224.235	1.365	50	50	BDGA	
Cc1cc(C)n(Cc2ccc(C(=O)NN)cc2)n1	2537718	NKOZXSZCXDVHHR-UHFFFAOYSA-N	244.298	1.152	50	50	BDGA	
CCO[C@@H](C)O[C@@H](CCl)COC(C)=O	39409610	FEVMWAZUQCLBLI-BDAKNGLRSA-N	224.684	1.556	50	50	BDGA	
OB(O)c1cc2cc(Cl)ccc2s1	169925458	YNTMDEYDNLWCLF-UHFFFAOYSA-N	212.466	1.235	50	50	BDGA	in-vitro
CC(C)c1ccc(NC(=S)NNC=O)cc1	5944966	NXPXTKRUWDNGOX-UHFFFAOYSA-N	237.328	1.757	50	50	BDGA	
OCCN(CCBr)c1ccccc1	1596931	VFGZIEDOUZIXJM-UHFFFAOYSA-N	244.132	1.880	50	50	BDGA	
COc1ccc(C(=O)OC[C@@H](O)CCl)cc1	68591971	YEXAZFVNRQKMHP-VIFPVBQESA-N	244.674	1.452	50	50	BDGA	
CCOc1ccc(C(C)(C)C)cc1B(O)O	169933968	AYLPSEIACDGNHG-UHFFFAOYSA-N	222.093	1.063	50	50	BDGA	
Nc1nnc(CCBr)s1	6780279	NFEHPVBUGOVFFO-UHFFFAOYSA-N	208.084	1.058	50	50	BDGA	
OB(O)c1cccc(SCc2ccccc2)c1	169746253	RVFUWXHBQUHFJW-UHFFFAOYSA-N	244.124	1.659	50	50	BDGA	in-vitro
CCCCOc1c(F)c(C)cc(B(O)O)c1F	169955585	BWJVKSCSCMDKKR-UHFFFAOYSA-N	244.046	1.132	50	50	BDGA	
CC1(C)OB(c2cccc(N=C=O)c2)OC1(C)C	169747232	VSAATWKRRDGVOD-UHFFFAOYSA-N	245.087	1.953	50	50	BDGA	in-vitro
COC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	491935	BOHLDNPMHREUCY-UXBLZVDNSA-N	223.188	1.285	50	50	BDGA	
CC(=O)OCCSSCCOC(C)=O	1568750	GGZSQJBFBQOEOJ-UHFFFAOYSA-N	238.330	1.494	50	50	BDGA	
Cc1cc(C(=O)NN)c2cccc(C)c2n1	6318433	HWYAJANQOLSDLH-UHFFFAOYSA-N	215.256	1.455	50	50	BDGA	
O=C1[C@H]2[C@H](Br)[C@H]3O[C@H]4[C@H]2C=C[C@H]4[C@@H]13	257359103	YMKSLXXFCXAQRL-PJRAKUAJSA-N	241.084	1.148	50	50	BDGA	
CCCC(=O)c1ccc(Cl)c(B(O)O)c1	169934744	ZLBSPVXBBYSRJS-UHFFFAOYSA-N	226.468	1.003	50	50	BDGA	
O=C(CCl)c1ccc2[nH]c(=O)oc2c1	90495831	KOOWFDRPKXUCRF-UHFFFAOYSA-N	211.604	1.543	50	50	BDGA	in-vitro
C[C@@H](Cl)C(=O)N(C)Cc1ccnn1C	689519304	JNFFUAMIWUNOGC-SSDOTTSWSA-N	215.684	1.006	50	50	BDGA	
CCOc1cc(/C=C(/C#N)C(N)=S)ccc1O	13371783	AYMXJXDLIQTOGF-UITAMQMPSA-N	248.307	1.984	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCO[C@](C)(C(F)F)C1	698783575	VWOXWSZEQCGPSK-MUWHJKNJSA-N	241.665	1.496	50	50	BDGA	
BrCCn1nnc2ccccc21	5520384	PTYVNIAAGXTKBQ-UHFFFAOYSA-N	226.077	1.826	50	50	BDGA	
O=C(Cl)[C@@H]1CC(=O)N(Cc2ccccc2)C1	33434536	XMTRVDUUKLHFMW-SNVBAGLBSA-N	237.686	1.801	50	50	BDGA	
CC1(C)CCc2cc(CC(=O)NN)ccc2O1	242687482	UIHHUSDGGRJBTB-UHFFFAOYSA-N	234.299	1.323	50	50	BDGA	
CCOC(=O)[C@H](F)I	4255779	HEEACDPQRCJXKT-GSVOUGTGSA-N	231.992	1.280	50	50	BDGA	in-vitro
CC(C)(CCl)C(=O)N1CC(O)(C(F)F)C1	1875284459	VDWVPCYYELZITA-UHFFFAOYSA-N	241.665	1.090	50	50	BDGA	
CC1(C)CC(=O)CC(C)(C)N1C(=O)CCl	9738185	XTCZSUBKOLIPDK-UHFFFAOYSA-N	231.723	1.974	50	50	BDGA	
O=C(CCl)N(CCCl)CCCl	101368525	GVGNYGPROZEDNN-UHFFFAOYSA-N	218.511	1.531	50	50	BDGA	
O=C(CCl)Nc1cccc2nc(O)oc12	1875368811	ADJOBDOULSQZBC-UHFFFAOYSA-N	226.619	1.711	50	50	BDGA	
O=C(CCl)N1C[C@H]2C[C@H]1C(F)(F)C2	1875368866	BEZXEILKXKLJCZ-WDSKDSINSA-N	209.623	1.481	50	50	BDGA	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)[C@H](C)Cl)[C@@H]1[C@H]3C2	394278155	CIRZKWZVSXVPPY-ALMWHKAHSA-N	243.734	1.496	50	50	BDGA	
O=C(CCl)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	1119556210	XHOAHZXQDVAFMI-MVWJERBFSA-N	221.687	1.680	50	50	BDGA	
CC1(C)CC(=O)N(CCCCl)C(=O)C1	61828102	XVYXNMFTOHUWMP-UHFFFAOYSA-N	217.696	1.791	50	50	BDGA	
OB(O)c1ccccc1OCc1ccc(F)cc1	169877271	HVUHMAMWPTUWSC-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	in-vitro
O=C(CCl)N[C@@H](C1CC1)[C@@H]1CCCOC1	723750019	ASCYPIGNZBHREP-KOLCDFICSA-N	231.723	1.547	50	50	BDGA	
N#C/C(=C/c1ccncc1Cl)C(N)=O	1772572645	IKDUTZRJZDNIMG-CLTKARDFSA-N	207.620	1.127	50	50	BDGA	
CCOC(=O)/C(C#N)=C/c1nc(C)cs1	4542628	LLPZXVSZXFBMHW-XBXARRHUSA-N	222.269	1.922	50	50	BDGA	
O=C1C2=C(SCCS2)C(=O)N1CCl	3130403	GXVDIHRFPIOIDF-UHFFFAOYSA-N	235.717	1.243	50	50	BDGA	
CC[C@H](Oc1cc(C)ccc1Cl)C(=O)NN	6596263	ZZXYXBWECVZXOJ-VIFPVBQESA-N	242.706	1.796	50	50	BDGA	
CCOC(=O)C(C)(C)C(=O)CBr	39304913	XHIXCENTXGJBFA-UHFFFAOYSA-N	237.093	1.540	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@]1(C)CCO[C@H](C)C1	1875376393	VLFCWLVJPLGIQG-WEDXCCLWSA-N	219.712	1.688	50	50	BDGA	
CC(C)(C)OC(=O)NNC[C@@H]1CCOC1	5838145	RIWWGPKTYAHFGC-QMMMGPOBSA-N	216.281	1.052	50	50	BDGA	
C[C@@H]1[C@@H](c2ccccc2)NCC[C@@]1(O)C#N	229931967	XGKYKJBSKOHGSD-KGYLQXTDSA-N	216.284	1.612	50	50	BDGA	
C[C@@H]1[C@H](NC(=O)CCl)CC[C@@H](CO)C1(C)C	1875376882	LWLUERZXEHOCLO-KXUCPTDWSA-N	247.766	1.775	50	50	BDGA	
O=C1C[C@@H](c2ccc(Cl)cc2)C(=O)O1	100494480	JKYPBYBOZSIRFW-QMMMGPOBSA-N	210.616	1.897	50	50	BDGA	in-vitro
COC(=O)/C(C#N)=C/c1ccncc1F	4541986	DLMSOYGLBVLYQH-XBXARRHUSA-N	206.176	1.301	50	50	BDGA	
Cc1ccccc1C(=O)NNC(=O)C1CC1	512408	DZPVJTBATZVZDF-UHFFFAOYSA-N	218.256	1.166	50	50	BDGA	
OB(O)c1cccc2oc3ccc(Cl)cc3c12	1987974904	BNDMNTXHMHALHM-UHFFFAOYSA-N	246.458	1.919	50	50	BDGA	
Cc1cccc(-c2nsc(C(=O)NN)n2)c1	725346707	WFVDZLRSRJNLFC-UHFFFAOYSA-N	234.284	1.117	50	50	BDGA	
C[C@@H](O)CN(C(=O)CCl)C1CCCCC1	1875381438	VCYVGULBMBADLA-SECBINFHSA-N	233.739	1.767	50	50	BDGA	
C[C@H](Cl)C(=O)NCCN1CCCCCC1=O	1875364083	ICKFIEMLCKAXCN-VIFPVBQESA-N	246.738	1.133	50	50	BDGA	
COc1cccc(CN(C)C(=O)CCl)n1	1875366470	MIMOTNFTNLUEAR-UHFFFAOYSA-N	228.679	1.287	50	50	BDGA	
N#C/C(=C\c1ccc(Cl)cc1)C(N)=O	143896	CXTSJKVCXQOGCX-VMPITWQZSA-N	206.632	1.732	50	50	BDGA	
O=C(CCl)N1CCn2c1nc1ccccc12	20534064	LTYJTSKIHJVIKQ-UHFFFAOYSA-N	235.674	1.622	50	50	BDGA	
CC1(C)C(=O)CC[C@@H](Br)C1=O	252487974	IGCUNGVCGMUEKB-RXMQYKEDSA-N	219.078	1.708	50	50	BDGA	
CCc1noc(CC)c1CNC(=O)CCl	1875364305	NMYCJKNSDACTCD-UHFFFAOYSA-N	230.695	1.654	50	50	BDGA	
CC(C)n1cnnc1CN(C)C(=O)[C@H](F)Cl	2325897675	DGSXPXOEYDWKRF-QMMMGPOBSA-N	248.689	1.352	50	50	BDGA	
C#C[C@@H](NC(=O)CCl)c1ccc(F)cc1	1875375289	XKICDQVAOODDSX-SNVBAGLBSA-N	225.650	1.855	50	50	BDGA	
C[C@@H](Cl)C(=O)NCc1ccc2cc[nH]c2n1	1875378049	UVNPQCSROXOJJJ-SSDOTTSWSA-N	237.690	1.806	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCOC[C@@H]1C(F)(F)F	1875364283	NBWPIQSTOYXJBF-NTSWFWBYSA-N	245.628	1.403	50	50	BDGA	
CCO[Si](CCC#N)(OCC)OCC	169746887	GBQYMXVQHATSCC-UHFFFAOYSA-N	217.341	1.948	50	50	BDGA	in-vitro
COC(=O)/C(C#N)=C/c1ccc(OC)cc1	42473	MCFCPVVFVXSZSK-JXMROGBWSA-N	217.224	1.775	50	50	BDGA	in-vitro
CCOC(=O)C(=O)CCCCCCl	21300205	YJJLIIMRHGRCFM-UHFFFAOYSA-N	206.669	1.918	50	50	BDGA	in-vitro
Cn1nnc2ccc(NC(=O)[C@@H](F)Cl)cc21	2325901562	KTXDWQBALBCBSV-MRVPVSSYSA-N	242.641	1.441	50	50	BDGA	
C[C@@](O)(C(=O)NN=C1CCCC1)c1ccccc1	272301	FJMQLQSNYOAVBT-AWEZNQCLSA-N	246.310	1.940	50	50	BDGA	
CCOC(=O)/C(C#N)=C/c1cccc(O)c1	149325	BXOFYZLSAUJUQJ-UXBLZVDNSA-N	217.224	1.862	50	50	BDGA	
C[C@]1(Cl)CS(=O)(=O)C[C@H]1Cl	3123301	KFEUDNGJWWGRTJ-UHNVWZDZSA-N	203.090	1.020	50	50	BDGA	
Cc1ccccc1C(=O)NNC(=O)C(C)(C)C	146450	BWCDYUHFHOSSKH-UHFFFAOYSA-N	234.299	1.802	50	50	BDGA	
CCOC(=O)CC(=O)O[Si](C)(C)C	170154818	PVXMKQLVICGFSI-UHFFFAOYSA-N	204.298	1.318	50	50	BDGA	
OB(O)c1ccc(F)c(OCc2ccccc2)c1	169747910	QDKHJFAOVBXUDN-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	in-vitro
CC(=O)Nc1ccc(S(=O)(=O)S)cc1	11550997	HJDVDBTZRIXMQQ-UHFFFAOYSA-N	231.298	1.264	50	50	BDGA	
CO[Si](CNc1ccccc1)(OC)OC	169747790	VNBLTKHUCJLFSB-UHFFFAOYSA-N	227.336	1.516	50	50	BDGA	
O=C(CBr)c1ccc(Cl)nn1	138877323	NJUDUAHNKPDSCV-UHFFFAOYSA-N	235.468	1.708	50	50	BDGA	
O=C(Cl)[C@@H]1CC(=O)N(C2CCCCC2)C1	33434072	FIATYLCSWNRCGP-MRVPVSSYSA-N	229.707	1.933	50	50	BDGA	
O=CC1=C(O)c2ccccc2OCC1=O	71773391	PHYMIRJJHZIWRN-UHFFFAOYSA-N	204.181	1.116	50	50	BDGA	
CCCOc1cc(B(O)O)c(Cl)cc1Cl	169934395	IGWAPOTUMUZOAX-UHFFFAOYSA-N	248.902	1.462	50	50	BDGA	in-vitro
Cc1ccc(OCc2ccccc2)cc1B(O)O	169955499	PHZUZAMBWZEFSP-UHFFFAOYSA-N	242.083	1.254	50	50	BDGA	
CCCCCCNCc1ccccc1B(O)O	863889196	UVOOEQCQCHUGPA-UHFFFAOYSA-N	235.136	1.036	50	50	BDGA	
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]1CO	169834124	GQXMFAIYVGQEJP-DTWKUNHWSA-N	218.369	1.768	50	50	BDGA	
CCCC/C(C)=N\NC(=O)C(=O)NC(C)C	5008758	GBRQREUYTDKQJA-LCYFTJDESA-N	227.308	1.193	50	50	BDGA	
N#CC(C#N)=CNc1ccc([N+](=O)[O-])cc1	4990460	DSRSMDNLVOYORH-UHFFFAOYSA-N	214.184	1.938	50	50	BDGA	
CCO[C@H](C)O[C@@H](CCl)COC(C)=O	39409612	FEVMWAZUQCLBLI-IUCAKERBSA-N	224.684	1.556	50	50	BDGA	
Cc1ccn(C[C@H](C)CNC(=O)CCl)n1	1875379898	ZESOTADCWXJGPJ-MRVPVSSYSA-N	229.711	1.183	50	50	BDGA	
CN(C)/C=C/C=C(\C#N)C(=O)C(F)(F)F	95705119	QEBYTZVFLQLFRY-HJIKTHEYSA-N	218.178	1.643	50	50	BDGA	in-vitro
CC(C)(C)Oc1ccc(B(O)O)c(Cl)c1	169951693	JSHWQJRSYIOVJN-UHFFFAOYSA-N	228.484	1.197	50	50	BDGA	
CCOC(=O)/C(C#N)=C/c1ccc(O)cc1O	297349	WSGFIWLPAXMNQR-WEVVVXLNSA-N	233.223	1.568	50	50	BDGA	
CCOC(=O)C/C(C)=N/NC(=O)c1ccncc1	5315327	KQYAFKZHQIMQMF-NTEUORMPSA-N	249.270	1.141	50	50	BDGA	
COC(=O)c1ccc(CBr)nc1	39278973	IRQSKJQDKUAART-UHFFFAOYSA-N	230.061	1.763	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)N1CCCC[C@@H]1c1ncon1	1875363523	HEIOAZZUEOCXMU-JGVFFNPUSA-N	243.694	1.751	50	50	BDGA	
Cc1nnsc1[C@H](C)NC(=O)[C@@H](F)Cl	2325898696	VJSVCEHWQGOWSG-BBIVZNJYSA-N	237.687	1.558	50	50	BDGA	
CCOC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	121514	RYGTWDAUOUMNRA-BJMVGYQFSA-N	245.234	1.885	50	50	BDGA	
O=C(N/N=C/c1cccnc1)c1cccc(F)c1	298788	MJSMRKKPXLTIIJ-CXUHLZMHSA-N	243.241	1.985	50	50	BDGA	
NNC(=O)c1cc(-c2ccc(F)cc2)on1	25757190	FANDPJDQVOQOBO-UHFFFAOYSA-N	221.191	1.084	50	50	BDGA	in-vitro
Cn1cc(Cl)c(C(=O)CBr)n1	606241700	FEHFXWYHFBJPRR-UHFFFAOYSA-N	237.484	1.651	50	50	BDGA	
O=C(NNC(=O)c1cccs1)c1ccccc1	290799	RZGPCBWJMYHLET-UHFFFAOYSA-N	246.291	1.823	50	50	BDGA	
O=S(=O)(CCl)Cc1ccccc1	1641239	DQOOIGWCYGESQG-UHFFFAOYSA-N	204.678	1.798	50	50	BDGA	
CCNC(=S)NNC(=O)c1sccc1C	6939184	GLNKQEBJUYASRC-UHFFFAOYSA-N	243.357	1.185	50	50	BDGA	
C[C@H](Cl)C(=O)NCC12CC(C)(CO1)C2	1875367295	ORFYISBACBBUFT-WFRXLMHJSA-N	217.696	1.299	50	50	BDGA	
O=C(CCl)N1C[C@H]2CCC(F)(F)[C@H]2C1	409428341	MFNDBLHLLINLTN-RQJHMYQMSA-N	223.650	1.729	50	50	BDGA	
N#CCC(=O)N/N=C/c1c[nH]c2ccccc12	236157	NDKPKOACXIITRW-OVCLIPMQSA-N	226.239	1.532	50	50	BDGA	
N#CC(C#N)=C1C=CC(=C(C#N)C#N)C[CH-]1	104203593	NFIQIXWYDLCKFX-UHFFFAOYSA-N	205.200	1.838	50	50	BDGA	
CN(Cc1cn(C2CC2)cn1)C(=O)CCl	1875374370	MIMZEPYYPWENIU-UHFFFAOYSA-N	227.695	1.415	50	50	BDGA	
O=C(CCl)Nc1ccccc1[N+](=O)[O-]	4064729	XXWVCPLQFJVURO-UHFFFAOYSA-N	214.608	1.772	50	50	BDGA	in-vitro
NC(=O)c1ccc2[nH]c(CCl)cc(=O)c2c1	8703733	WOPQBASOFVWSAO-UHFFFAOYSA-N	236.658	1.366	50	50	BDGA	
COc1cc(C(=O)CBr)ccc1O	34085840	SDTPFVAZAREICN-UHFFFAOYSA-N	245.072	1.978	50	50	BDGA	
Cc1nc(CNC(=O)CCl)c2ccccn12	1875367699	FRPOSBVFKFUFNK-UHFFFAOYSA-N	237.690	1.498	50	50	BDGA	
N#CC1(c2ccccc2)CC(NC(=O)CCl)C1	1875378320	ZSKXUARSAOUKNP-UHFFFAOYSA-N	248.713	1.965	50	50	BDGA	
CC1=C[C@@H](O)N2C(=C1C#N)Nc1ccccc12	1857526923	OVBWQYFVCXQJHI-GFCCVEGCSA-N	225.251	1.932	50	50	BDGA	
N#CC1=C(N)SC(N)=C(C#N)C1C1CC1	22870900	CGCWBNZETTXKED-UHFFFAOYSA-N	218.285	1.147	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@H]1CCCOCC1	306579794	XTVWUPGIDGCUPW-SFYZADRCSA-N	205.685	1.299	50	50	BDGA	
O=S(=O)(c1ccccc1)[N@@]1C[C@H]1CCl	1857525293	SQTMFYHGMHORHJ-KCJUWKMLSA-N	231.704	1.298	50	50	BDGA	
C/C(=N/NC(=O)c1ccncc1)c1ccccn1	4992111	FVEHSUOXXBHVHF-YBEGLDIGSA-N	240.266	1.631	50	50	BDGA	
COC[C@H](Br)C(F)(F)F	8698368	FYSQBSZARDNGLE-VKHMYHEASA-N	206.989	1.959	50	50	BDGA	biogenic,in-vitro
O=C(Cl)[C@@H]1CC(=O)N(c2ccccc2)C1	22124412	SYAZZCRPLFGGHI-MRVPVSSYSA-N	223.659	1.805	50	50	BDGA	in-vitro
NNC(=O)Cc1ccc(-c2ccccc2)cc1	2572837	MLSJQOUEHHYKAD-UHFFFAOYSA-N	226.279	1.886	50	50	BDGA	in-vitro
CCOC(=O)NNCc1cccc(N)c1	33640952	FVAJQWPAZVEUNI-UHFFFAOYSA-N	209.249	1.020	50	50	BDGA	
OB(O)c1ccc(Cl)c(C(F)(F)F)c1	169747052	XHKNQBNGLMOTDB-UHFFFAOYSA-N	224.374	1.039	50	50	BDGA	in-vitro
O=C(CCCl)Nc1ccccc1C(=O)O	21003404	UGDQCTQWAUVEHR-UHFFFAOYSA-N	227.647	1.952	50	50	BDGA	in-vitro
CSc1nn2c(=O)cc(CCl)nc2s1	8728831	LWAQHHBMLMGDKV-UHFFFAOYSA-N	247.732	1.612	50	50	BDGA	
OB(O)c1ccc(SC2CCCC2)cc1	169844737	IFVIXXGONOTAIO-UHFFFAOYSA-N	222.118	1.401	50	50	BDGA	in-vitro
O=C(N/N=C/c1ccccc1)c1ccncc1	32467	UFMAHOLDSCSFMC-XNTDXEJSSA-N	225.251	1.846	50	50	BDGA	
CC(C)Oc1ccc(C(C)(C)C)cc1B(O)O	170001909	SQXPMPYFBCAGNG-UHFFFAOYSA-N	236.120	1.451	50	50	BDGA	
O=C(CCl)N1CCCSC1=S	725376438	WWGRCEQHRQYYSH-UHFFFAOYSA-N	209.723	1.476	50	50	BDGA	
O=C(CCl)N1c2ccccc2C[C@H]1CO	1875368074	OJUZXTXVACQKMV-VIFPVBQESA-N	225.675	1.175	50	50	BDGA	
CC(C)[C@H]1C[C@H](CNC(=O)CCl)CCO1	1875375328	ZQEZYGMMKFSLLM-NXEZZACHSA-N	233.739	1.793	50	50	BDGA	
O=C(N/N=C/c1ccco1)c1ccccc1O	59581	UFRXXSYMUOQOKX-MDWZMJQESA-N	230.223	1.749	50	50	BDGA	
COC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])s1	301493	ALYLIEMYAOKHTD-GQCTYLIASA-N	238.224	1.736	50	50	BDGA	
NC(=O)c1cccc(CBr)c1	32170517	ORRDZVRYRNYLMB-UHFFFAOYSA-N	214.062	1.680	50	50	BDGA	in-vitro
O=C(Cl)[C@@H](O)c1ccc(F)cc1F	263622981	CPMWVJYVNGFUHL-ZETCQYMHSA-N	206.575	1.764	50	50	BDGA	
O=C([C@@H]1CCCSS1)N1CCOCC1	1875388185	PRJYTFHGEAXSBL-QMMMGPOBSA-N	233.358	1.389	50	50	BDGA	
COC(=O)c1ccoc1CBr	165944	SOPVGIIHUGGHGO-UHFFFAOYSA-N	219.034	1.961	50	50	BDGA	in-vitro
CCO[Si](CCCCN)(OCC)OCC	195764287	SWDDLRSGGCWDPH-UHFFFAOYSA-N	235.400	1.774	50	50	BDGA	
C[C@H](Cl)C(=O)N(C)CC[C@H]1CCCCN1C	1875364079	HWOALUHDXUPLSL-WDEREUQCSA-N	246.782	1.947	50	50	BDGA	
OB(O)c1cc(F)cc(C(F)(F)F)c1Cl	642814806	YBPUHOKTPNETHW-UHFFFAOYSA-N	242.364	1.178	50	50	BDGA	
O=C(N/N=C/c1ccncc1)c1ccccn1	61887	FTZLTODDAJZVQA-OQLLNIDSSA-N	226.239	1.241	50	50	BDGA	
N#CC1=C(S)NC(=O)[C@H](C#N)C12CCCCC2	8972872	YQJCLTNVDXLQLO-QMMMGPOBSA-N	247.323	1.871	50	50	BDGA	
Cc1cccc2c1C[C@@H](NC(=O)CCl)CO2	1118920733	UQHWLEIWLLPQNN-SECBINFHSA-N	239.702	1.654	50	50	BDGA	
BrCCOc1cccnc1	70184789	CZDNYGNWQNMKBZ-UHFFFAOYSA-N	202.051	1.855	50	50	BDGA	in-vitro
Cc1cc(CC(=O)NNc2cccc(F)c2)n[nH]1	154724226	YMKVBSDITQQKOS-UHFFFAOYSA-N	248.261	1.543	50	50	BDGA	
O=C1[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12	245227105	AMHCEXBDUDDEPZ-OQZMZCNCSA-N	239.112	1.707	50	50	BDGA	
Cc1cc(C[C@H](C)NC(=O)CCl)n[nH]1	1319922174	XQMGCIULKSDNEE-LURJTMIESA-N	215.684	1.004	50	50	BDGA	
Cc1ncc(C(=O)NCC(Cl)Cl)c(C)n1	253417273	CBSNDFVYJIDKOL-UHFFFAOYSA-N	248.113	1.627	50	50	BDGA	
Cc1cccc(C[C@H]2CC(=O)OC2=O)c1	100405830	HVWAUPAYQGFPOU-JTQLQIEISA-N	204.225	1.627	50	50	BDGA	
C[C@H](Br)[C@H](Br)C(=O)O	1693330	HESQKTULJLBDRF-HRFVKAFMSA-N	245.898	1.618	50	50	BDGA	biogenic
COC(=O)N(C)NC(=O)Nc1ccc(C)s1	242178848	XBJBOIQILLLBKT-UHFFFAOYSA-N	243.288	1.791	50	50	BDGA	
Cc1cccc2nc(CCl)cc(=O)n12	265965	NZFZSMAXDGYHRH-UHFFFAOYSA-N	208.648	1.742	50	50	BDGA	in-vitro
NNC(=O)c1ccccc1C#Cc1ccccc1	333991	IWWQGRWPBVKBAO-UHFFFAOYSA-N	236.274	1.690	50	50	BDGA	
CC(C)Cc1ccc([C@@H](C)C(=O)NN)cc1	112866	JVDPFQDYGHWBBX-SNVBAGLBSA-N	220.316	1.979	50	50	BDGA	
COc1cccc(C=C(C#N)C#N)c1O	395975	FLKSNFNDQCADDI-UHFFFAOYSA-N	200.197	1.831	50	50	BDGA	
ClC(C[n+]1ccccc1)C[n+]1ccccc1	500525	VIBHSBOGNXPXHX-UHFFFAOYSA-N	234.730	1.569	50	50	BDGA	
CC(C)n1cnnc1CN(C)C(=O)[C@@H](F)Cl	2325897674	DGSXPXOEYDWKRF-MRVPVSSYSA-N	248.689	1.352	50	50	BDGA	
C[C@H]1CN(C(=O)[C@H](F)Cl)c2ccnn2C1	2325901411	DWMQIURUSDZPKE-XPUUQOCRSA-N	231.658	1.400	50	50	BDGA	
COc1ccc(CC(=O)CC(=O)Cl)cc1	263625094	WSAVNCIUGSUQCI-UHFFFAOYSA-N	226.659	1.962	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCC2(CC1)OCCCO2	1875378244	XZHQLFAXVIHUKE-VIFPVBQESA-N	247.722	1.369	50	50	BDGA	
CN(C)NC(=O)Nc1cccc(Cl)c1	1227424	XSYISUBRXDYJMI-UHFFFAOYSA-N	213.668	1.938	50	50	BDGA	
O=C(Cl)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Cl	100507502	KANQIAARVSWKKG-XZBKPIIZSA-N	219.067	1.956	50	50	BDGA	
CCC[C@@H](Cl)S(=O)(=O)N1CCOCC1	336376	VZAKXPODXDPZME-QMMMGPOBSA-N	241.740	1.013	50	50	BDGA	
C[C@@H]1C/C(=N/NC(N)=O)[C@@H](C)[C@@H](C)S1	105196045	DHPOGONLJWVUIH-ZULXYMQFSA-N	215.322	1.561	50	50	BDGA	
O=C(CCl)N[C@H](C(=O)O)c1ccccc1	334341	YZOSWXATEQPYKN-VIFPVBQESA-N	227.647	1.167	50	50	BDGA	
CN(C)C1(CNC(=O)C(C)(C)CCl)CC1	397971117	HYFZMANSVUMVKV-UHFFFAOYSA-N	232.755	1.462	50	50	BDGA	
COc1ccc(OC)c(/C=C(\C#N)C(N)=S)c1	238425	WWBAZAYNNOWGBI-WEVVVXLNSA-N	248.307	1.897	50	50	BDGA	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C#N)C1	100132942	ZVWLCTCSBSNDIR-LLVKDONJSA-N	226.276	1.272	50	50	BDGA	in-vitro
FC(F)(F)COCCBr	19414162	NNHQFVBLRGDVTN-UHFFFAOYSA-N	206.989	1.960	50	50	BDGA	in-vitro
O=C1c2ccccc2C(=O)N1OCCCCl	2166694	MPNISWZNSIYENI-UHFFFAOYSA-N	239.658	1.843	50	50	BDGA	
CC[C@@H](CO)NC1=C(C#N)C(=O)CC(C)(C)C1	100507204	BMTBIFVTRMPZSN-VIFPVBQESA-N	236.315	1.514	50	50	BDGA	
Cc1nccc(C2(NC(=O)CCl)CC2)n1	1875374164	CZCIZSIGOZFKGL-UHFFFAOYSA-N	225.679	1.129	50	50	BDGA	
CCOC(=O)C(=O)/C(C#N)=C/Nc1ccccc1	8681054	BNTXTPXLOWCKEP-MDZDMXLPSA-N	244.250	1.638	50	50	BDGA	
COCCCNC(=O)[C@@](C)(Cl)CCl	71774036	CJIJEKGOAJHGKZ-QMMMGPOBSA-N	228.119	1.375	50	50	BDGA	
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)CCl	83264823	RITDKFINXLSZFM-SSDOTTSWSA-N	233.695	1.804	50	50	BDGA	
CCCCSc1cccc(B(O)O)c1	169951602	IUUFIYSSJHKAAN-UHFFFAOYSA-N	210.107	1.259	50	50	BDGA	in-vitro
CCOc1ccc(N=C=O)c([N+](=O)[O-])c1	5019710	ANUZRQJHDHUGTM-UHFFFAOYSA-N	208.173	1.961	50	50	BDGA	
CC(C)(C)N(N)C(=O)c1ccccc1N	4054644	NTETXJDXPSPKOP-UHFFFAOYSA-N	207.277	1.383	50	50	BDGA	
C=Cn1ccnc1[P@](=O)(O)c1ccccc1	100329034	BURCUBRBLBPOCU-UHFFFAOYSA-N	234.195	1.205	50	50	BDGA	
Cc1noc(C)c1[C@@H](C)CNC(=O)CCl	1875377187	APGBGIHYSXXGHE-LURJTMIESA-N	230.695	1.750	50	50	BDGA	
Cc1ccn(C[C@@H](C)CNC(=O)CCl)n1	1875379899	ZESOTADCWXJGPJ-QMMMGPOBSA-N	229.711	1.183	50	50	BDGA	
NC(=O)c1ccc(CBr)cc1	12957047	KXODOFITUJNMKA-UHFFFAOYSA-N	214.062	1.680	50	50	BDGA	in-vitro
CCOC(=O)/C(C#N)=C\c1cccn1C	4611254	LCAXOSSYUVBPDH-CLFYSBASSA-N	204.229	1.495	50	50	BDGA	
NC(=O)NNc1cccc2cccnc12	235941	KUKXAYANYXHXJU-UHFFFAOYSA-N	202.217	1.230	50	50	BDGA	
N#C/C(C(N)=O)=C1/CCCN1Cc1ccccc1	100303760	CVBHOOQHZZTAAE-OUKQBFOZSA-N	241.294	1.545	50	50	BDGA	
OB(O)c1ccc2c(c1)ncn2C1CCCCC1	170001866	AXOLVRPQMWZHST-UHFFFAOYSA-N	244.103	1.221	50	50	BDGA	
N#C[C@@H](NC(=O)CCl)c1ccsc1	306174097	LLUCUBFYRCVULG-SSDOTTSWSA-N	214.677	1.668	50	50	BDGA	
CCO[Si](C)(CCCOC[C@@H]1CO1)OCC	169808161	OTARVPUIYXHRRB-LLVKDONJSA-N	248.395	1.937	50	50	BDGA	
COC(=O)/C(C#N)=C\c1cccc(F)c1	5526090	XNBTUEPNFFWRHE-UITAMQMPSA-N	205.188	1.906	50	50	BDGA	
COC(CCCBr)(OC)OC	2545340	QBLJMYITBNHQOT-UHFFFAOYSA-N	227.098	1.755	50	50	BDGA	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NN	2558022	QRDXUCWCNIUPTK-RXMQYKEDSA-N	249.097	1.751	50	50	BDGA	
CCN(CC)C(=O)[C@@H](C)Br	5561456	VPSKMQYCSCPAGT-ZCFIWIBFSA-N	208.099	1.638	50	50	BDGA	
Cc1ccc(C(=O)N[C@@H](O)C(Cl)Cl)cc1	283744	KZQPAALIVAJFQJ-JTQLQIEISA-N	248.109	1.847	50	50	BDGA	
O=C=Nc1ccc(N2C(=O)C=CC2=O)cc1	2562610	OJQSISYVGFJJBY-UHFFFAOYSA-N	214.180	1.083	50	50	BDGA	in-vitro
CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)NN	34925093	ONTYDQNFRRQZJJ-SECBINFHSA-N	241.722	1.829	50	50	BDGA	
CC(=O)N/N=C/c1c[nH]c2ccccc12	271411	YLIMZZZQANZAFZ-NTUHNPAUSA-N	201.229	1.638	50	50	BDGA	
CCCC(=O)NNC(=O)c1ccc(C)cc1	5857862	JZYMJZRARNYCMF-UHFFFAOYSA-N	220.272	1.556	50	50	BDGA	
CC(=N/O)/C(C)=N/NC(=O)c1ccncc1	17300386	FCDLMCBKQLRKSA-SDGJLLIDSA-N	220.232	1.037	50	50	BDGA	
ClCCOCCI	142497417	XXUFCDWWUANVRH-UHFFFAOYSA-N	234.464	1.677	50	50	BDGA	
N#C/C(=C\c1c[nH]c2ccccc12)C(N)=O	1690194	NLJUQIIPXVMEAA-VMPITWQZSA-N	211.224	1.560	50	50	BDGA	in-vitro
O=C(CBr)c1cc(O)ccc1O	2511025	WFEMTEHSSHUKAD-UHFFFAOYSA-N	231.045	1.675	50	50	BDGA	in-vitro
CC1(C)OC[C@H](CI)O1	8699995	BBKBPYFNBFEICG-YFKPBYRVSA-N	242.056	1.573	50	50	BDGA	
O=C1c2ccccc2O[C@H](CCCl)N1O	160893	DPMAEXIEYHXXRK-SECBINFHSA-N	227.647	1.865	50	50	BDGA	in-vitro
COC(=O)N/N=C(\C)c1cccc(OC)c1	5282498	KPPVRCASIIAAIH-XYOKQWHBSA-N	222.244	1.775	50	50	BDGA	
Cc1cccc(NCc2ccccc2B(O)O)c1	195873470	BLPQXNYHXVTCIG-UHFFFAOYSA-N	241.099	1.287	50	50	BDGA	
Cc1cc(C(=O)NN)cc(C)c1OC(C)C	407947256	RTZVMNCCDCUZED-UHFFFAOYSA-N	222.288	1.694	50	50	BDGA	
CCOC(=O)[C@H]1CCC[C@@H](Br)C1=O	5857636	VKCMWLOBUILIOQ-NKWVEPMBSA-N	249.104	1.682	50	50	BDGA	in-vitro
CC(C)(CCl)C(=O)Nc1ncc(C(=O)O)o1	725256469	OCBRNOFDDJBLMC-UHFFFAOYSA-N	246.650	1.576	50	50	BDGA	
CC(=O)NNc1ccc(Br)cn1	40456713	NDNGAKFSQJFTEF-UHFFFAOYSA-N	230.065	1.307	50	50	BDGA	in-vitro
O=C(CCl)NC[C@@H]1CCCc2nccn21	1875370049	ZQBJBBWQOORNKR-QMMMGPOBSA-N	227.695	1.116	50	50	BDGA	
C[C@H](Cl)C(=O)NCc1ccn2ccnc2c1	1875363909	DGUBDOCUUQJAFD-QMMMGPOBSA-N	237.690	1.578	50	50	BDGA	
CCOC(=O)c1noc(C)c1CCl	4294232	MIIDXFUCLVBTAA-UHFFFAOYSA-N	203.625	1.899	50	50	BDGA	
CCc1cccnc1CNC(=O)CCl	134649305	QQUURPOULZWIJD-UHFFFAOYSA-N	212.680	1.499	50	50	BDGA	
N#C/C(N)=C(/C#N)N=Cc1ccccc1[N+](=O)[O-]	252463595	GWSCSOMMIYMXOK-WQIFFMSJSA-N	241.210	1.231	50	50	BDGA	
C[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	188443	JDTMDJFBCTYRPL-ZETCQYMHSA-N	232.283	1.990	50	50	BDGA	
C[C@@H]1CCc2onc(CNC(=O)CCl)c2C1	1875383547	YOTHQCKOZQNRRZ-SSDOTTSWSA-N	242.706	1.654	50	50	BDGA	
CC(C)(C)Sc1cccc(B(O)O)c1	169905003	WARYEXGCYYRRPN-UHFFFAOYSA-N	210.107	1.257	50	50	BDGA	in-vitro
C[C@H]1[C@@H](c2ccccc2)NC[C@@H](C)[C@@]1(O)C#N	100287149	WYWIMOATJMGNNL-XWUBHJNHSA-N	230.311	1.858	50	50	BDGA	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1	278806	KZWLFALGEJUAAZ-UHFFFAOYSA-N	240.218	1.422	50	50	BDGA	
CCN(CC)Cc1ccc(C(=O)NN)cc1	1462289	GIGSNSOHCRCJJS-UHFFFAOYSA-N	221.304	1.132	50	50	BDGA	
Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NN)c1	6825458	ZBRQMSYPRRLAAZ-JTQLQIEISA-N	222.288	1.369	50	50	BDGA	
O=C(O)CCc1ccc(NC(=O)CCl)cc1	1665118	XGCWDCPQUACWJF-UHFFFAOYSA-N	241.674	1.881	50	50	BDGA	
N#C/C=C1/[C@H]2C[C@H]3O[C@@]4(CC#N)[C@H]2C=C[C@H]4[C@@H]13	257355470	AWFGSRUFSKFIKH-UUUJCIDOSA-N	224.263	1.940	50	50	BDGA	
OB(O)c1ccccc1Oc1ccccc1	169743545	AVOWPOFIQZSVGV-UHFFFAOYSA-N	214.029	1.159	50	50	BDGA	in-vitro
N#CC(C#N)=Cc1cccc(O)c1C(=O)O	5426576	HGBNIRSLFHZNLV-UHFFFAOYSA-N	214.180	1.521	50	50	BDGA	
CC(C)CSc1cccc(B(O)O)c1	169951618	MDJPTBCKAGBJFD-UHFFFAOYSA-N	210.107	1.115	50	50	BDGA	
CCCC(=O)NNC(=O)Nc1ccccc1	2133241	ZUQPPGSHCZQELI-UHFFFAOYSA-N	221.260	1.639	50	50	BDGA	
O=C(CBr)N1CCc2ccccc21	9877310	NCHBDJXOHMIGRE-UHFFFAOYSA-N	240.100	1.971	50	50	BDGA	
NNC(=O)[C@@H]1Cc2c(ccc3ccccc23)O1	168755	JGYWCTCNNDFZDQ-LBPRGKRZSA-N	228.251	1.133	50	50	BDGA	
NP(=O)(c1ccccc1)c1ccccc1	392341	RIGIWEGXTTUCIQ-UHFFFAOYSA-N	217.208	1.874	50	50	BDGA	biogenic
CC(=O)Nc1ccccc1NC(=O)CCl	19093933	UPLFYYXYUGHITR-UHFFFAOYSA-N	226.663	1.822	50	50	BDGA	in-vitro
CCCCC[C@@H]1[C@@H](O)CC[C@@H]1CC(=O)NN	4587577	LEMDCLIXAOKCTJ-VWYCJHECSA-N	228.336	1.334	50	50	BDGA	
CC1=C(C(=O)NN)Sc2ccccc2N1	78849	VRJBHUOXEDABKA-UHFFFAOYSA-N	221.285	1.426	50	50	BDGA	in-vitro
CCNNC(=O)COc1ccc(Cl)cc1	35653734	WRGBOZNAFJZVLE-UHFFFAOYSA-N	228.679	1.360	50	50	BDGA	
O=C(CCl)Nc1cc(O)ccc1O	140058623	WMFOFOUJORBOAZ-UHFFFAOYSA-N	201.609	1.275	50	50	BDGA	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2C2=C1[C@H]1C=C[C@H]2C1	254736550	OFKIERVADQOMGB-HZTABANFSA-N	228.247	1.454	50	50	BDGA	
CCc1nn(C)cc1NC(=O)[C@H](F)Cl	1875361766	ARGAQOFDNCTXJD-ZETCQYMHSA-N	219.647	1.455	50	50	BDGA	
CCOC(=O)NNc1nncc2ccccc12	18055768	WGZDBVOTUVNQFP-UHFFFAOYSA-N	232.243	1.703	50	50	BDGA	world
Cc1cnn([C@H](C)[C@H](C)NC(=O)[C@H](F)Cl)c1	2325901646	PROCZMQWVAAIHD-YIZRAAEISA-N	247.701	1.792	50	50	BDGA	
CN(C)/C=N/NC(=O)c1ccc(Cl)cc1	11536313	WMRZQKCVTKPZEO-KPKJPENVSA-N	225.679	1.575	50	50	BDGA	
COC(=O)c1ccc(N(C)C(=O)CCl)cc1	77389166	GMAGWSKYJPPIQJ-UHFFFAOYSA-N	241.674	1.675	50	50	BDGA	
CC(=O)N/N=C/c1nc2ccccc2[nH]1	271745	GXPFZWODMVDMND-IZZDOVSWSA-N	202.217	1.033	50	50	BDGA	
C[C@@H](Cl)C(=O)NC(C)(C)c1ncccn1	1875375542	DGGSQUZRCQXKIL-SSDOTTSWSA-N	227.695	1.455	50	50	BDGA	
O=C(N/N=C/c1ccco1)[C@H](O)c1ccccc1	240374	QHYJUMPSGNWSSD-ZMTLZGASSA-N	244.250	1.463	50	50	BDGA	
CNC(=S)NNC(=O)c1ccc(Cl)cc1	122269	LTXLCIGUAUCMRL-UHFFFAOYSA-N	243.719	1.079	50	50	BDGA	
CC(C)(C)OC(=O)NN=C1CCOC1	242390331	ALEJVMJLMPXMQV-UHFFFAOYSA-N	200.238	1.287	50	50	BDGA	
CCOCC(=O)N(N)c1ccc(F)cc1	757129475	WTWSLDDRCQZZGB-UHFFFAOYSA-N	212.224	1.069	50	50	BDGA	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CCl	1118493507	XIWGYXUNMOKWSS-UHFFFAOYSA-N	243.738	1.904	50	50	BDGA	
CC(C)(C)OC(=O)NNC(=O)c1ccco1	4306404	QWKCSSMVRYPCGA-UHFFFAOYSA-N	226.232	1.449	50	50	BDGA	
C[C@H](Cl)C(=O)N(C)[C@@H]1CN2CCC1CC2	307467976	LRIIVLRPBZSLAT-WCBMZHEXSA-N	230.739	1.166	50	50	BDGA	
O=C(CCCl)Nc1ccc2[nH]c(=O)[nH]c2c1	9295569	JGCKERWIFJNBBQ-UHFFFAOYSA-N	239.662	1.424	50	50	BDGA	
C[C@H]1C[C@@H]1C(=O)NC(C#N)=C(Cl)Cl	1775965288	ZBIDVQDMLWGZAZ-WHFBIAKZSA-N	219.071	1.929	50	50	BDGA	
CCOC(=O)/C=C(/CBr)OCC	4692758	FYYMWILFRUUBCX-ALCCZGGFSA-N	237.093	1.865	50	50	BDGA	
O=S1(=O)[C@H]2CCC[C@@H]1[C@H](Cl)CC2	4972747	GBAMSMWXHXGKBX-XLPZGREQSA-N	208.710	1.724	50	50	BDGA	
CCO[C@@H]1CCN(C(=O)CCl)CC1(C)C	1875374615	ALQGJMLQQOBLPW-SECBINFHSA-N	233.739	1.889	50	50	BDGA	
C[C@H](Cl)C(=O)NCCc1ccc[nH]1	1875377864	PNZDFYFUDWXHJF-ZETCQYMHSA-N	200.669	1.301	50	50	BDGA	
CC[C@H](Br)C(=O)NC(C)C	32919897	XWTJTUDIWUHGOF-LURJTMIESA-N	208.099	1.685	50	50	BDGA	in-vitro
CCn1ccc(C(=O)NC2=C(C#N)CCC2)n1	467681	UXRZWQHCEIXAAF-UHFFFAOYSA-N	230.271	1.594	50	50	BDGA	
NNC(=O)COc1ccc(-c2ccccc2)cc1	2379800	IPSUINOGBWHSJI-UHFFFAOYSA-N	242.278	1.722	50	50	BDGA	
C=CCOc1cccc(/C=N/NC(=O)[C@H](C)O)c1	2901875	LDKILKGKFGDGIB-RSYJBZMQSA-N	248.282	1.082	50	50	BDGA	
N#C[C@H](NC(=O)CCl)c1ccccc1	334334	FSWBYBLRLNZCGB-VIFPVBQESA-N	208.648	1.606	50	50	BDGA	
O=C(NCc1ccnn1C1CCC1)[C@@H](F)Cl	2325897777	ILILMGNNZOODJG-SECBINFHSA-N	245.685	1.759	50	50	BDGA	
C/C=C/C=N/NC(=O)c1ccccc1O	1751235	OHNOEBWOIWMUMF-NQPRBDNZSA-N	204.229	1.684	50	50	BDGA	
CCCC(=O)NNC(=O)c1ccc(F)cc1	8569409	GBEAUFGXOADBEO-UHFFFAOYSA-N	224.235	1.387	50	50	BDGA	
N#C/C(=C\N1CCOCC1)c1ccccc1	95618480	RVDAXHHFWRWCAW-ACCUITESSA-N	214.268	1.883	50	50	BDGA	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2C2=C1[C@H]1CC[C@H]2C1	254749841	WKFRPTFLKPBUEG-HZTABANFSA-N	230.263	1.678	50	50	BDGA	
O=C(CCl)NC[C@@]1(C2CC2)CCCO1	1875368120	RMZHYZFVQAUVSI-SNVBAGLBSA-N	217.696	1.301	50	50	BDGA	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCl	1875377725	LVYPOWSRADXPBY-WPRPVWTQSA-N	217.696	1.323	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@H](C)c1cnccn1	1875377484	FOOCUYKCQYYCAD-NKWVEPMBSA-N	213.668	1.281	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@H](C)c1ccns1	715965683	HJZZLDWJKNXUPA-PHDIDXHHSA-N	218.709	1.948	50	50	BDGA	
NC(=O)NN=C1CCN(Cc2ccccc2)CC1	54061423	YKFLFNSTGOCEIG-UHFFFAOYSA-N	246.314	1.307	50	50	BDGA	
C/C(NCCc1ccccc1)=C(/C#N)C(N)=O	5034360	DCNMDQUZPDIMOB-ZRDIBKRKSA-N	229.283	1.102	50	50	BDGA	
CN(C)/C=C(\C#N)S(=O)(=O)c1ccccc1	12338452	WGGILLZYBNAKKM-PKNBQFBNSA-N	236.296	1.387	50	50	BDGA	
CCOC(=O)/C(C#N)=C\[C@@H]1CCCN(C)C1	5591957	ODMWDGXPWMXGLI-QBQSQJOESA-N	222.288	1.341	50	50	BDGA	
C[C@H]1CCCCN1CCNC(=O)CCl	308290914	HWIUFZVEVTXINO-VIFPVBQESA-N	218.728	1.216	50	50	BDGA	
OB(O)c1ccc(Oc2cccc(Cl)c2)nc1	169978148	DVSHNGBOFNHZMW-UHFFFAOYSA-N	249.462	1.207	50	50	BDGA	
O=C(CCCl)Nc1ccc2c(c1)OCO2	1793957	PMZCNFYSDCOWEK-UHFFFAOYSA-N	227.647	1.983	50	50	BDGA	in-vitro
N#Cc1ccsc1N1CC[C@H](Cl)C1=O	1875338051	MPTPNQQVVAMSDI-ZETCQYMHSA-N	226.688	1.964	50	50	BDGA	
C/C=N/NC(=O)COc1ccc(Cl)cc1	5174404	STBPBOIJRQIRQR-SWGQDTFXSA-N	226.663	1.841	50	50	BDGA	
O=C1C=C(NNC(=O)Cc2ccccc2)CCC1	276575	PWKBNVZKSUEXLI-UHFFFAOYSA-N	244.294	1.487	50	50	BDGA	
C[C@@H]1CCCCN1CCNC(=O)CCl	308290913	HWIUFZVEVTXINO-SECBINFHSA-N	218.728	1.216	50	50	BDGA	
O=S1(=O)CCC[C@@H](CBr)C1	49584876	LLFQAXVALBTPTN-LURJTMIESA-N	227.123	1.206	50	50	BDGA	in-vitro
COc1cccc([C@@H]2C[C@H]2NC(=O)CCl)c1	1875374964	LZCPGZYAVZZMJB-WDEREUQCSA-N	239.702	1.906	50	50	BDGA	
O=C(Cc1cccs1)N/N=C/c1ccncc1	73507	KEJQCXGOAACJPG-NTEUORMPSA-N	245.307	1.836	50	50	BDGA	
O=C(CCl)N1c2ccccc2C[C@@H]1CO	1875368073	OJUZXTXVACQKMV-SECBINFHSA-N	225.675	1.175	50	50	BDGA	
O=C(NCCBr)c1ccccc1	1696603	WCTQETQDPVEMGT-UHFFFAOYSA-N	228.089	1.811	50	50	BDGA	
CN(C)/C=N/C1=C(C#N)C(=O)CC(C)(C)C1	100161756	QXOXJNUXOFVYSX-RIYZIHGNSA-N	219.288	1.743	50	50	BDGA	
C[C@@H](Cl)C(=O)N(C)[C@@H]1CN2CCC1CC2	307467974	LRIIVLRPBZSLAT-PSASIEDQSA-N	230.739	1.166	50	50	BDGA	
Cc1ccc([C@@H]2CC(=O)C(C#N)=C(N)C2)o1	100783073	SOHQETJPXURLEC-QMMMGPOBSA-N	216.240	1.771	50	50	BDGA	
N#CC(C#N)=C(N)COc1cccc(Cl)c1	169856	SBWFFRVKUYJGAE-UHFFFAOYSA-N	233.658	1.979	50	50	BDGA	
OB(O)c1ccc(COC2CCCCC2)cc1	169926308	KSJIFPBSHMFGOT-UHFFFAOYSA-N	234.104	1.216	50	50	BDGA	in-vitro
OB(O)c1cccc(-c2ccccc2)c1F	169746513	VLUZUMHBJXPCRW-UHFFFAOYSA-N	216.020	1.173	50	50	BDGA	
NC(=S)NNC(=O)Nc1ccccc1Cl	2166101	RLEMSPXIVHLGMF-UHFFFAOYSA-N	244.707	1.210	50	50	BDGA	
OB(O)/C=C/c1cccc(C(F)(F)F)c1	198062576	HGEVMEKGPYPLRD-SNAWJCMRSA-N	215.967	1.731	50	50	BDGA	
CC(=O)N/N=c1/sc2ccccc2n1C	1994247	ZSEIJSLPBSZHGM-ZRDIBKRKSA-N	221.285	1.192	50	50	BDGA	
Cc1nn(C)c2[nH]c(=O)cc(CCl)c12	4243629	IUPGLSXNWNAHKK-UHFFFAOYSA-N	211.652	1.309	50	50	BDGA	
C[C@@H]1C/C(=N\NC(N)=O)[C@H]2C[C@H]1C2(C)C	245380920	USMSEBRNTOAJAR-CTLMATECSA-N	209.293	1.713	50	50	BDGA	
C[C@@H](Cl)C(=O)Nc1cccc(C(=O)O)c1	12016190	NNLNDFFIOWRHJB-ZCFIWIBFSA-N	227.647	1.951	50	50	BDGA	
COc1ccc(/C=C(/C#N)C(N)=S)c(OC)c1	16116136	XNRXHMJBCZFABC-UITAMQMPSA-N	248.307	1.897	50	50	BDGA	
COc1ccc(S(=O)(=O)NCCCl)cc1	2026452	JEENQNPFHDCPPL-UHFFFAOYSA-N	249.719	1.212	50	50	BDGA	
O=C(CBr)[C@@H]1NCc2ccccc21	263623119	DUFJGMUEYWNFPY-SNVBAGLBSA-N	240.100	1.795	50	50	BDGA	
O=C(CCl)NC[C@H]1CCCc2nccn21	1875370048	ZQBJBBWQOORNKR-MRVPVSSYSA-N	227.695	1.116	50	50	BDGA	
CC1=C[C@H](O)N2C(=C1C#N)Nc1ccccc12	1857526924	OVBWQYFVCXQJHI-LBPRGKRZSA-N	225.251	1.932	50	50	BDGA	
C[C@@H](Cl)C(=O)NCC1=CCCOC1	306828403	ILYLYEUWWQLAMX-SSDOTTSWSA-N	203.669	1.077	50	50	BDGA	
CCCNC(=S)NNC(=O)c1cccs1	13598774	LDZDESRZOOWKFP-UHFFFAOYSA-N	243.357	1.267	50	50	BDGA	
C[C@@]1(CCl)NC(=O)c2ccccc2N1	14807044	ZIQWEDBPPPUUFM-JTQLQIEISA-N	210.664	1.797	50	50	BDGA	
Cc1cc(C(=O)N/N=C/c2ccsc2)no1	373164	XCVUCNXKCPOTMD-VZUCSPMQSA-N	235.268	1.808	50	50	BDGA	
COC(=O)c1ccc(C(=O)OC)c(N=C=O)c1	32919470	VLBOVVSWDHUHJK-UHFFFAOYSA-N	235.195	1.227	50	50	BDGA	
O=C(O)[C@H](Br)CC(F)(F)F	16082662	RUKHEOCYZLWSQX-UWTATZPHSA-N	220.972	1.787	50	50	BDGA	in-vitro
O=C(NCCCl)NCCc1ccccn1	8729974	SMKIWKDSJWTNOO-UHFFFAOYSA-N	227.695	1.162	50	50	BDGA	in-vitro
C/C(Nc1ccc2c(c1)OCO2)=C(/C#N)C(N)=O	448166	QWPOHXXNEJLSMH-VQHVLOKHSA-N	245.238	1.110	50	50	BDGA	
NNC(=O)c1ccc(Br)cc1	270618	UYIMBYKIIMYFPS-UHFFFAOYSA-N	215.050	1.053	50	50	BDGA	in-vitro
BrC[C@@H](Br)[C@@H]1CO1	101367056	ZSVKDSDYRMOCFH-DMTCNVIQSA-N	229.899	1.544	50	50	BDGA	
IC[C@H]1CCCOC1	117708564	UFXLWDZIZHVRJG-ZCFIWIBFSA-N	226.057	1.848	50	50	BDGA	
Cc1nccc([C@H](C)NC(=O)CCl)n1	1875378027	UILSKIZCTKQKGD-LURJTMIESA-N	213.668	1.201	50	50	BDGA	
Cc1cc(OCC(=O)NN)ccc1C(C)C	390947	JEEIQGJOIVIMQH-UHFFFAOYSA-N	222.288	1.487	50	50	BDGA	
O[C@H](CCl)COc1ccc(F)cc1	2581141	OSIKOYZBGUHWAB-MRVPVSSYSA-N	204.628	1.804	50	50	BDGA	
O=C(CBr)NCc1cccs1	9877354	XFGFQNGEXUDOOD-UHFFFAOYSA-N	234.118	1.759	50	50	BDGA	
O=C(O)CCCI	2565969	HALXOXQZONRCAB-UHFFFAOYSA-N	214.002	1.286	50	50	BDGA	
COc1ccccc1NC(=O)C(=O)NN=C(C)C	4954266	LQHNIADQBVFHJY-UHFFFAOYSA-N	249.270	1.146	50	50	BDGA	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NN	2568678	WOSRIVSCOGEMCI-RXMQYKEDSA-N	232.642	1.236	50	50	BDGA	
CN1CCN(CCCBr)CC1	19366148	VGBABRZKSQUDEN-UHFFFAOYSA-N	221.142	1.019	50	50	BDGA	in-vitro
COC(=O)C[C@@H](N=C=O)c1ccccc1	2529037	VDVZFHKXMYZBFA-SNVBAGLBSA-N	205.213	1.627	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCn2ncc(Cl)c2C1	1875367985	GLFFXFHERYSUIG-ZCFIWIBFSA-N	248.113	1.506	50	50	BDGA	
COc1cc(CBr)ccn1	82046582	ROPDTLJSDLQQGZ-UHFFFAOYSA-N	202.051	1.985	50	50	BDGA	in-vitro
CCn1nc(C)c(NC(=O)CCl)c1C	4535355	PLJRWDLONYIQFZ-UHFFFAOYSA-N	215.684	1.697	50	50	BDGA	in-vitro
O=C(CCl)N[C@@H](c1ccc[nH]1)C(F)(F)F	1875378395	BRJUYZCZHBAHSH-ZETCQYMHSA-N	240.612	1.973	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H](CO)c1ccsc1	1875378024	UGPFRGZWSAHQLO-XPUUQOCRSA-N	233.720	1.525	50	50	BDGA	
COC(=O)c1cc(N)ccc1SC#N	16194072	ZBDUNUWNQXSJSQ-UHFFFAOYSA-N	208.242	1.629	50	50	BDGA	
O=C1OC(=O)c2c(Br)cccc21	32098861	AQBFKBMMIDHCFS-UHFFFAOYSA-N	227.013	1.760	50	50	BDGA	in-vitro
C[C@H](C(=O)NN)C1=NC(C)(C)Cc2ccccc21	435950	HNEWIALWNAFTKK-VIFPVBQESA-N	245.326	1.436	50	50	BDGA	
CCOC(=O)NC(C#N)=C(Cl)Cl	1742558	KPGACQTVHFXIIR-UHFFFAOYSA-N	209.032	1.903	50	50	BDGA	
CCOC(=O)C(CCCCl)C(=O)OCC	2534765	WUOPYKKJFZHTRA-UHFFFAOYSA-N	236.695	1.748	50	50	BDGA	
OCCSSCCO[C@@H]1CCCCO1	115090806	HUXQKDXLBYDKAK-SECBINFHSA-N	238.374	1.903	50	50	BDGA	
C[C@H](NC(=O)OC(C)(C)C)C(=O)CCl	78645395	SUMIWORFUZTLFW-LURJTMIESA-N	221.684	1.708	50	50	BDGA	in-vitro
CN1CCN(c2ccc(N=C=O)cc2)CC1	12370164	HUJDWVCICJKNQJ-UHFFFAOYSA-N	217.272	1.406	50	50	BDGA	
IC1CCOCC1	4277317	JTRNQTFTRDPITG-UHFFFAOYSA-N	212.030	1.600	50	50	BDGA	in-vitro
CS(=O)(=O)c1ccc(CCl)cc1	2571870	LXPRVXKHIXWBJZ-UHFFFAOYSA-N	204.678	1.829	50	50	BDGA	in-vitro
CC(C)(C)SSC[C@H](N)C(=O)O	2242692	TWMBHZTWEDJDRC-YFKPBYRVSA-N	209.336	1.578	50	50	BDGA	biogenic
OB(O)c1cc(F)ccc1OC1CCCCC1	197958345	OHWNPVQRWGSUQV-UHFFFAOYSA-N	238.067	1.217	50	50	BDGA	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2CCCC1	101017978	URCPRWSOPFAFOE-IMSYWVGJSA-N	206.241	1.678	50	50	BDGA	
ClCc1nc(Cl)c2c(n1)CCOC2	236040681	FUWNEJOFAKLNLD-UHFFFAOYSA-N	219.071	1.942	50	50	BDGA	
O=C(CCl)N[C@@H]1CC[C@](O)(C(F)(F)F)C1	1875375905	UIRPHVBGNXFOQQ-IYSWYEEDSA-N	245.628	1.187	50	50	BDGA	
COC(=O)C1(CN2CCSSCC2)CC1	952994355	IINRYGKMOAIMAZ-UHFFFAOYSA-N	247.385	1.637	50	50	BDGA	
CCOC1(CNC(=O)CCl)CCCC1	381816196	GPQQAPSFFJDSED-UHFFFAOYSA-N	219.712	1.691	50	50	BDGA	
CC[C@H](NC(=O)CCl)c1cccc(OC)n1	1875379680	UJHFUZCVVQXQQC-QMMMGPOBSA-N	242.706	1.896	50	50	BDGA	
CS(=O)(=O)/C(C#N)=C/Nc1ccccc1	826657264	UMSPLZDELUFZDF-CSKARUKUSA-N	222.269	1.508	50	50	BDGA	
C[C@H](Cl)C(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	1875380564	SBWDXSSIOLUZHY-RXKWGBCNSA-N	227.691	1.026	50	50	BDGA	
N#CC(C#N)=C(N)COc1ccc(F)cc1	15841736	NNLDSVVWXFNCNC-UHFFFAOYSA-N	217.203	1.464	50	50	BDGA	
O=C(NN=Cc1ccccc1)c1ccncc1	254393222	UFMAHOLDSCSFMC-UHFFFAOYSA-N	225.251	1.846	50	50	BDGA	
Cc1cnn([C@H](C)[C@@H](C)NC(=O)[C@@H](F)Cl)c1	2325901645	PROCZMQWVAAIHD-IWSPIJDZSA-N	247.701	1.792	50	50	BDGA	
C#C[C@](C)(CC)OC[C@H](CCl)OC[C@H]1CO1	252694341	JIESFYGQVNFHGZ-SDDRHHMPSA-N	246.734	1.828	50	50	BDGA	
CC(=O)NC1CCC(N(C)C(=O)CCl)CC1	1875374941	KTTDHBPXIFFFKP-UHFFFAOYSA-N	246.738	1.131	50	50	BDGA	
O=C(CCl)Nc1cccc2nonc12	13324276	YKBYPBBMQWHNOF-UHFFFAOYSA-N	211.608	1.400	50	50	BDGA	
CN(C)/C=N/C(=O)/C(C#N)=C/c1cccs1	3189616	HPWPXKOPVSMBFC-IMWXLZLDSA-N	233.296	1.772	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCCOCC1(C)C	1875376468	XXHXEKLIOBFNOE-MRVPVSSYSA-N	219.712	1.641	50	50	BDGA	
CN(C(=O)CCl)[C@@H]1CCC[C@H]1n1cccn1	1775988770	HALGBASEXUHLCJ-NXEZZACHSA-N	241.722	1.674	50	50	BDGA	
COc1ccccc1-c1ccc(B(O)O)cc1	169844719	QBMUOUYHVBGWDH-UHFFFAOYSA-N	228.056	1.042	50	50	BDGA	in-vitro
Cc1ccc2c(c1)cc(C(=O)NN)n2C	9614550	RFFZCOWSYPJOJM-UHFFFAOYSA-N	203.245	1.090	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCCOCC1(C)C	1875376469	XXHXEKLIOBFNOE-QMMMGPOBSA-N	219.712	1.641	50	50	BDGA	
CC1(C)CCCN1CCNC(=O)CCl	1875374983	MTGGTDSHVXFGNL-UHFFFAOYSA-N	218.728	1.216	50	50	BDGA	
CC1(C)c2ccccc2-c2ccc(B(O)O)cc21	169744801	DMDPAJOXRYGXCB-UHFFFAOYSA-N	238.095	1.673	50	50	BDGA	in-vitro
C=Cc1ccc([Si](OC)(OC)OC)cc1	196293705	LTQBNYCMVZQRSD-UHFFFAOYSA-N	224.332	1.415	50	50	BDGA	in-vitro
O=C(CCl)NC(=O)NC1CCCCC1	3308329	AJYLCYFEYRUYOG-UHFFFAOYSA-N	218.684	1.384	50	50	BDGA	in-vitro
CCCCOc1ccc(/C=N/NC(N)=O)cc1	3469273	GADFIULHCSPJFO-NTEUORMPSA-N	235.287	1.868	50	50	BDGA	
O=C(Cl)c1ccc(N2CCOCC2)nc1	19851668	CUYODHVYKUWKCO-UHFFFAOYSA-N	226.663	1.297	50	50	BDGA	in-vitro
O=C(NC[C@@H]1CCCCS1)[C@@H](F)Cl	2325897967	OEOXXEGRSCETTP-NKWVEPMBSA-N	225.716	1.923	50	50	BDGA	
O=C(OCCNCCCl)c1ccccc1	1698506	AOQUWJZGZHPJTB-UHFFFAOYSA-N	227.691	1.672	50	50	BDGA	
CCOC(=O)/C(C#N)=C\c1ccc(OC)c(O)c1	4838181	BFIYZYNSJSYIEP-POHAHGRESA-N	247.250	1.871	50	50	BDGA	
Cc1cc(C)cc(NC(=O)NN(C)C)c1	2172160	XYTNBOVNKDFPMD-UHFFFAOYSA-N	207.277	1.902	50	50	BDGA	
CC(C)(C)C(=O)NNC(=O)c1cccs1	570410	IZIRVXWEXVGHEC-UHFFFAOYSA-N	226.301	1.555	50	50	BDGA	
COc1cc([N+](=O)[O-])ccc1OC(C)=O	1843729	DIKOVRNHZKVROR-UHFFFAOYSA-N	211.173	1.529	50	50	BDGA	
O=C(CCl)NC[C@@]1(CF)CC12CCOCC2	1875370173	DULYIZPGKSWERN-NSHDSACASA-N	249.713	1.498	50	50	BDGA	
C[C@@H](Cl)C(=O)NC1(C2CC2)CCOCC1	1875377212	AUMIGPDJCNAWNZ-MRVPVSSYSA-N	231.723	1.689	50	50	BDGA	
NNC(=O)Cc1cccc2ccccc12	99647	FLHXVKZDKJAVMB-UHFFFAOYSA-N	200.241	1.372	50	50	BDGA	in-vitro
CCCCNC(=S)NNC(=O)c1ccco1	8829109	NOOUPGABZCUYOG-UHFFFAOYSA-N	241.316	1.189	50	50	BDGA	
CC(C)N1CC[C@@H](Br)C1=O	72266807	CHQRTHCYGHJYQY-ZCFIWIBFSA-N	206.083	1.391	50	50	BDGA	in-vitro
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN	286321	JWCIAHXGSIKKMH-ZCFIWIBFSA-N	214.652	1.097	50	50	BDGA	in-vitro
O=C(N/N=C/c1ccco1)c1ccncc1	28202	OOGABHAPRCRJSP-MDWZMJQESA-N	215.212	1.439	50	50	BDGA	
O=C(CCl)NNc1cccc(Cl)n1	1394498	JOUNKUKGGKLEGV-UHFFFAOYSA-N	220.059	1.417	50	50	BDGA	
O=C(CCl)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21	1875375074	POLWDGVAULSIPO-GUBZILKMSA-N	231.723	1.377	50	50	BDGA	
OB(O)c1ccc(-c2ccc(F)cc2)cc1	169744822	KHMFYFVXTICBEL-UHFFFAOYSA-N	216.020	1.173	50	50	BDGA	in-vitro
OB(O)c1ccccc1COC1CCCCC1	169926305	NXXYIOPJVQWODB-UHFFFAOYSA-N	234.104	1.216	50	50	BDGA	in-vitro
CCOc1ccc(/C=N/NC(C)=O)cc1	3071463	YGMBFCPKDUMKGA-XYOKQWHBSA-N	206.245	1.555	50	50	BDGA	
CCO[Si](CCCN)(OCC)OCC	169743031	WYTZZXDRDKSJID-UHFFFAOYSA-N	221.373	1.384	50	50	BDGA	in-vitro
CNC(=S)NNC(=O)c1cccc(Cl)c1	122141	GUIVTNLANWPCSB-UHFFFAOYSA-N	243.719	1.079	50	50	BDGA	
CC(C)(C)C(=O)NNC(=O)C(C)(C)C	2577701	DYMKFLALUQKMJE-UHFFFAOYSA-N	200.282	1.226	50	50	BDGA	
COC(=O)N/N=C/c1ccc(OC)c(OC)c1	182631	AHXYWJYDTZWDQA-KPKJPENVSA-N	238.243	1.394	50	50	BDGA	
COc1ccc(N2C(=O)CC(C#N)=C2N)cc1	3885578	LZVOZBRKHPZNNK-UHFFFAOYSA-N	229.239	1.126	50	50	BDGA	
CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	4829359	YYWJDODCLSXTPL-UHFFFAOYSA-N	229.623	1.711	50	50	BDGA	
CCCNC(=O)/C(C#N)=C\c1ccc(O)nc1	585136073	OZLICCFDABGGQG-POHAHGRESA-N	231.255	1.220	50	50	BDGA	
COC(=O)[C@@H]1CC[C@H](Br)C1	117650559	NBNSTTSIQITBMQ-RITPCOANSA-N	207.067	1.723	50	50	BDGA	
C[C@@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]6C(=O)OC(=O)[C@@H]6[C@H]3[C@H]1[C@@H]5[C@@]42C	254735157	VSXGOCWVVVTOMM-ILGQCTDKSA-N	230.263	1.080	50	50	BDGA	
C[C@@H](Cl)C(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	1875380563	SBWDXSSIOLUZHY-HOTMZDKISA-N	227.691	1.026	50	50	BDGA	
N#CSCC(=O)c1cccc([N+](=O)[O-])c1	2388859	ABKJWLHODKUEJA-UHFFFAOYSA-N	222.225	1.992	50	50	BDGA	
N#C/C(N)=C(\C#N)N=Cc1ccccc1[N+](=O)[O-]	252463594	GWSCSOMMIYMXOK-GEZCQDGOSA-N	241.210	1.231	50	50	BDGA	
CC(C)(C)OC[C@H](N=C=S)C(=O)O	757186945	GPPUPJUJOQSLJF-LURJTMIESA-N	203.263	1.358	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@]1(C)CCO[C@H](C)C1	1875376390	VLFCWLVJPLGIQG-KHQFGBGNSA-N	219.712	1.688	50	50	BDGA	
C[C@@H](Cl)C(=O)N(CCC#N)C[C@H]1CCOC1	1875363663	QLTJJFQCGNAHHX-NXEZZACHSA-N	244.722	1.392	50	50	BDGA	
Cc1cccnc1NC(=O)CBr	5571351	APFCQDBLFWJRCS-UHFFFAOYSA-N	229.077	1.723	50	50	BDGA	
C[C@@H]1[C@H](Cl)[C@H]1CN1CCCN(C=O)CC1	585136554	KLYDYJMESFEETB-DCAQKATOSA-N	230.739	1.024	50	50	BDGA	
CCOc1ccc(B(O)O)c(Cl)c1Cl	169964730	XRGFWZAWBZHWRS-UHFFFAOYSA-N	234.875	1.072	50	50	BDGA	
O=C(N/N=C\c1ccco1)c1ccncc1	4948129	OOGABHAPRCRJSP-JYRVWZFOSA-N	215.212	1.439	50	50	BDGA	
O=C1c2ccccc2C(=O)C1Br	100031821	DJSJIJDUPBUBKX-UHFFFAOYSA-N	225.041	1.829	50	50	BDGA	
O=C(CCl)NCCOc1ncccc1Cl	1324706570	NUOLOXOASZLVTC-UHFFFAOYSA-N	249.097	1.469	50	50	BDGA	
CN1CCC[C@@H](NC(=O)[C@@H](F)Cl)CC1	2325897811	JTHYQGIKGYYDKV-HTQZYQBOSA-N	222.691	1.121	50	50	BDGA	
CC(C)(C)OC(=O)N1CCC(O)(C#N)CC1	100009674	WWAGFFFOCPKWFA-UHFFFAOYSA-N	226.276	1.272	50	50	BDGA	in-vitro
OB(O)c1ccc(C2CCCCC2)cc1	169747016	KNQVRFYNQWNYPU-UHFFFAOYSA-N	204.078	1.414	50	50	BDGA	in-vitro
OB(O)c1cc2ccccc2c2ccccc12	169745017	JCDAUYWOHOLVMH-UHFFFAOYSA-N	222.052	1.673	50	50	BDGA	in-vitro
C[C@@H]1CCc2c(C(=O)NN)csc2C1	2795029	NDSFGXQXVKIDJL-ZCFIWIBFSA-N	210.302	1.476	50	50	BDGA	in-vitro
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Cl)C1	19485786	RVXRWTIRJZHIJP-DTWKUNHWSA-N	247.722	1.415	50	50	BDGA	in-vitro
CCN(CC)c1ccc(C(=O)NN)cc1	2574323	PUNSOBLTEWFAMJ-UHFFFAOYSA-N	207.277	1.136	50	50	BDGA	in-vitro
NC(=O)N/N=C1\C[C@@H]2CC[C@@H]3CC[C@@H]1[C@H]23	216345118	ZIHBTTIOZKHGHZ-KREVGAJTSA-N	207.277	1.467	50	50	BDGA	
N#C/C(N)=C(C#N)/N=C\C=C\c1ccccc1	221677246	XOWPPFGMBUWMBZ-HSNFKSIYSA-N	222.251	1.988	50	50	BDGA	
O=C(CCl)N[C@H](C1CC1)[C@H]1CCCOC1	723750017	ASCYPIGNZBHREP-GXSJLCMTSA-N	231.723	1.547	50	50	BDGA	
O=P1(O)c2ccccc2Nc2ccccc21	235459	FKCVBHGCEUDJJS-UHFFFAOYSA-N	231.191	1.965	50	50	BDGA	
C[C@@H](CSSC[C@H](C)C(=O)O)C(=O)O	2566593	AQLWLHRHIFTILV-WDSKDSINSA-N	238.330	1.809	50	50	BDGA	biogenic
C[C@H](Cl)C(=O)Nc1cccc(C(=O)O)c1	12016191	NNLNDFFIOWRHJB-LURJTMIESA-N	227.647	1.951	50	50	BDGA	
CC1(CI)COC1	22995875	UAYNHSVKPDQASH-UHFFFAOYSA-N	212.030	1.458	50	50	BDGA	in-vitro
CCCNC(=O)[C@H](Br)CC	32919982	PMPILFKTSYNCDL-ZCFIWIBFSA-N	208.099	1.686	50	50	BDGA	
CC(C)(C)[Si](C)(C)OCCNC1COC1	218142945	FQUNDUIRVDRSPV-UHFFFAOYSA-N	231.412	1.997	50	50	BDGA	
CC(C)COc1ccc(Cl)c(B(O)O)c1	169934255	CTXMQMLBCJQLHJ-UHFFFAOYSA-N	228.484	1.055	50	50	BDGA	in-vitro
NNC(=O)c1ccc(OCc2ccccc2)cc1	1452228	LZMCSSDFZRJZIS-UHFFFAOYSA-N	242.278	1.869	50	50	BDGA	in-vitro
COC[C@H](NC(=O)[C@@H](C)Cl)c1ccccn1	1875369901	PEJLBCRLBNBJNA-SCZZXKLOSA-N	242.706	1.513	50	50	BDGA	
O=C(CBr)c1ccc(O)c(CO)c1	34485737	XWRBIXFTHXFQKC-UHFFFAOYSA-N	245.072	1.462	50	50	BDGA	in-vitro
C#C[C@H](NC(=O)CCl)c1ccc(F)cc1	1875375288	XKICDQVAOODDSX-JTQLQIEISA-N	225.650	1.855	50	50	BDGA	
Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Cl	1875363822	AYJQBXPOQVNZHI-XPUUQOCRSA-N	242.710	1.165	50	50	BDGA	
N#CC(C#N)=CNc1ccc2c(c1)OCO2	2562159	LIJZBQKEPPDFMN-UHFFFAOYSA-N	213.196	1.758	50	50	BDGA	
CSc1ncc(OC[C@H](O)CCl)cn1	3130174	OJLNFCRVWGFYQK-ZCFIWIBFSA-N	234.708	1.177	50	50	BDGA	
Cc1nnc2c(NC(=O)[C@H](F)Cl)cccn12	2325901784	XRANJHGVPIUCGW-ZETCQYMHSA-N	242.641	1.511	50	50	BDGA	
CC(C)OC(=O)/C(C#N)=C/c1cccnc1	121499	UHUWORXRRDEJKV-IZZDOVSWSA-N	216.240	1.940	50	50	BDGA	
CCCC1C(C#N)=C(N)SC(N)=C1C#N	19337948	IZUGFMPAUURNBT-UHFFFAOYSA-N	220.301	1.537	50	50	BDGA	
C/C(C#N)=C\CN1C(=O)[C@@H](C)[C@H](C)C1=O	1775986626	BYXQLEZNZFTHSU-DTHNXCEOSA-N	206.245	1.097	50	50	BDGA	
NNC(=O)CSc1nc2ccccc2s1	37396	CERPICSYASCOGL-UHFFFAOYSA-N	239.325	1.378	50	50	BDGA	
OB(O)Cc1cccc(OC(F)(F)F)c1	170001432	CTDODCBEXIIBIC-UHFFFAOYSA-N	219.955	1.140	50	50	BDGA	
NN(CC1CCC1)C(=O)OCC(F)(F)F	757132720	VYVIKIXLSROPAJ-UHFFFAOYSA-N	226.198	1.661	50	50	BDGA	
CC(C)OC(=O)NNC(=O)OC(C)C	1651992	FBZULTVJWVCJQV-UHFFFAOYSA-N	204.226	1.171	50	50	BDGA	in-vitro
C[C@H]1C/C(=N\NC(N)=O)[C@H]2C[C@H]1C2(C)C	245380921	USMSEBRNTOAJAR-IWVHUPSLSA-N	209.293	1.713	50	50	BDGA	
O=C(CCCCl)Nc1ncc(C(=O)O)o1	725256361	HBBHHJYBRKBVNU-UHFFFAOYSA-N	232.623	1.330	50	50	BDGA	
C[C@@H](Cl)C(=O)NC(C)(C)c1ncon1	1875375994	LHJYHNBHZURTOJ-RXMQYKEDSA-N	217.656	1.048	50	50	BDGA	
COC(=O)c1ccsc1NC(=O)CCl	160050	PTLPUZFVMNXYIF-UHFFFAOYSA-N	233.676	1.712	50	50	BDGA	
Cc1cc(C(=O)N/N=C/C=C/c2ccco2)[nH]n1	3902308	IMEBLYWNJRXAMO-SJBFCETESA-N	244.254	1.740	50	50	BDGA	
Cc1cc(N/C=C(\C#N)C(N)=S)no1	101152499	YAGIJCXYRXYVLO-GQCTYLIASA-N	208.246	1.089	50	50	BDGA	
CCOC(=O)c1c(C)nc(CCl)nc1N	2797274	YHRPIGNDFXITOK-UHFFFAOYSA-N	229.667	1.283	50	50	BDGA	
CCCCN(N)C(=O)OCC(F)(F)F	757127490	KTUXDDDEAFACHM-UHFFFAOYSA-N	214.187	1.661	50	50	BDGA	
Cc1nccc([C@@H](C)NC(=O)CCl)n1	1875378028	UILSKIZCTKQKGD-ZCFIWIBFSA-N	213.668	1.201	50	50	BDGA	
C[C@@H](Cl)C(=O)NCCN1CCCCCC1=O	1875364082	ICKFIEMLCKAXCN-SECBINFHSA-N	246.738	1.133	50	50	BDGA	
O=C(O)[C@@H](Br)CCBr	2382839	OFBPRWUYMOUQML-VKHMYHEASA-N	245.898	1.620	50	50	BDGA	in-vitro
C[C@H]1[C@@H](CN2CCCN(C=O)CC2)[C@@H]1Cl	585136556	KLYDYJMESFEETB-HBNTYKKESA-N	230.739	1.024	50	50	BDGA	
NN(C(=O)C1CCC1)c1ccc(F)cc1	204861114	RXASGEXCIFNBTR-UHFFFAOYSA-N	208.236	1.833	50	50	BDGA	
O=C1c2ccccc2[C@H](O)N1CCCCl	334163600	YSCATTGHKYTUEE-JTQLQIEISA-N	225.675	1.762	50	50	BDGA	
CC(C)(C)OC(=O)N[C@H]1C=C(B(O)O)CCC1	675082147	FXVGRBYYBFYIRV-SECBINFHSA-N	241.096	1.002	50	50	BDGA	
CN(C(=O)CCl)C1CCC2(CC1)OCCO2	1875367256	JINMSUNRUHOYEI-UHFFFAOYSA-N	247.722	1.369	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	712905299	DGRMFPYQWYDGNR-AXTSPUMRSA-N	243.734	1.688	50	50	BDGA	
Cc1ccsc1/C=N/NC(=O)c1cnccn1	72825	ZMAOCXYSNZMXJT-VGOFMYFVSA-N	246.295	1.610	50	50	BDGA	
O=C(CCl)N1CCc2cc(F)ccc21	1118554517	VQILFZWHIAWOFN-UHFFFAOYSA-N	213.639	1.954	50	50	BDGA	
Cc1cc(B(O)O)c2ccc(Cl)c(C)c2n1	170001851	NOUOWVMQMNHEIA-UHFFFAOYSA-N	235.479	1.185	50	50	BDGA	
Cc1nccn1CC(=O)NN=Cc1cccs1	252679160	IRAADEQIXIPZBA-UHFFFAOYSA-N	248.311	1.403	50	50	BDGA	
CN(C(=O)CCl)[C@@H]1CCC[C@@H]1n1cccn1	1775988773	HALGBASEXUHLCJ-ZJUUUORDSA-N	241.722	1.674	50	50	BDGA	
C=CCSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1	3682894	MTCAWEXPGWORMN-MRVPVSSYSA-N	247.323	1.937	50	50	BDGA	
COC(=O)[C@H](Br)C(F)(F)F	8698288	BFNLYVZMYOKODI-REOHCLBHSA-N	220.972	1.485	50	50	BDGA	in-vitro
Cc1cc(O[C@H](C)C(=O)NN)cc(C)c1Cl	48683	XDAQXAPOGMEXLH-MRVPVSSYSA-N	242.706	1.714	50	50	BDGA	
CC1(C)CN(C(=O)CCl)[C@@H]2COC[C@@H]21	307590517	CGJZRMAGSQHNNE-JGVFFNPUSA-N	217.696	1.109	50	50	BDGA	
CC#CCOc1ncccc1C(=O)Cl	263624682	SORKXLKDWNWADZ-UHFFFAOYSA-N	209.632	1.863	50	50	BDGA	
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Cl)C1	19485782	RVXRWTIRJZHIJP-RKDXNWHRSA-N	247.722	1.415	50	50	BDGA	in-vitro
O=C1OC(=O)[C@@]23CC=CC[C@@]12CC1(CC1)C3	101049531	CHLUUHUVVOOFFI-BETUJISGSA-N	218.252	1.967	50	50	BDGA	
CC(C)Oc1ccc(B(O)O)cc1C(F)(F)F	169807591	BJUWYZGRAZSRQW-UHFFFAOYSA-N	248.009	1.172	50	50	BDGA	
CCCCOc1cc(B(O)O)cc(Cl)c1F	169955534	TZLYOQGVGVBSFI-UHFFFAOYSA-N	246.474	1.338	50	50	BDGA	
CCOC(=O)CCI	20231543	KZTNQOAFISZIEI-UHFFFAOYSA-N	228.029	1.375	50	50	BDGA	in-vitro
CC(C)CCSc1ccc(B(O)O)cc1	169904911	YGCYBBGQZWWUBS-UHFFFAOYSA-N	224.134	1.505	50	50	BDGA	in-vitro
O=C(N/N=C/c1ccco1)[C@@H](O)c1ccccc1	240370	QHYJUMPSGNWSSD-IGVUGNCQSA-N	244.250	1.463	50	50	BDGA	
O=C(CCl)NCc1cc([N+](=O)[O-])ccc1O	285112	HCGKAHCHJIYHAG-UHFFFAOYSA-N	244.634	1.155	50	50	BDGA	in-vitro
O=C(CCl)N1CCc2cc([N+](=O)[O-])ccc21	8981485	KGIVJRJHRKEQAA-UHFFFAOYSA-N	240.646	1.723	50	50	BDGA	
CO[Si](CCCn1cccc1)(OC)OC	196830375	FTDRQHXSYGDMNJ-UHFFFAOYSA-N	229.352	1.756	50	50	BDGA	
N#C/C=C1\[C@H]2C[C@H]3O[C@@]4(CC#N)[C@H]2C=C[C@H]4[C@@H]13	257355469	AWFGSRUFSKFIKH-CMYHEGEHSA-N	224.263	1.940	50	50	BDGA	
O=C(COc1ccccc1)N/N=C/c1ccc[nH]1	77864	ALFASJVSUFEQBU-OQLLNIDSSA-N	243.266	1.544	50	50	BDGA	
Cc1onc(-c2ccccc2)c1C(=O)NN	137805	NVDQWXGHTJREBS-UHFFFAOYSA-N	217.228	1.254	50	50	BDGA	
C/C(=N/NC(=O)c1cc(O)cc(O)c1)C1CC1	175440	ZJSNPKZNPYEMOA-QPEQYQDCSA-N	234.255	1.614	50	50	BDGA	
O=C1COc2cc(OCCCl)ccc21	140159097	BUZFKXULXBOQRH-UHFFFAOYSA-N	212.632	1.879	50	50	BDGA	
COC(=O)C[C@H](N=C=O)c1ccccc1	4268882	VDVZFHKXMYZBFA-JTQLQIEISA-N	205.213	1.627	50	50	BDGA	
C[C@@H](CC1CCCC1)C(=O)NN(C)[C@H](C)CO	585089637	SOJRWVWTLFDSDJ-WDEREUQCSA-N	242.363	1.547	50	50	BDGA	
C#CCOCCOCCBr	198752897	SEVJGPXPOQIEPS-UHFFFAOYSA-N	207.067	1.048	50	50	BDGA	
C[C@H](c1cccnc1)N(C)C(=O)CCl	1324706431	JREVJTPHCVUJRK-MRVPVSSYSA-N	212.680	1.840	50	50	BDGA	
N#CC(C#N)=C(N)[C@@]1(C#N)O[C@H]1c1ccccc1	230615326	NFOPYTRBLBDSEC-QWHCGFSZSA-N	236.234	1.280	50	50	BDGA	
CCOC(=O)N/N=C(\C)c1ccccn1	4992108	MGFZBMBICFXHJJ-XYOKQWHBSA-N	207.233	1.552	50	50	BDGA	
COC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1	587879	FYSGZDRJAPWWTK-WEVVVXLNSA-N	232.195	1.675	50	50	BDGA	
NNC(=O)C1CCC(c2ccccc2)CC1	296677	XAQRAXDAWBHPKL-UHFFFAOYSA-N	218.300	1.950	50	50	BDGA	
CCc1[nH]nc2c1[C@@H](C(C)C)C(C#N)=C(N)O2	6530632	IEARBULSCUBXKT-VIFPVBQESA-N	232.287	1.798	50	50	BDGA	
NNC(=O)CSCc1cccc(F)c1	6828856	WKJWNMQHHVZCOT-UHFFFAOYSA-N	214.265	1.049	50	50	BDGA	
Cc1nc2n(c(=O)c1CCCl)CCC[C@@H]2O	22054549	JKVUGXRJSYRXFN-VIFPVBQESA-N	242.706	1.160	50	50	BDGA	in-vitro
COC(=O)N1CCN(C[C@H]2[C@@H](Cl)[C@@H]2C)CC1	864087948	URPHXLSWJGJRAL-BBBLOLIVSA-N	246.738	1.244	50	50	BDGA	
CN(C(=O)CCl)[C@H]1CCC[C@H]1n1cccn1	1775988772	HALGBASEXUHLCJ-VHSXEESVSA-N	241.722	1.674	50	50	BDGA	
C[C@H](Cl)C(=O)N1CCOc2ncccc2C1	1875378194	XBQSBRSBDQHJFO-QMMMGPOBSA-N	240.690	1.430	50	50	BDGA	
Cc1nc(C)c2c(n1)O[C@H](CBr)C2	16848308	LRKSRMVQLTUVOM-ZETCQYMHSA-N	243.104	1.792	50	50	BDGA	
O=C(O)c1ccoc1CBr	97757478	YPXBFMXTZUOCNU-UHFFFAOYSA-N	205.007	1.873	50	50	BDGA	in-vitro
CC(C)[C@H](NC(=O)CCl)c1ncon1	1875378327	ZVUMJHFMUPGWOL-ZETCQYMHSA-N	217.656	1.122	50	50	BDGA	
O=C(OCCCl)c1ccc([N+](=O)[O-])cc1	1621824	BUIVPELJVUWILR-UHFFFAOYSA-N	229.619	1.990	50	50	BDGA	
Cc1nnc([C@H](C)NC(=O)[C@@H](C)Cl)s1	307595349	KEAMEZYODCQAKH-UHNVWZDZSA-N	233.724	1.651	50	50	BDGA	
C[C@H](Br)C(=O)Br	4521288	ILLHORFDXDLILE-REOHCLBHSA-N	215.872	1.691	50	50	BDGA	
CCN(CC)CCC[Si](OC)(OC)OC	169746908	ZLDHYRXZZNDOKU-UHFFFAOYSA-N	235.400	1.596	50	50	BDGA	
O=C(CCl)Nc1cccnc1Cl	166983	LJAROVLJNWCCPM-UHFFFAOYSA-N	205.044	1.912	50	50	BDGA	in-vitro
O=C(OCCBr)C(F)(F)F	147655874	TVOQYZOMAGLRIT-UHFFFAOYSA-N	220.972	1.487	50	50	BDGA	
CN(C(=O)CCl)[C@H]1CCC[C@@H]1n1cccn1	1775988771	HALGBASEXUHLCJ-UWVGGRQHSA-N	241.722	1.674	50	50	BDGA	
NNC(=O)Cc1ccc2ccccc2c1	335861	DDSJXLAYUZQBAU-UHFFFAOYSA-N	200.241	1.372	50	50	BDGA	in-vitro
CN1C(CN)=CC=C[C@@H]1Br	228956952	TWCFTMRWDQOOLE-SSDOTTSWSA-N	203.083	1.052	50	50	BDGA	
CCOC(=O)C1CCN(C(=O)CCl)CC1	161839	QEHUOCAVXLYCAU-UHFFFAOYSA-N	233.695	1.027	50	50	BDGA	
O=C(CCl)Nc1cccc(C(=O)O)c1O	1429470	PHBGFWKIUBWAHQ-UHFFFAOYSA-N	229.619	1.268	50	50	BDGA	
O=C(NNc1cccc(F)n1)c1ccccc1	1391056	BAUPQBFGJHQCGW-UHFFFAOYSA-N	231.230	1.978	50	50	BDGA	
CCn1cc(/C=C(\C#N)C(N)=S)cn1	2806877	MTEQYMOLKCIVOA-FPYGCLRLSA-N	206.274	1.096	50	50	BDGA	
C[C@@H]1NC(=O)N(C(C)(C)C)C(=O)[C@@H]1Cl	122360	CUHLYCUCQYKUPZ-NTSWFWBYSA-N	218.684	1.333	50	50	BDGA	
N#CC1=C(N)N(c2ccc(F)c(F)c2)C(=O)C1	1425635	WCJMEJHIFDWTET-UHFFFAOYSA-N	235.193	1.395	50	50	BDGA	
O=C(N/N=C/c1ccccc1O)c1ccccn1	227919	JROVPEHJQHDYQV-OQLLNIDSSA-N	241.250	1.551	50	50	BDGA	
COc1ccccc1C(=O)CNC(=O)CCl	1772717618	QKLBYODTCLRZIH-UHFFFAOYSA-N	241.674	1.233	50	50	BDGA	
CC(C)(C)OC(=O)NCCC(=O)OCCl	166910244	WONDONZVEYHOOG-UHFFFAOYSA-N	237.683	1.641	50	50	BDGA	
CCOC(=O)/C(C#N)=C/c1ccc(C=O)[nH]1	335152	RNGNFMMGVFLSPX-VMPITWQZSA-N	218.212	1.297	50	50	BDGA	
CN(CCc1ccc(C#N)cc1)C(=O)CCl	1875366366	DAKLMVNQOBCPRG-UHFFFAOYSA-N	236.702	1.798	50	50	BDGA	
O=C(N/N=C/c1ccccn1)c1ccccc1	255891	FEHWEDNVSQUYNH-XNTDXEJSSA-N	225.251	1.846	50	50	BDGA	
CCCNC(=O)NNC(=O)c1ccc(F)cc1	2570972	GNRNJXYRLPJFKZ-UHFFFAOYSA-N	239.250	1.180	50	50	BDGA	
O=CNNC(=S)Nc1cccc(Cl)c1	3274877	CAENCGNYLGAYBJ-UHFFFAOYSA-N	229.692	1.287	50	50	BDGA	
O=C(N/N=C/c1ccccc1)c1cc[nH]n1	45304	UEBQXDJERRSAMF-MDWZMJQESA-N	214.228	1.174	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H](C)c1ccn(C)n1	1875378247	YDDHFCIDZHWGNC-BQBZGAKWSA-N	215.684	1.225	50	50	BDGA	
CC(C)(C)Sc1ccc(B(O)O)cc1	169844664	RLSGPRQEFFGNKS-UHFFFAOYSA-N	210.107	1.257	50	50	BDGA	in-vitro
O=S(=O)(CCCl)c1ccccc1	80334	NUJGORANFDSMOL-UHFFFAOYSA-N	204.678	1.699	50	50	BDGA	in-vitro
CC(C)NC(=O)CC(=O)NN=C1CCCCC1	4611367	NPBBLIKFLHXCBQ-UHFFFAOYSA-N	239.319	1.337	50	50	BDGA	
CCOC(=O)/C(C#N)=C1/C[C@@H](C)N(C)C[C@H]1C	245238811	BDKQNXZHEKKITA-WNPRHHQDSA-N	236.315	1.730	50	50	BDGA	
CC(C)N(C(=O)CCl)C1CCOCC1	1319684478	XDGFOXYOFMBMFV-UHFFFAOYSA-N	219.712	1.641	50	50	BDGA	
COCCOCCOCCBr	15767308	LCCCTXULXHJDLA-UHFFFAOYSA-N	227.098	1.061	50	50	BDGA	in-vitro
CC(C)(C)c1ccc(OCC(=O)NN)cc1	244371	NFKRKACSPUJPKF-UHFFFAOYSA-N	222.288	1.353	50	50	BDGA	in-vitro
CC(C)N(C(=O)CCl)[C@@H]1CCCC[C@@H]1O	1875369707	CDCNZDYZHKCDKI-ZJUUUORDSA-N	233.739	1.766	50	50	BDGA	
O=C(CCl)NCc1ccc2cc[nH]c2n1	1875374870	HYEXAGWRPRSNAB-UHFFFAOYSA-N	223.663	1.418	50	50	BDGA	
CC(C)[C@H]1C[C@@H](CNC(=O)CCl)CCO1	1875375330	ZQEZYGMMKFSLLM-VHSXEESVSA-N	233.739	1.793	50	50	BDGA	
N#C/C(=C/c1cccc(Cl)c1)C(N)=O	256270	WKQJEMMLYNQPJS-YWEYNIOJSA-N	206.632	1.732	50	50	BDGA	
OB(O)c1cc2cc(C(F)(F)F)ccc2o1	205430867	FMNJDJWOEYUSTA-UHFFFAOYSA-N	229.950	1.131	50	50	BDGA	
Cc1cc(OCC(=O)NN)ccc1Cl	63740	DLFJAQDMJDJPKW-UHFFFAOYSA-N	214.652	1.017	50	50	BDGA	in-vitro
COc1ccc(CNC(=O)CCl)cc1OC	3276791	CETPWRGZGWGPSV-UHFFFAOYSA-N	243.690	1.559	50	50	BDGA	
CCNC[C@@H](C)C[Si](OC)(OC)OC	196055107	FRDNYWXDODPUJV-SECBINFHSA-N	221.373	1.110	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@H]1CCc2n[nH]cc2C1	1875363849	BNUSORQLBLHBJU-XPUUQOCRSA-N	227.695	1.011	50	50	BDGA	
Cc1cccc2c1C[C@H](NC(=O)CCl)CO2	1118920734	UQHWLEIWLLPQNN-VIFPVBQESA-N	239.702	1.654	50	50	BDGA	
COc1ccc(NC(=O)NN(C)C)cc1	2171013	JFZIRCYNGYZAJH-UHFFFAOYSA-N	209.249	1.293	50	50	BDGA	
COc1ccc(N(C)C(=O)[C@@H](C)Cl)cn1	1875364927	YGBLSGMTUXVFLV-SSDOTTSWSA-N	228.679	1.680	50	50	BDGA	
COC(=O)N1CCN(C[C@@H]2[C@@H](C)[C@H]2Cl)CC1	864087951	URPHXLSWJGJRAL-OPRDCNLKSA-N	246.738	1.244	50	50	BDGA	
O=C(CCl)N1CO[C@H]2CCCC[C@H]2C1	1875377443	DSHYUQLCHWEPJP-IUCAKERBSA-N	217.696	1.600	50	50	BDGA	
CCCCC[C@@H]1[C@H](O)CC[C@@H]1CC(=O)NN	13477318	LEMDCLIXAOKCTJ-OUAUKWLOSA-N	228.336	1.334	50	50	BDGA	
NNC(=O)c1cc(Cl)cc(Cl)c1	2570690	DNISXKBKTSHNKL-UHFFFAOYSA-N	205.044	1.597	50	50	BDGA	in-vitro
CC(=O)NNC(=S)Nc1ccccc1	5602300	CCUVLDJKNQKTJS-UHFFFAOYSA-N	209.274	1.024	50	50	BDGA	
CSC(=S)NNC(=O)c1ccccc1	3207951	MCFFZSLPGDSKAI-UHFFFAOYSA-N	226.326	1.569	50	50	BDGA	
Cc1nnc(CN(C)C(=O)[C@@H](F)Cl)s1	2325897891	LUGLGFUDZXNQRV-ZCFIWIBFSA-N	237.687	1.339	50	50	BDGA	
N#CCC(=O)N/N=C/c1ccccc1Cl	98684	XDSPOYNCHBFWFL-NTUHNPAUSA-N	221.647	1.704	50	50	BDGA	
Cn1nnc2cc(CBr)ccc21	158986	OSUZHHPMRAIJDY-UHFFFAOYSA-N	226.077	1.863	50	50	BDGA	in-vitro
O=C(CCCl)n1nnc2ccccc21	2573598	HSMGLVQSVHKLFX-UHFFFAOYSA-N	209.636	1.700	50	50	BDGA	
C[C@H](Cl)C(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1	1875380566	SBWDXSSIOLUZHY-VAPHQMJDSA-N	227.691	1.026	50	50	BDGA	
O=CNNc1cc(Cl)nc(-c2ccccc2)n1	2029032	CVQMVMMEXUMHOG-UHFFFAOYSA-N	248.673	1.870	50	50	BDGA	
NNC(=O)c1ccc(Br)cc1Cl	2562411	ITRFHDNPGFOLFX-UHFFFAOYSA-N	249.495	1.706	50	50	BDGA	
O=C(CBr)c1cscn1	39055462	YYTOHMVXPXMLLJ-UHFFFAOYSA-N	206.064	1.721	50	50	BDGA	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCl	1875377724	LVYPOWSRADXPBY-WCBMZHEXSA-N	217.696	1.323	50	50	BDGA	
O=C(NNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccco1	1875267526	FHCYASWUJYGCOB-BRPSZJMVSA-N	234.255	1.087	50	50	BDGA	
O=C(N/N=C/c1ccncc1)c1ccccc1O	259632	IJYMNXKIBGOXHZ-OQLLNIDSSA-N	241.250	1.551	50	50	BDGA	
O=C=NS(=O)(=O)c1ccccc1Cl	2384735	LALCDSDHLXWTTL-UHFFFAOYSA-N	217.633	1.365	50	50	BDGA	
Cn1c(CCl)nc2ccccc2c1=O	7784458	NDYMABNTFFJQLH-UHFFFAOYSA-N	208.648	1.672	50	50	BDGA	
CC(C)[C@H](C(Cl)Cl)S(=O)(=O)O	101042315	YXUWWVUSADDGGC-SCSAIBSYSA-N	221.105	1.703	50	50	BDGA	
O=C1OC(=O)C23CC=CCC12CC=CC3	100967699	AVUXPNMUBVSYQO-UHFFFAOYSA-N	204.225	1.743	50	50	BDGA	
Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)Cl	1875363821	AYJQBXPOQVNZHI-SVRRBLITSA-N	242.710	1.165	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	712905303	DGRMFPYQWYDGNR-QEYWKRMJSA-N	243.734	1.688	50	50	BDGA	
O=C(O)c1ccc(NNC(=O)C(F)(F)F)cc1	17744475	PKQXKODPYNMWBR-UHFFFAOYSA-N	248.160	1.390	50	50	BDGA	
C[C@@H](Oc1ccccc1Cl)C(=O)NN	370114	JDYLDTKUYDWSFQ-ZCFIWIBFSA-N	214.652	1.097	50	50	BDGA	in-vitro
O=C1SS(=O)(=O)c2ccccc21	389835	JUDOLRSMWHVKGX-UHFFFAOYSA-N	200.240	1.262	50	50	BDGA	in-vitro
CCOC(=O)NCCCBr	1757944	ZPSVOEVGBDDSDQ-UHFFFAOYSA-N	210.071	1.518	50	50	BDGA	
O=C(N/N=C/c1ccc[nH]1)[C@H](O)c1ccccc1	4937466	ZHQUGXRWAOOQSR-KMHUVPDISA-N	243.266	1.198	50	50	BDGA	
C=CC[C@H](C)C(=O)NNC(=O)[C@H](C)CC=C	17158024	WTGMHMUESMMPEM-AOOOYVTPSA-N	224.304	1.558	50	50	BDGA	
Cc1cc(NC(=O)[C@@H](F)Cl)cnc1O	2325897889	LRSJTOYBQWTHEF-ZCFIWIBFSA-N	218.615	1.569	50	50	BDGA	
O=C(N/N=C/c1ccc[nH]1)c1ccc(O)cc1	125092	DZVXLHBNNBVIPZ-RIYZIHGNSA-N	229.239	1.484	50	50	BDGA	
CC(C)C(=O)NN/C=C/C(=O)C(C)(C)C	23279790	FETITGFGOLFHSR-VOTSOKGWSA-N	212.293	1.392	50	50	BDGA	
Cc1nc2c(s1)CN(C(=O)[C@@H](F)Cl)C2	2325901637	OWZJPTPABRLIOH-SSDOTTSWSA-N	234.683	1.828	50	50	BDGA	
O=C(CCCl)OCCOC(=O)CCCl	2162159	BYAAJQODLNAQQQ-UHFFFAOYSA-N	243.086	1.331	50	50	BDGA	
CC(=O)NNC(=O)Nc1ccc(C)c(C)c1	3086106	YMEMJNQABRXRQV-UHFFFAOYSA-N	221.260	1.476	50	50	BDGA	
O=C(CCl)NCc1cccc2c1CCOC2	1329241741	BLMDBDFJQVPBCZ-UHFFFAOYSA-N	239.702	1.614	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@H](C)c1ccns1	715965680	HJZZLDWJKNXUPA-NTSWFWBYSA-N	218.709	1.948	50	50	BDGA	
CCc1nnc(NC(=O)CCCl)s1	5477472	CBIHUHXXBJILSQ-UHFFFAOYSA-N	219.697	1.668	50	50	BDGA	in-vitro
CCOC(=O)N/N=C/c1ccccc1F	273642	QSHDZGYYJHDJAA-KPKJPENVSA-N	210.208	1.906	50	50	BDGA	
COC(=O)c1ccc(CBr)nn1	307629989	LWVHIQURFRFPMV-UHFFFAOYSA-N	231.049	1.158	50	50	BDGA	
NNC(=O)c1cccc(Br)c1	409177	BNAQRAZIPAHWAR-UHFFFAOYSA-N	215.050	1.053	50	50	BDGA	biogenic,in-vitro
CC(C)c1cc(C(=O)N/N=C/c2ccco2)[nH]n1	9186780	XRMAKMJMCXXXJL-NTUHNPAUSA-N	246.270	1.890	50	50	BDGA	
NC(=O)N/N=C/c1cccc(C(F)F)c1	156372383	JVQRVBJUVIKZNH-WLRTZDKTSA-N	213.187	1.626	50	50	BDGA	
O=C(CCl)N1CO[C@@H]2CCCC[C@@H]2C1	1875377444	DSHYUQLCHWEPJP-RKDXNWHRSA-N	217.696	1.600	50	50	BDGA	
O=C(N/N=C/c1ccoc1)c1ccncc1	442726	IPVLIEYEBXIJGI-NTUHNPAUSA-N	215.212	1.439	50	50	BDGA	
CC(C)(O)CN(C(=O)CCl)C1CCOCC1	1875381322	QWQBWLPKHCUAJI-UHFFFAOYSA-N	249.738	1.004	50	50	BDGA	
O=C1OC(=O)c2ncc(Br)cc21	100174226	FMIBWNJUQJRTER-UHFFFAOYSA-N	228.001	1.155	50	50	BDGA	in-vitro
O=C1C[C@H](c2cccc(Cl)c2)C(=O)O1	100648338	WEHGLYOSXAHMHX-MRVPVSSYSA-N	210.616	1.897	50	50	BDGA	
OB(O)c1cc(C(F)(F)F)cc(Cl)c1F	210406402	ONEOGWWOQBIZHC-UHFFFAOYSA-N	242.364	1.178	50	50	BDGA	
C[C@H](O)CN(C(=O)CCl)C1CCCCC1	1875381439	VCYVGULBMBADLA-VIFPVBQESA-N	233.739	1.767	50	50	BDGA	
CCOC(=O)N/N=C/c1nc2ccccc2[nH]1	1233214	PHNGRVUMAKGQKR-KPKJPENVSA-N	232.243	1.643	50	50	BDGA	
COc1ccccc1CNC(=O)CCCl	5746448	FVBYAFBTSQKJJN-UHFFFAOYSA-N	227.691	1.940	50	50	BDGA	in-vitro
O=C1OC(=O)c2cc(O)cc3cccc1c23	100068602	FKVNZFAMXGMPOU-UHFFFAOYSA-N	214.176	1.856	50	50	BDGA	in-vitro
CCO[Si](CCl)(OCC)OCC	169744924	ZDOBWJOCPDIBRZ-UHFFFAOYSA-N	212.749	1.813	50	50	BDGA	
Cc1n[nH]c2c1[C@@H](c1ccco1)C(C#N)=C(N)O2	4730105	UHARQVNAUNOBNF-SNVBAGLBSA-N	242.238	1.529	50	50	BDGA	
Cc1ccc(C[C@H]2C(=O)OC(=O)[C@H]2C)cc1	100405851	MEDNFLOADJSQQZ-GXSJLCMTSA-N	218.252	1.873	50	50	BDGA	
C[C@H](Cl)C(=O)Nc1ccc(O)c(C(=O)O)c1	74941385	YFWZPOOZQRQDGJ-YFKPBYRVSA-N	243.646	1.656	50	50	BDGA	
NNC(=O)c1[nH]c2ccccc2c1Cl	6931922	KFFDKLCNJQGAQZ-UHFFFAOYSA-N	209.636	1.425	50	50	BDGA	
Cc1occc1C(=O)N/N=C/c1ccccn1	228217	FYMLWJAMXQEYLH-RIYZIHGNSA-N	229.239	1.747	50	50	BDGA	
O=C(CCCl)Nc1cccc(C(=O)O)c1O	4593492	AFNWAUFHXWHNEZ-UHFFFAOYSA-N	243.646	1.658	50	50	BDGA	
COC(=O)c1ccc(CBr)cn1	21985065	SIMKVUKTEMRUSF-UHFFFAOYSA-N	230.061	1.763	50	50	BDGA	
O=C(OC(=O)C(Cl)Cl)C(Cl)Cl	85952586	RQHMQURGSQBBJY-UHFFFAOYSA-N	239.869	1.664	50	50	BDGA	
C[C@@H](NC(=O)CCl)c1cccc(C#N)c1	1262078796	WDCXTLRDIODHIN-MRVPVSSYSA-N	222.675	1.974	50	50	BDGA	
CC(/C=C/c1ccccc1)=N\NC(N)=O	5494600	XEAXZEMHSLDEEG-NJHPPEEMSA-N	203.245	1.744	50	50	BDGA	
C[C@H]1CC(=O)OC(=O)N1C(=O)OC(C)(C)C	32098806	JWGYMRBLFDQUPS-LURJTMIESA-N	229.232	1.679	50	50	BDGA	in-vitro
COC(=O)[C@@H](Cc1ccccc1)N=C=O	2509882	JOTMMIYKEOOTNZ-SNVBAGLBSA-N	205.213	1.107	50	50	BDGA	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(N)=O)C1	4991752	ROYUYJQRQPJMFE-YPJZTRPGSA-N	207.277	1.943	50	50	BDGA	
Cc1ccc(S(=O)(=O)CC(=O)CCl)cc1	2168860	MRSPEVAHYRJSAE-UHFFFAOYSA-N	246.715	1.577	50	50	BDGA	
CCC[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	5799345	CLWLMCWATYLQAS-ZETCQYMHSA-N	218.260	1.688	50	50	BDGA	in-vitro
COC(=O)c1cccc(C(=O)[C@@H](C)Cl)n1	169794965	UFOFMPBGCTXYNB-ZCFIWIBFSA-N	227.647	1.678	50	50	BDGA	
N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O	154474	HZNVUJQVZSTENZ-UHFFFAOYSA-N	227.006	1.171	50	50	BDGA	in-vitro
O=C[C@@H](Cl)Cc1ccc([N+](=O)[O-])cc1	2173602	HLWJRKYWLUZVJK-QMMMGPOBSA-N	213.620	1.944	50	50	BDGA	
CCOC(=O)[C@@H]1CCC[C@@H](Br)C1=O	5856969	VKCMWLOBUILIOQ-RNFRBKRXSA-N	249.104	1.682	50	50	BDGA	in-vitro
Nc1nc(CCl)nc(N2CCCCC2)n1	88411	VLGDSUDZOVZMHX-UHFFFAOYSA-N	227.699	1.183	50	50	BDGA	
CC(C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	278703	YOMQUOVFBREBBW-LLVKDONJSA-N	232.283	1.990	50	50	BDGA	
CCC(=O)NNC(=O)CCc1ccccc1	5710709	AOVAZWVRBOBLGC-UHFFFAOYSA-N	220.272	1.177	50	50	BDGA	
CCOC(=O)[C@H]1C[C@@H]1CBr	117466063	XAUNGMQKDDMMQW-RITPCOANSA-N	207.067	1.581	50	50	BDGA	
O=C(CCl)Nc1ccc(O)cc1O	61997443	PWHSNRUESMWZSP-UHFFFAOYSA-N	201.609	1.275	50	50	BDGA	
CCCCOc1c(Cl)ccc(B(O)O)c1F	169934283	DTPPHPUEQJHYOL-UHFFFAOYSA-N	246.474	1.338	50	50	BDGA	
O=c1c2ccccc2ncn1CCCl	2584136	NJCVGJQMNUHBCF-UHFFFAOYSA-N	208.648	1.635	50	50	BDGA	in-vitro
Cc1cccc(C(=O)NNC(=O)C2CC2)c1	358499	USNFESXQYUDVRX-UHFFFAOYSA-N	218.256	1.166	50	50	BDGA	
Cc1occc1C(=O)N/N=C/c1cccnc1	4751000	IEPYVUGXSJPOHQ-RIYZIHGNSA-N	229.239	1.747	50	50	BDGA	
Cc1nc(CCNC(=O)[C@@H](C)Cl)c(C)o1	1875366445	KGSUEMGODIUNLO-ZCFIWIBFSA-N	230.695	1.577	50	50	BDGA	
COC(=O)N/N=C/c1ccc(O)c(OC)c1	491877	USNCBVZYPLGNDP-IZZDOVSWSA-N	224.216	1.091	50	50	BDGA	
NC(=O)N/N=C(/c1ccccc1)c1ccncc1	34006320	POWNBLHXCLTVEJ-VBKFSLOCSA-N	240.266	1.502	50	50	BDGA	
C[C@@H](Cl)C(=O)N[C@H](C)c1cnccn1	1875377485	FOOCUYKCQYYCAD-RNFRBKRXSA-N	213.668	1.281	50	50	BDGA	
O=C(Cl)COc1ccc([N+](=O)[O-])cc1	5842295	FLUYDOVOMDZUEV-UHFFFAOYSA-N	215.592	1.739	50	50	BDGA	in-vitro
COc1ccc(/C=C(/C#N)C(=O)O)cc1	12366848	KMHNRJDDHTZZDZ-TWGQIWQCSA-N	203.197	1.687	50	50	BDGA	
COC(=O)[C@H](Cc1ccccc1)N=C=O	1436091	JOTMMIYKEOOTNZ-JTQLQIEISA-N	205.213	1.107	50	50	BDGA	in-vitro
C/C(=N\NC(N)=O)c1ccc(Cl)cc1	5480038	NRVQPAZCFBJKNE-WUXMJOGZSA-N	211.652	1.732	50	50	BDGA	
Nc1ccc(S(=O)(=O)CCl)cc1	39270906	QSAPAXHVSIVXPH-UHFFFAOYSA-N	205.666	1.239	50	50	BDGA	
CCCc1ccc(-c2ccc(B(O)O)cc2)cc1	169747783	NOQFUISBLHCDSR-UHFFFAOYSA-N	240.111	1.986	50	50	BDGA	in-vitro
C[C@@H](CC1CCCC1)C(=O)NN(C)[C@@H](C)CO	585089636	SOJRWVWTLFDSDJ-QWRGUYRKSA-N	242.363	1.547	50	50	BDGA	
COc1ccc(OC)c(/C=C(/C#N)C(N)=O)c1	12366736	WQEIGMGVBKSQGL-UITAMQMPSA-N	232.239	1.096	50	50	BDGA	
O=C([C@@H](F)Cl)N1CC[C@]2(CCSC2)C1	2325898284	ZHAPQCAEVOCYBA-APPZFPTMSA-N	237.727	1.876	50	50	BDGA	
N#CC(C#N)=Cc1cc(O)c(O)c(O)c1	57523	YZOFLYUAQDJWKV-UHFFFAOYSA-N	202.169	1.234	50	50	BDGA	in-vivo
C/C(=N\NC(=O)Cc1cccn1C)c1ccco1	4907572	KNJHNFQASHYEDJ-GXDHUFHOSA-N	245.282	1.701	50	50	BDGA	
C[C@H](NC(=O)[C@@H](C)Cl)C1=CCN(C)CC1	1875377782	NLACGOUYGBASJC-BDAKNGLRSA-N	230.739	1.380	50	50	BDGA	
C=CCN(CC=C)C(=O)C(Cl)Cl	1843519	YRMLFORXOOIJDR-UHFFFAOYSA-N	208.088	1.991	50	50	BDGA	biogenic,in-vitro
Cc1cc(C)nc(N2C[C@H](CCl)OC2=O)n1	64864423	WANYDHPJNOXTDI-QMMMGPOBSA-N	241.678	1.657	50	50	BDGA	
CCc1ncc(CN(C)C(=O)CCl)s1	1875363786	ACZDWIITIRBPCT-UHFFFAOYSA-N	232.736	1.903	50	50	BDGA	
CC(C)[C@@H]1CN2CCC[C@H]2CN1C(=O)CCl	1875369919	PZEWQFIREWAPNJ-QWRGUYRKSA-N	244.766	1.556	50	50	BDGA	
CC(=O)N1CCC(Br)CC1	19783708	IJQWPBRRNBHHRW-UHFFFAOYSA-N	206.083	1.392	50	50	BDGA	in-vitro
CC(C)(N)C(=O)NC[C@]1(C)C[C@@H]1Br	1118754432	LAFWRMWYZJTWDZ-RCOVLWMOSA-N	249.152	1.013	50	50	BDGA	
C[C@@](CO)(CNC(=O)CCl)c1ccccc1	1875377261	BDJRCJJHAONNJV-LBPRGKRZSA-N	241.718	1.292	50	50	BDGA	
O=C(Nc1cnn2c1CCCC2)[C@H](F)Cl	2325898080	RMGZOZCNQPRDCE-QMMMGPOBSA-N	231.658	1.692	50	50	BDGA	
CCC[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	5799346	CLWLMCWATYLQAS-SSDOTTSWSA-N	218.260	1.688	50	50	BDGA	in-vitro
COC(=O)N/N=C/c1ccc(NC(C)=O)cc1	1740056	KRDYZSKFHVNJPV-KPKJPENVSA-N	235.243	1.335	50	50	BDGA	
C[C@@H](Cl)C(=O)NCCc1ccc[nH]1	1875377863	PNZDFYFUDWXHJF-SSDOTTSWSA-N	200.669	1.301	50	50	BDGA	
CC(C)(CNC(=O)CCl)N1CCCCC1	1319797985	XRXIRWZACOBOQD-UHFFFAOYSA-N	232.755	1.606	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	712905304	DGRMFPYQWYDGNR-SGIHWFKDSA-N	243.734	1.688	50	50	BDGA	
NNC(=O)c1ccc(-c2ccccc2)cc1	342719	QEUAQXSDDNDOTG-UHFFFAOYSA-N	212.252	1.957	50	50	BDGA	in-vitro
O=C(CBr)Oc1ccccc1	2557065	UEWYUCGVQMZMGY-UHFFFAOYSA-N	215.046	1.987	50	50	BDGA	in-vitro
C[C@H]1CN(C(=O)[C@@H](F)Cl)c2ccnn2C1	2325901409	DWMQIURUSDZPKE-POYBYMJQSA-N	231.658	1.400	50	50	BDGA	
CC1(C)CC(=O)N(CCCl)C(=O)C1	61828104	IVAYVIZWEWNSNC-UHFFFAOYSA-N	203.669	1.400	50	50	BDGA	
CC(=O)NNC(=S)Nc1ccc(C)cc1C	6400347	LGCKRRSSVBLNRA-UHFFFAOYSA-N	237.328	1.641	50	50	BDGA	
IC1CC2(COC2)C1	95630842	AKUIJMJEPKXSAA-UHFFFAOYSA-N	224.041	1.600	50	50	BDGA	in-vitro
OB(O)/C=C/c1ccc(C(F)(F)F)cc1	169876789	BBNQFBHQOPZKTI-AATRIKPKSA-N	215.967	1.731	50	50	BDGA	in-vitro
C/C(=N\NC(=O)C1CC1)c1cccnc1	12343090	JDMFURDTIDPEAJ-MDWZMJQESA-N	203.245	1.332	50	50	BDGA	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN	4750777	JSWSUAXAZWIIAT-SSDOTTSWSA-N	228.679	1.406	50	50	BDGA	in-vitro
NC(=O)c1ccccc1NC(=O)CCCl	6335859	WPIXTCIGKZVENJ-UHFFFAOYSA-N	226.663	1.353	50	50	BDGA	in-vitro
CCCN(C=O)/N=C/c1ccc([N+](=O)[O-])cc1	432515	OQMLNPBLAZOGPF-XYOKQWHBSA-N	235.243	1.797	50	50	BDGA	
[C-]#[N+]CCN1CCN(C(=O)c2ccccc2)CC1	100000326	VZCRCRRMHNKPNF-UHFFFAOYSA-N	243.310	1.364	50	50	BDGA	
C[C@@H](NC(=O)CCl)c1cc2n(n1)CCCC2	1875367822	PSKIJLHWGFMVGP-MRVPVSSYSA-N	241.722	1.635	50	50	BDGA	
CCCNC(=O)/C(C#N)=C\c1ccnc(O)c1	585135798	BZYGIMYBZCKOGJ-POHAHGRESA-N	231.255	1.220	50	50	BDGA	
Nc1nc(CCl)nc(Nc2ccccc2)n1	542346	ZEXYPLRLARKYLF-UHFFFAOYSA-N	235.678	1.936	50	50	BDGA	in-vitro
Cc1cc(C(=O)N/N=C/c2sccc2C)[nH]n1	3903177	UXGLZAWTQNFQCC-WUXMJOGZSA-N	248.311	1.852	50	50	BDGA	
NNC(=O)c1ccc(Cl)cc1Cl	39561	QOJQHOGSXXSMKX-UHFFFAOYSA-N	205.044	1.597	50	50	BDGA	biogenic,in-vitro
CC[C@H](CO)NC1=C(C#N)C(=O)CC(C)(C)C1	100507209	BMTBIFVTRMPZSN-SECBINFHSA-N	236.315	1.514	50	50	BDGA	
N#C/C(=C\c1ccco1)c1nnc(N)s1	5344515	VRQADNMLAKODCF-GQCTYLIASA-N	218.241	1.777	50	50	BDGA	
CCO[Si](OCC)(OCC)c1ccccc1	169743053	JCVQKRGIASEUKR-UHFFFAOYSA-N	240.375	1.942	50	50	BDGA	in-vitro
CN(C)C(=O)N[C@@H]1CCCC[C@@H]1Cl	5508871	QAXQVMSCIIQMJA-JGVFFNPUSA-N	204.701	1.808	50	50	BDGA	
C=CCSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1	3682893	MTCAWEXPGWORMN-QMMMGPOBSA-N	247.323	1.937	50	50	BDGA	
O=C1Nc2ncccc2O[C@@H]1CCCl	1393723	QCXJHKLAPBGIIP-SSDOTTSWSA-N	212.636	1.410	50	50	BDGA	
CC(C)NC(=O)/C(C#N)=C\c1ccc(O)nc1	585136012	MBBWWHYPEYKBEA-YHYXMXQVSA-N	231.255	1.219	50	50	BDGA	
Cn1cc(/C=N/NC(N)=O)c2ccccc21	295078	XCLVIUURVQDJLE-AWNIVKPZSA-N	216.244	1.181	50	50	BDGA	
COc1cccc(OCC(=O)Cl)c1	26470502	TVVBVERHHKVWFG-UHFFFAOYSA-N	200.621	1.839	50	50	BDGA	in-vitro
NNC(=O)[C@H]1Cc2c(ccc3ccccc23)O1	168756	JGYWCTCNNDFZDQ-GFCCVEGCSA-N	228.251	1.133	50	50	BDGA	
C[C@@H](Cl)C(=O)NCC[C@H](O)C(F)(F)F	717323640	PIODQPNWNWRTAZ-UHNVWZDZSA-N	233.617	1.043	50	50	BDGA	
Cc1ncc([N+](=O)[O-])n1CCBr	5425138	HCKPAAMFYJPGMI-UHFFFAOYSA-N	234.053	1.495	50	50	BDGA	
N#CC1=C(S)NC(=O)[C@H](C#N)C12CCCC2	6620360	HCROBLAOUOYRDA-ZETCQYMHSA-N	233.296	1.481	50	50	BDGA	
CC(=O)NNC(=S)Nc1ccc(F)cc1F	6317938	CZEYCJHNDNJZBE-UHFFFAOYSA-N	245.254	1.302	50	50	BDGA	
C[C@H](Cl)C(=O)NCc1csc(N(C)C)n1	1875364611	YJPKCHRZUTUXGW-LURJTMIESA-N	247.751	1.453	50	50	BDGA	
CCc1ccc(OCC(=O)NN)c(Cl)c1	66056279	MZUYADPMMXAAIH-UHFFFAOYSA-N	228.679	1.271	50	50	BDGA	
Cc1ccc(CN2CCC[C@H](C(=O)NN)C2)cc1	23115320	JXYIGATXCSFSEM-ZDUSSCGKSA-N	247.342	1.197	50	50	BDGA	
C[C@@H](Cl)C(=O)NCC12CC(C)(CO1)C2	1875367294	ORFYISBACBBUFT-CUUXFQNZSA-N	217.696	1.299	50	50	BDGA	
C[C@@H]1[C@@H](NC(=O)CCl)CC[C@H](CO)C1(C)C	1875376881	LWLUERZXEHOCLO-BBBLOLIVSA-N	247.766	1.775	50	50	BDGA	
CC(C)N1CCC(=NNC(=O)C2CC2)CC1	5384378	IGXFYHGGOXOLAG-UHFFFAOYSA-N	223.320	1.373	50	50	BDGA	
CCCC(=O)NNC(=O)COc1ccccc1	5857808	MKMFUDWNAILTLN-UHFFFAOYSA-N	236.271	1.013	50	50	BDGA	
Cc1cc(C(=O)N/N=C/c2ccc(O)cc2)n[nH]1	18148468	DQBLABQKAUBDFN-NTUHNPAUSA-N	244.254	1.188	50	50	BDGA	
CC(=O)NNC(=S)Nc1ccc(C)c(C)c1	6401071	IMUYPIKRLCBMFQ-UHFFFAOYSA-N	237.328	1.641	50	50	BDGA	
O=C(O)/C(Cl)=C(\Cl)[C@H](Cl)C(=O)O	19878627	GWHJVKZMKRRHME-ADPODHCWSA-N	233.434	1.452	50	50	BDGA	
O=C(CBr)c1ccccc1O	2383235	SGPKEYSZPHMVNI-UHFFFAOYSA-N	215.046	1.970	50	50	BDGA	in-vitro
O=C(O)Cc1ccc(NC(=O)CCl)cc1	12504935	DMQOFZHHYJUHLL-UHFFFAOYSA-N	227.647	1.491	50	50	BDGA	in-vitro
CC1=C[C@@H]2[C@H]3C=C[C@H]([C@@H]4C(=O)OC(=O)[C@H]43)[C@H]12	254403549	SHNKPHYZJIVILY-LBWRMUMUSA-N	216.236	1.310	50	50	BDGA	
COc1ccc(/C=N/NC(=O)CC#N)cc1	143684	SBZFHVVLMCTTBI-MDWZMJQESA-N	217.228	1.059	50	50	BDGA	biogenic
N#C/C(=C/c1ccc2c(c1)CCC2)C(N)=O	1709570	BCGUVFPXGYUASF-GHXNOFRVSA-N	212.252	1.568	50	50	BDGA	
CC(=O)c1ccc(O)c(CNC(=O)CCl)c1	1440103	YBUIASXSLJQLQA-UHFFFAOYSA-N	241.674	1.450	50	50	BDGA	
C/C(CC(C)(C)O)=N\NC(=O)c1ccco1	71773398	LHWJOPSJPGGTFP-XYOKQWHBSA-N	224.260	1.546	50	50	BDGA	
ON=C(CBr)C(F)(F)F	242495927	GTAMTJKIIPLJSN-UHFFFAOYSA-N	205.961	1.774	50	50	BDGA	
N#CCC(=O)N/N=C/c1cc2ccccc2[nH]1	438249	YXRHGLIVWRCDOR-RIYZIHGNSA-N	226.239	1.532	50	50	BDGA	
O=Cc1cc(C(=O)CBr)ccc1O	22009364	LPSGRBXPXIPMPF-UHFFFAOYSA-N	243.056	1.782	50	50	BDGA	in-vitro
O=C(CCl)N[C@@H]1CCCc2nc[nH]c21	1875377299	BNDTZFXRAPDSAC-SSDOTTSWSA-N	213.668	1.142	50	50	BDGA	
COc1ccccc1OCC(=O)Cl	2578347	VWVRTVRGLRSWEQ-UHFFFAOYSA-N	200.621	1.839	50	50	BDGA	in-vitro
O=C(CCl)NCC1CC2(CCOC2)C1	1875369152	UTOBQZQTRRQYAM-UHFFFAOYSA-N	217.696	1.158	50	50	BDGA	
Cc1cccnc1CCCNC(=O)CCl	693640204	JXTIBUQRDSKNKQ-UHFFFAOYSA-N	226.707	1.678	50	50	BDGA	
Cc1cc(N2CCSSCC2)ncn1	1615540904	UKLJNPQGOIXCJI-UHFFFAOYSA-N	227.358	1.986	50	50	BDGA	
COC(=O)[C@@H](Br)CBr	1699945	ROXQOUUAPQUMLN-VKHMYHEASA-N	245.898	1.318	50	50	BDGA	in-vitro
Cc1cccc(C[C@@H]2CC(=O)OC2=O)c1	100405828	HVWAUPAYQGFPOU-SNVBAGLBSA-N	204.225	1.627	50	50	BDGA	
CCNC(=S)NNC(=O)CC1CCCCC1	6938806	SMKHVMJWYVKGLT-UHFFFAOYSA-N	243.376	1.472	50	50	BDGA	
CCCCC[C@H]1[C@H](CC(=O)NN)CC[C@H]1O	239338764	LEMDCLIXAOKCTJ-GARJFASQSA-N	228.336	1.334	50	50	BDGA	
Cn1cc(C(=O)Cl)c(C(F)(F)F)n1	2527523	KFKVECZQALNWSR-UHFFFAOYSA-N	212.558	1.818	50	50	BDGA	in-vitro
C[C@@]12C[C@@H](C(C#N)=C(N)N1)c1ccccc1O2	244949	MFJLVQPMXNDGLJ-NOZJJQNGSA-N	227.267	1.566	50	50	BDGA	
NNC(=O)c1cc(Cl)ccc1Cl	153665	XECBCXNWGBDIMG-UHFFFAOYSA-N	205.044	1.597	50	50	BDGA	in-vitro
BrCCOCCBr	1586363	FOZVXADQAHVUSV-UHFFFAOYSA-N	231.915	1.793	50	50	BDGA	in-vitro
CC(=O)O[C@@H](CN=C=S)N=C=S	3121645	ZAEAKDFYKQLQHV-LURJTMIESA-N	202.260	1.081	50	50	BDGA	
C[C@@H]1[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21	257357689	PLBCMLQTBDFVQG-ITUJUPEISA-N	244.290	1.924	50	50	BDGA	
CC(C)(C)[Si](C)(C)O[C@H]1CNC(=O)C1	196507282	BEVGOGJIDJYUNN-MRVPVSSYSA-N	215.369	1.897	50	50	BDGA	in-vitro
O=C(CBr)c1cnccn1	2546217	UJIRAGIEBOAGOA-UHFFFAOYSA-N	201.023	1.054	50	50	BDGA	in-vitro
NNC(=O)CSCc1ccccc1F	6829319	RZBJLFXBZHPWMO-UHFFFAOYSA-N	214.265	1.049	50	50	BDGA	
N#C[C@@](O)(c1ccccc1)C(F)(F)F	100046578	FFXHDJHFAYTIHJ-MRVPVSSYSA-N	201.147	1.960	50	50	BDGA	
C[C@@H]1CN(C(=O)[C@@H](F)Cl)c2ccnn2C1	2325901408	DWMQIURUSDZPKE-HTRCEHHLSA-N	231.658	1.400	50	50	BDGA	
Cc1oc(C2CC2)nc1CNC(=O)CCl	1875379907	ZKDAJBRABVGIBX-UHFFFAOYSA-N	228.679	1.715	50	50	BDGA	
C[C@H](NC(=O)CCl)c1ccc2n[nH]cc2c1	1875377137	ADSXOEVTNZQYIH-ZETCQYMHSA-N	237.690	1.979	50	50	BDGA	
Cc1ccccc1-c1ccc(B(O)O)cc1	169844715	ZBZVBPYIBOLGCU-UHFFFAOYSA-N	212.057	1.342	50	50	BDGA	in-vitro
COc1cccc(CNC(=O)CCl)c1	4218984	JFXGGZWVOFOWRL-UHFFFAOYSA-N	213.664	1.550	50	50	BDGA	in-vitro
O=C(N/N=C/c1ccco1)c1cc(C2CC2)[nH]n1	8817251	VKPJUJZSHDLPGU-NTUHNPAUSA-N	244.254	1.644	50	50	BDGA	
O=NN(CCCl)C(=O)NCCCl	3830387	DLGOEMSEDOSKAD-UHFFFAOYSA-N	214.052	1.157	50	50	BDGA	biogenic,fda
Cn1cccc1/C=N/NC(=O)Cc1cccs1	55500	YVTWWSRTUKDMFP-UKTHLTGXSA-N	247.323	1.779	50	50	BDGA	
C[C@@H](Cl)C(=O)NCc1ccn2ccnc2c1	1875363908	DGUBDOCUUQJAFD-MRVPVSSYSA-N	237.690	1.578	50	50	BDGA	
C[C@@H]1CN(C(=O)CCCl)C[C@@H](C)O1	19093742	YBQWWSMRKQHSIL-HTQZYQBOSA-N	205.685	1.251	50	50	BDGA	in-vitro
Cn1nc2c(c1/C=N/NC(=O)CC1CC1)CCC2	2325764984	YPRAQSIUWDNSQH-RIYZIHGNSA-N	246.314	1.159	50	50	BDGA	
CC(=O)c1ccc(NC[C@@H](O)CCl)cc1	333503	BMFNSMSSPHVGAW-NSHDSACASA-N	227.691	1.901	50	50	BDGA	
O=S(=O)(O)CCCCBr	1641088	VYQMBDQMIHMOFX-UHFFFAOYSA-N	217.084	1.049	50	50	BDGA	
Cc1nnc(NC(=O)[C@H](C)Cl)s1	4079092	DVEJDEQJFVLHEF-VKHMYHEASA-N	205.670	1.412	50	50	BDGA	
C[C@@H](Cl)C(=O)NCc1noc2c1CCCC2	1875366054	DEEVNWBJVLIMQU-SSDOTTSWSA-N	242.706	1.797	50	50	BDGA	
OB(O)c1ccc(SC2CCCCC2)cc1	169844735	ABHRFZSOTGVWFL-UHFFFAOYSA-N	236.145	1.791	50	50	BDGA	in-vitro
O=C[C@H](Cl)Cc1ccc([N+](=O)[O-])cc1	2173603	HLWJRKYWLUZVJK-MRVPVSSYSA-N	213.620	1.944	50	50	BDGA	
CS(=O)(=O)c1ccccc1CBr	71783420	ZBLBWTFICJOODX-UHFFFAOYSA-N	249.129	1.985	50	50	BDGA	in-vitro
CC12[C@H]3C4[C@H]1[C@H]1C([C@@H]5C(=O)OC(=O)[C@H]45)[C@H]3C12C	254735159	VSXGOCWVVVTOMM-WQFVLZQMSA-N	230.263	1.080	50	50	BDGA	
CC(C)(C)OC(=O)/C(C#N)=C1\C=CC(N)=CN1	100202705	YNWYGMUXISKLLO-MDZDMXLPSA-N	233.271	1.065	50	50	BDGA	
O=S1(=O)[C@H]2CCCC[C@H]1[C@@H](Cl)[C@@H]2Cl	216370659	XCLTYUCRBZFSLL-RULNZFCNSA-N	243.155	1.941	50	50	BDGA	
C[C@@H](Cl)C(=O)N(C)Cc1noc(C2CC2)n1	1875366146	VCEOWSJMELJRRQ-ZCFIWIBFSA-N	243.694	1.533	50	50	BDGA	
O=C(CCl)NC1([C@H]2CCCO2)CCOCC1	1875368090	PEEUIAZUTRTHLP-SECBINFHSA-N	247.722	1.070	50	50	BDGA	
O=C(CCl)NC[C@]1(CF)CC12CCOCC2	1875370172	DULYIZPGKSWERN-LLVKDONJSA-N	249.713	1.498	50	50	BDGA	
OB(O)c1ccccc1OCc1cccc(F)c1	169877326	OYOSTGWFRFFDLQ-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	in-vitro
ICCC1OCCO1	141925453	QFGHSJVNOHRSNT-UHFFFAOYSA-N	228.029	1.184	50	50	BDGA	
O=C(N/N=C/c1cccs1)c1cc[nH]n1	5044808	GNPNMVVRCFZHEL-IZZDOVSWSA-N	220.257	1.235	50	50	BDGA	
O=C(F)C(F)(F)I	16159156	GJZXYLHNHSDAKH-UHFFFAOYSA-N	223.919	1.510	50	50	BDGA	in-vitro
COC(=O)NNC(=O)Nc1cccc(Cl)c1	292507	SBBRBJGXFAKPJD-UHFFFAOYSA-N	243.650	1.733	50	50	BDGA	
C/C(=N/NC(=O)c1cccc(O)c1)C1CC1	4952332	SJRBZFMKTDUOPA-JYRVWZFOSA-N	218.256	1.908	50	50	BDGA	
CCO[C@H](C)O[C@H](CCl)COC(C)=O	39409608	FEVMWAZUQCLBLI-DTWKUNHWSA-N	224.684	1.556	50	50	BDGA	
Cc1cc(C=C(C#N)C#N)c(C)n1-n1cnnc1	5697632	ZVXBALGVXOSNLM-UHFFFAOYSA-N	238.254	1.438	50	50	BDGA	
C/C(=N\NC(=O)NC(C)C)c1ccc(O)cc1	222165516	HBUOMKVMGOJEIZ-NTEUORMPSA-N	235.287	1.824	50	50	BDGA	
NNC(=O)NC12CC3CC(CC(C3)C1)C2	1467764	OZUYDSURXVXCJV-UHFFFAOYSA-N	209.293	1.128	50	50	BDGA	in-vitro
CCCCC1CCC(C(=O)NNC(N)=O)CC1	4754788	VUTXHWUTGZEMOH-UHFFFAOYSA-N	241.335	1.683	50	50	BDGA	
Cc1nnsc1NC(=O)OCCCl	5534038	FXBAKRRCQCXIDY-UHFFFAOYSA-N	221.669	1.634	50	50	BDGA	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN	286320	JWCIAHXGSIKKMH-LURJTMIESA-N	214.652	1.097	50	50	BDGA	in-vitro
Cn1cccc1CC(=O)N/N=C/c1ccccn1	432833	HBNCBKZVDJZUSO-XNTDXEJSSA-N	242.282	1.113	50	50	BDGA	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@H]3CC[C@H]4C3)[C@@H]12	104292923	WKFRPTFLKPBUEG-NAFDPXLYSA-N	230.263	1.678	50	50	BDGA	
O=C(CCl)NCc1cc(C2CC2)n[nH]1	1875367293	OPIZIZMKPAQIGQ-UHFFFAOYSA-N	213.668	1.142	50	50	BDGA	
O=C(CCl)Nc1ccc2c(c1)OCO2	153692	HBIYZYYNHWRQMC-UHFFFAOYSA-N	213.620	1.593	50	50	BDGA	in-vitro
Cc1nnc(NC(=O)CCCCl)s1	6223779	CSNHGGCMBSRORE-UHFFFAOYSA-N	219.697	1.804	50	50	BDGA	in-vitro
Cc1ccc(C(=O)N/N=C2/CCCN2)cc1	3194808	TXFCVNRENYSAGC-UHFFFAOYSA-N	217.272	1.422	50	50	BDGA	
O=C(Cc1cccs1)N/N=C/c1ccccn1	72772	DOQVAEMFMGLFKS-NTEUORMPSA-N	245.307	1.836	50	50	BDGA	
CCc1nn(C)cc1NC(=O)[C@@H](F)Cl	1875361765	ARGAQOFDNCTXJD-SSDOTTSWSA-N	219.647	1.455	50	50	BDGA	
C=CC(=O)OCCC[Si](C)(OC)OC	169864351	MCDBEBOBROAQSH-UHFFFAOYSA-N	218.325	1.471	50	50	BDGA	
N#CCc1ccc(OC[C@H](O)CCl)cc1	163085107	FABOWIZRCDUJON-SNVBAGLBSA-N	225.675	1.731	50	50	BDGA	
Cc1ccc(S(=O)(=O)CCl)cc1	32325	ZQPJNJKCPJDTIQ-UHFFFAOYSA-N	204.678	1.965	50	50	BDGA	in-vitro
O=C(N/N=C/c1ccncc1)c1ccccc1	130883	IDBRDJFOFNLZRV-XNTDXEJSSA-N	225.251	1.846	50	50	BDGA	
CNC(=O)Oc1ccc(SC#N)c(OC)c1	71774137	JEPPZTJKOAYSNE-UHFFFAOYSA-N	238.268	1.987	50	50	BDGA	
NN(C(=O)c1ccccc1)C1CCOCC1	116519042	LKEIMMRMJYMGOI-UHFFFAOYSA-N	220.272	1.182	50	50	BDGA	
N#CC(C#N)=C(C#N)Nc1ccccc1C(N)=O	2549898	FBLQHVQFJVADAW-UHFFFAOYSA-N	237.222	1.022	50	50	BDGA	
C[C@@H](Nc1cccc2ccccc12)C(=O)NN	34925081	YJWGAHIFLVXWAG-SECBINFHSA-N	229.283	1.630	50	50	BDGA	
O=c1[nH]c2ccccc2n1CCBr	196212732	KDJVKIGAWRJSJK-UHFFFAOYSA-N	241.088	1.725	50	50	BDGA	
O=C(N/N=C\c1ccc[nH]1)c1cccs1	32609518	GCUDKFOETNNDPU-GHXNOFRVSA-N	219.269	1.840	50	50	BDGA	
CSCCC(=O)N1CCSSCC1	388268746	DVAMFIWFTSVHKI-UHFFFAOYSA-N	237.415	1.963	50	50	BDGA	
O=C(CCl)N[C@@H](C1CC1)[C@H]1CCCOC1	723750023	ASCYPIGNZBHREP-ONGXEEELSA-N	231.723	1.547	50	50	BDGA	
OB(O)c1cc2cccc(Cl)c2s1	169928097	MCBCDJNNKDMHKL-UHFFFAOYSA-N	212.466	1.235	50	50	BDGA	in-vitro
CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C	2146719	TYSZETYVESRFNT-UHFFFAOYSA-N	232.280	1.951	50	50	BDGA	in-vitro
NNC(=O)c1sccc1OCc1ccccc1	169871	KOHQGZOPNDFKRX-UHFFFAOYSA-N	248.307	1.931	50	50	BDGA	
O=C(CCl)N1CCCC[C@H]([C@@H]2CCOC2)C1	1334366067	XSARTPUNRMGTRD-WDEREUQCSA-N	245.750	1.890	50	50	BDGA	
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	4456785	RYGTWDAUOUMNRA-YHYXMXQVSA-N	245.234	1.885	50	50	BDGA	
O=C(CBr)c1ccncc1	158594	NAFCUKZZHZYPKB-UHFFFAOYSA-N	200.035	1.659	50	50	BDGA	in-vitro
CN(NC(=O)CN1CCCCC1)c1ccccc1	223901	BVFXACNBXSSFNP-UHFFFAOYSA-N	247.342	1.640	50	50	BDGA	
O=C(O)CCC(=O)N/N=C/c1ccccc1	2968409	LDJQINMJWBYUSU-XYOKQWHBSA-N	220.228	1.002	50	50	BDGA	
CCCC(=O)NNC(=S)NC1CCCC1	6397272	FVIFISMHXHPRII-UHFFFAOYSA-N	229.349	1.224	50	50	BDGA	
CCc1nocc1CN(C)C(=O)[C@H](C)Cl	1875366100	LWGPNXWGYJVLMS-ZETCQYMHSA-N	230.695	1.823	50	50	BDGA	
O=C(CBr)c1ccc2c(c1)OCO2	158541	QBXCVQVFPVXAGS-UHFFFAOYSA-N	243.056	1.993	50	50	BDGA	in-vitro
COc1cccc(NC(=O)CCl)c1OC	8730463	MOFFANLJHKTBKX-UHFFFAOYSA-N	229.663	1.881	50	50	BDGA	
CC(C)N(C(=O)CCl)C1CCNCC1	1875369892	OPTWTFDLOIJKDP-UHFFFAOYSA-N	218.728	1.214	50	50	BDGA	
Cc1cnn([C@H](C)[C@H](C)NC(=O)[C@@H](F)Cl)c1	2325901643	PROCZMQWVAAIHD-DJLDLDEBSA-N	247.701	1.792	50	50	BDGA	
Cc1cc(O[C@H](C)C(=O)NN)ccc1Cl	374954	IGKBZGMXZGEDDJ-SSDOTTSWSA-N	228.679	1.406	50	50	BDGA	in-vitro
CC(=O)c1ccc(NC[C@H](O)CCl)cc1	333502	BMFNSMSSPHVGAW-LLVKDONJSA-N	227.691	1.901	50	50	BDGA	
CCCC(=O)NNC(=O)c1ccccc1C	2051884	HLLFZPDYACOUSI-UHFFFAOYSA-N	220.272	1.556	50	50	BDGA	
COc1cccc(NC(=O)OC(=O)CC#N)c1	101019051	SOCWOXVHHWGJEC-UHFFFAOYSA-N	234.211	1.684	50	50	BDGA	
O=C(CCl)NCc1nc2ccccc2o1	1875374842	HCKGYEKWCDDYEN-UHFFFAOYSA-N	224.647	1.683	50	50	BDGA	
COc1ccc(NC(=O)CCl)cc1OC	3093776	KOBDAPRVHVIWAE-UHFFFAOYSA-N	229.663	1.881	50	50	BDGA	in-vitro
CN(C)/C=C(\C#N)C(=O)N/N=C/c1ccccc1	3190024	AEQHXGCAPYZDPH-WHMVALBYSA-N	242.282	1.106	50	50	BDGA	
O=C(N/N=C/c1ccco1)c1ccccn1	247677	WNDWIYFQLHEAMR-MDWZMJQESA-N	215.212	1.439	50	50	BDGA	
COC[C@]1(NC(=O)[C@@H](C)Cl)CC=CCC1	1875369033	NQVJPNCLSJMQQM-KOLCDFICSA-N	231.723	1.855	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@@H](C)C1=CCN(C)CC1	1875377784	NLACGOUYGBASJC-IUCAKERBSA-N	230.739	1.380	50	50	BDGA	
O=C(CCl)NC[C@]12CCC[C@H]1CCO2	1875368063	NQFMNFYAYHBGNA-WCBMZHEXSA-N	217.696	1.301	50	50	BDGA	
CC(C)Oc1cc(B(O)O)cc(C(F)(F)F)c1	169933768	BPKZAAHUIMXNLY-UHFFFAOYSA-N	248.009	1.172	50	50	BDGA	in-vitro
CCCCC(=O)NC(=O)NNCc1ccccc1	2901892	LHEMTRSTROILEA-UHFFFAOYSA-N	249.314	1.707	50	50	BDGA	
CC[C@]1(C)COCC[C@H]1NC(=O)CCl	1875375128	RTUQAHNWINDPQX-PSASIEDQSA-N	219.712	1.547	50	50	BDGA	
O=C(CCCl)NCCc1ccccc1	2040851	BITWVVLBVUMFHU-UHFFFAOYSA-N	211.692	1.974	50	50	BDGA	in-man
CC(=O)NNC(=O)Cc1ccc(Cl)cc1	8555215	RKTHCSAPCSSNNZ-UHFFFAOYSA-N	226.663	1.050	50	50	BDGA	
CN(C)/C=C(\C#N)C(=O)c1ccccc1	12339960	ZHLDDWYMGDGHRL-PKNBQFBNSA-N	200.241	1.838	50	50	BDGA	
CC(C)c1cc(NC(=O)CCl)[nH]n1	159174744	HSXNQZZYTKBEKJ-UHFFFAOYSA-N	201.657	1.710	50	50	BDGA	
C[C@H](Cl)C(=O)NC1CCC2(CC1)OCCO2	715654342	PASKTJBCXJWOQA-QMMMGPOBSA-N	247.722	1.416	50	50	BDGA	
CC[C@H](C(=O)NN)n1nc(C)c(Cl)c1C	2537602	FGUDMXVDUQKYDS-SSDOTTSWSA-N	230.699	1.094	50	50	BDGA	
O=C(CCl)NC1=NN(c2ccccc2)CC1	1431616	RJYNDTQQAFHGLS-UHFFFAOYSA-N	237.690	1.565	50	50	BDGA	
CN1CCC/C1=C(/C#N)C(=O)OC(C)(C)C	337698	QZLHEZUQISTDAV-MDZDMXLPSA-N	222.288	1.831	50	50	BDGA	
O=C(CCl)Nc1nnc([C@H]2CCCO2)s1	7951854	OIQCAXSBMRGPLU-RXMQYKEDSA-N	247.707	1.567	50	50	BDGA	
CC(=O)NNC(=S)Nc1ccccc1Cl	6317957	GJGRFPDNXNXBLC-UHFFFAOYSA-N	243.719	1.678	50	50	BDGA	
OB(O)c1ccc(OCCCCl)c(Cl)c1	230546487	DJLOECONTZGRNI-UHFFFAOYSA-N	248.902	1.028	50	50	BDGA	
Cc1nc(CNC(=O)CCl)ccc1[C@@H](C)O	1875374664	BYEYPHGYUBFOTA-MRVPVSSYSA-N	242.706	1.298	50	50	BDGA	
CC(C)=NNC(=O)C(=O)Nc1ccc(F)cc1	5008708	YCVOYIWKPVUTEE-UHFFFAOYSA-N	237.234	1.276	50	50	BDGA	
NC(=O)NC(=O)[C@@H](Cl)c1ccccc1	134	LEJPVKTZROTWBE-ZETCQYMHSA-N	212.636	1.161	50	50	BDGA	in-vitro
O=C(N/N=C/c1ccncc1)c1ccco1	42553	DPNJFOZIFNQBHM-MDWZMJQESA-N	215.212	1.439	50	50	BDGA	
CC(=O)[C@H](Cl)C(=O)Nc1ccccc1	169185	LBHYOONLWAWEAA-VIFPVBQESA-N	211.648	1.822	50	50	BDGA	
C[C@@H](Cl)C(=O)NC[C@H]1CC12CCOCC2	1875368211	YRGDTOIJUWJHNR-RKDXNWHRSA-N	231.723	1.547	50	50	BDGA	
Cc1ccc(NC(=O)NNC(=O)CC#N)cc1C	2167197	FSYXVVVPWGKBKP-UHFFFAOYSA-N	246.270	1.370	50	50	BDGA	
CCC(=O)NNC(=S)Nc1ccccc1	6388800	QVKVZOOITUXELT-UHFFFAOYSA-N	223.301	1.414	50	50	BDGA	
Cc1nc2c(NC(=O)CCl)cccn2n1	1875377458	DZQSABAYZOLPEQ-UHFFFAOYSA-N	224.651	1.215	50	50	BDGA	
OB(O)c1cc(Cl)c(Cl)cc1Cl	169747606	FTLYMKDSHNWQKD-UHFFFAOYSA-N	225.267	1.327	50	50	BDGA	in-vitro
N#Cc1ccsc1NC(=O)CCl	334169	ZONGUZTWVAWQDI-UHFFFAOYSA-N	200.650	1.797	50	50	BDGA	in-vitro
CCCCCCOc1ccc(B(O)O)cc1	169745566	XYNVLFGOOWUKQS-UHFFFAOYSA-N	222.093	1.326	50	50	BDGA	in-vitro
COc1cccc(C(=O)N/N=C2\CCCN2)c1	142694	JWZLWUQXSJTENT-UHFFFAOYSA-N	233.271	1.122	50	50	BDGA	
N#Cc1ccccc1-c1ccc(CB(O)O)cc1	170002096	VCIMTAZXYZGMGC-UHFFFAOYSA-N	237.067	1.780	50	50	BDGA	
O=C(CCl)NCCc1ncccc1F	1875378203	XHFQCTLJLYCEPP-UHFFFAOYSA-N	216.643	1.118	50	50	BDGA	
O=C(NCc1cn2ccccc2n1)[C@H](F)Cl	2325898115	SVKMMJMOVOIYDI-VIFPVBQESA-N	241.653	1.485	50	50	BDGA	
O=C([C@H](F)Cl)N1CC[C@@]2(CCSC2)C1	2325898286	ZHAPQCAEVOCYBA-IONNQARKSA-N	237.727	1.876	50	50	BDGA	
Cc1ccc2c(c1)N(C(=O)CCl)CCO2	32117976	IPMHFKFXPGKGKB-UHFFFAOYSA-N	225.675	1.959	50	50	BDGA	
O=[N+]([O-])c1cccc(CBr)n1	196729606	HCYOIAGXVSXBIB-UHFFFAOYSA-N	217.022	1.885	50	50	BDGA	in-vitro
C[C@H](Cl)C(=O)N1CC[C@@H](c2nccn2C)C1	1875378240	XYWCSYMWXJIPAV-DTWKUNHWSA-N	241.722	1.363	50	50	BDGA	
C[C@@H](CC1CCOCC1)NC(=O)CCl	1875364175	HLZAVSKVWMOZMM-QMMMGPOBSA-N	219.712	1.547	50	50	BDGA	
CCOC(=O)/C(C#N)=C/NC(=O)NC(C)(C)C	100205850	OBIIYXBKSAHNLD-BQYQJAHWSA-N	239.275	1.055	50	50	BDGA	
CCCNC(=O)/C(C#N)=C\c1ccc(N)nc1	864086413	DXQKMAHGZMXPNQ-POHAHGRESA-N	230.271	1.097	50	50	BDGA	
C[C@H](Nc1cccc2ccccc12)C(=O)NN	34925080	YJWGAHIFLVXWAG-VIFPVBQESA-N	229.283	1.630	50	50	BDGA	
COCCC1(NC(=O)[C@@H](C)Cl)CCC1	1875376433	WQFXLZMKBDYYET-MRVPVSSYSA-N	219.712	1.689	50	50	BDGA	
O=C1c2ccccc2C(=O)[C@@H](Cl)[C@H]1O	100705985	DOGINPBVOYYUHF-GMSGAONNSA-N	210.616	1.034	50	50	BDGA	
CC(C)(C)OC(=O)N1CCN(CCCl)CC1	19851157	MYOWELLYEZMECA-UHFFFAOYSA-N	248.754	1.778	50	50	BDGA	in-vitro
O=C=NC(=O)CC(Cl)(Cl)Cl	149941424	WKCMLQUUFXQBLM-UHFFFAOYSA-N	202.424	1.609	50	50	BDGA	
Cc1cc(C)n(C(=O)/C(C#N)=C/N(C)C)n1	1395552	BODHNHHQFATQRA-JXMROGBWSA-N	218.260	1.109	50	50	BDGA	
O=C(CCl)NCCCn1cc(Cl)cn1	2774807	JKIGMDLOPDPSQF-UHFFFAOYSA-N	236.102	1.282	50	50	BDGA	
COC(=O)[C@H]1CC[C@H](Br)C1	117650561	NBNSTTSIQITBMQ-WDSKDSINSA-N	207.067	1.723	50	50	BDGA	
C[C@@H](Cl)C(=O)N(C)CC[C@@H]1CCCCN1C	1875364074	HWOALUHDXUPLSL-MNOVXSKESA-N	246.782	1.947	50	50	BDGA	
C[C@@H](c1cnn(C)c1)N(C)C(=O)CCl	710523625	IUBRRUNLHYPEFM-ZETCQYMHSA-N	215.684	1.178	50	50	BDGA	
C#CCN(CC(F)(F)F)C(=O)CCl	308401624	IRZNZZRQGJZYCE-UHFFFAOYSA-N	213.586	1.249	50	50	BDGA	
O=C(C(Cl)Cl)n1nnc2ccccc21	2167227	BZMPDUUOLZEJCA-UHFFFAOYSA-N	230.054	1.875	50	50	BDGA	
O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C(C5CC5)[C@@H]43)[C@H]12	105346971	CFDWKHCYBDTMRV-BEQXCEGASA-N	242.274	1.700	50	50	BDGA	
CCCNC(=O)[C@@H](Br)CC	32919980	PMPILFKTSYNCDL-LURJTMIESA-N	208.099	1.686	50	50	BDGA	
COc1cccc(CN(C)C(=O)[C@H](C)Cl)n1	1875366563	XMTCVNLJWQFKKX-QMMMGPOBSA-N	242.706	1.676	50	50	BDGA	
C[C@H](Cl)C(=O)N[C@H](C)c1ccn(C)n1	1875378248	YDDHFCIDZHWGNC-NKWVEPMBSA-N	215.684	1.225	50	50	BDGA	
O=C=N[C@H](CCc1ccccc1)C(=O)O	757188110	MCAQOTWZSFFMKK-SNVBAGLBSA-N	205.213	1.408	50	50	BDGA	
CCCCc1ccc(OCC(=O)NN)cc1	2892986	OAQAJSRYRGJYOL-UHFFFAOYSA-N	222.288	1.398	50	50	BDGA	
C[C@@H](Cl)C(=O)Nc1cnc2c(c1)COCC2	1875378260	YIDNBRIKKFEWPA-SSDOTTSWSA-N	240.690	1.720	50	50	BDGA	
CC[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	5799726	HRQVPHLDWOQZEI-LURJTMIESA-N	204.233	1.298	50	50	BDGA	in-vitro
CC(C)Oc1ccc(B(O)O)c(Cl)c1Cl	169964734	BZPJKRLRJCMROZ-UHFFFAOYSA-N	248.902	1.460	50	50	BDGA	
CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)NN	6603620	ZZXYXBWECVZXOJ-SECBINFHSA-N	242.706	1.796	50	50	BDGA	
C[C@H]1C(=O)OC(=O)N1C(=O)OCc1ccccc1	97950110	PSOXFYKJSWSUAG-QMMMGPOBSA-N	249.222	1.691	50	50	BDGA	
C[C@H](Cl)C(=O)NC(C)(C)C(=O)N1CCCC1	1875366964	NHWXNBMNBHRKBA-QMMMGPOBSA-N	246.738	1.131	50	50	BDGA	
CCOc1cc(/C=C(\C#N)C(N)=S)ccc1O	278708	AYMXJXDLIQTOGF-WEVVVXLNSA-N	248.307	1.984	50	50	BDGA	
COC(=O)NNC(=O)Nc1ccc(Cl)cc1	492101	UBDKWFUDDRSSOB-UHFFFAOYSA-N	243.650	1.733	50	50	BDGA	
Cc1cnc(F)c(CNC(=O)CCl)c1	1875370544	SUMYRPGMDDMEBX-UHFFFAOYSA-N	216.643	1.384	50	50	BDGA	
Cc1nc(N)nc2c1C[C@@H](CBr)O2	180505	ZYOFSORYWFMTTC-YFKPBYRVSA-N	244.092	1.066	50	50	BDGA	
C=CC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	952883686	YSUFHPMXIJEVRN-BDINMYNLSA-N	216.078	1.024	50	50	BDGA	
C/C(=N/NC(=O)c1ccc(O)cc1)C1CC1	4963972	IMLVQBNDJNXNOL-JYRVWZFOSA-N	218.256	1.908	50	50	BDGA	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(N)=O)C1	4991751	ROYUYJQRQPJMFE-CVZWZAMJSA-N	207.277	1.943	50	50	BDGA	
OB(O)c1cc(F)cc(OCc2ccccc2)c1	169745506	QQOFKMPPQQMUDH-UHFFFAOYSA-N	246.046	1.085	50	50	BDGA	in-vitro
COc1ccc(CNC(=O)CCl)cc1	3289313	JXYSFUCPCITQLI-UHFFFAOYSA-N	213.664	1.550	50	50	BDGA	in-vitro
NNC(=O)c1cc2ccccc2cc1O	133414	FDNAQCWUERCJBK-UHFFFAOYSA-N	202.213	1.149	50	50	BDGA	in-vitro
Cc1nn(C)c(C)c1CBr	54711015	OWJNOVWADAVTRX-UHFFFAOYSA-N	203.083	1.932	50	50	BDGA	
CC1=C/C(=N\NC(N)=O)[C@H]2C[C@H]1C2(C)C	100314852	AMCLRNJZSCFOAC-YHXSJSOESA-N	207.277	1.633	50	50	BDGA	
C[C@H](CSSC[C@H](C)C(=O)O)C(=O)O	2895847	AQLWLHRHIFTILV-OLQVQODUSA-N	238.330	1.809	50	50	BDGA	biogenic
NS(=O)(=O)c1cc(CCl)ccc1F	95831104	KWOSACFECIXZRV-UHFFFAOYSA-N	223.656	1.212	50	50	BDGA	
O=C(CBr)NC1CCCCC1	1689461	VQKRFCPNGGNHNN-UHFFFAOYSA-N	220.110	1.830	50	50	BDGA	in-vitro
Cn1ncc2c(Cl)nc(CCl)nc21	57218615	BOEZZJARMBVNFK-UHFFFAOYSA-N	217.059	1.756	50	50	BDGA	
O=C(NCCBr)C(F)(F)F	1601783	GKMSIJALDVKGQV-UHFFFAOYSA-N	219.988	1.060	50	50	BDGA	
O=C(CCl)NCCCOc1ccccn1	1875369065	XRGXDKRRKGLSSU-UHFFFAOYSA-N	228.679	1.206	50	50	BDGA	
O=C(CCl)NCc1ccc2c(c1)OCO2	161837	PLXGAUGZSOPIIG-UHFFFAOYSA-N	227.647	1.270	50	50	BDGA	in-vitro
CC(C)COc1ccc(C(=O)NN)cc1	2565564	BMAFPTCNYPHNMO-UHFFFAOYSA-N	208.261	1.325	50	50	BDGA	in-vitro
COc1cc(CCN=C=O)cc(OC)c1	2509895	UMPWFSIFZCTJRE-UHFFFAOYSA-N	207.229	1.582	50	50	BDGA	in-vitro
NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1	374083	LDRVFHXEVGRIBM-BDAKNGLRSA-N	210.664	1.433	50	50	BDGA	
OB(O)c1ccc2c(c1)oc1ccccc12	203634809	FQENSZQWKVWYPA-UHFFFAOYSA-N	212.013	1.266	50	50	BDGA	
O=C([C@H](F)Cl)N1CCC(n2cccn2)CC1	2325898652	QEASYSPVAYZARM-VIFPVBQESA-N	245.685	1.581	50	50	BDGA	
Cc1nnsc1[C@@H](C)NC(=O)[C@H](F)Cl	2325898697	VJSVCEHWQGOWSG-CVYQJGLWSA-N	237.687	1.558	50	50	BDGA	
COc1cc(C=C(C#N)C#N)cc(OC)c1O	190060	ZEGOLZJKCSVYBM-UHFFFAOYSA-N	230.223	1.840	50	50	BDGA	
OB(O)CCCCOCc1ccccc1	1772572498	HHGGTSQXLQEGHX-UHFFFAOYSA-N	208.066	1.456	50	50	BDGA	
Cc1cccc(CSCC(=O)NN)c1	6789173	NCTMGRVFAJXGTQ-UHFFFAOYSA-N	210.302	1.218	50	50	BDGA	
CC[C@@H](CO)NC(=O)[C@@H]1CCCSS1	1875388189	PTBDQHBJQVPLCX-YUMQZZPRSA-N	235.374	1.417	50	50	BDGA	
COc1cc(C=C(C#N)C#N)cc(O)c1OC	160515	UBRRSFXCBBCDJX-UHFFFAOYSA-N	230.223	1.840	50	50	BDGA	
NNC(=O)COc1ccccc1-c1ccccc1	436548	PSZZXIHTHWICJX-UHFFFAOYSA-N	242.278	1.722	50	50	BDGA	
COC(=O)/C(C#N)=C/c1cccc(OC(C)=O)c1	5186617	JQSUPCNCIRMRLV-IZZDOVSWSA-N	245.234	1.692	50	50	BDGA	
O=C([C@@H](F)Cl)N1CCC(n2cccn2)CC1	2325898651	QEASYSPVAYZARM-SECBINFHSA-N	245.685	1.581	50	50	BDGA	
CCCCC[C@@H]1[C@@H](O)CC[C@H]1CC(=O)NN	4587573	LEMDCLIXAOKCTJ-DCAQKATOSA-N	228.336	1.334	50	50	BDGA	
CCCCNNC(=O)c1ccc(O)cc1	4795417	HGZLWEWDROWXQO-UHFFFAOYSA-N	208.261	1.427	50	50	BDGA	
O=P(O)(O)CCCCBr	96503528	FXFARGAYPHUQQL-UHFFFAOYSA-N	216.999	1.339	50	50	BDGA	in-vitro
N#C/C(N)=C(\C#N)N=Cc1cccc(Cl)c1	252463543	BKMDREINDHMFQI-OOQWFJINSA-N	230.658	1.976	50	50	BDGA	
C[C@@H](Cl)C(=O)N1CCCc2c(cnn2C)C1	1875366060	FPSXEZKJFBYVPS-MRVPVSSYSA-N	241.722	1.322	50	50	BDGA	
O[C@@H](CBr)c1ccccn1	39258629	JAQYQJPRUALUJH-ZETCQYMHSA-N	202.051	1.510	50	50	BDGA	
O=C(CCl)N1CCN(c2ccccc2)CC1	161544	VHIWWIFXKVGUMK-UHFFFAOYSA-N	238.718	1.574	50	50	BDGA	in-vitro
CC(C)c1ccc(B(O)O)c(Br)c1	169934654	YEHIZUUXYLXRNS-UHFFFAOYSA-N	242.909	1.252	50	50	BDGA	
C[C@@H]1CC(=O)OC(=O)N1C(=O)OC(C)(C)C	32098805	JWGYMRBLFDQUPS-ZCFIWIBFSA-N	229.232	1.679	50	50	BDGA	in-vitro
CCOC(=O)N/N=C/c1ccc(F)cc1	171990	DIWUSECKBMPWNF-KPKJPENVSA-N	210.208	1.906	50	50	BDGA	
C[C@@H](Cl)C(=O)NCC[C@@H](O)C(F)(F)F	717323639	PIODQPNWNWRTAZ-RFZPGFLSSA-N	233.617	1.043	50	50	BDGA	
N#CC(C#N)=Cc1cc(C(=O)CCl)c[nH]1	1390747	CHCWZGMDKOAGNN-UHFFFAOYSA-N	219.631	1.867	50	50	BDGA	
CCCOc1cc(C(F)(F)F)ccc1B(O)O	169955148	AWXCBKBGKWIMNY-UHFFFAOYSA-N	248.009	1.174	50	50	BDGA	
C[C@H](Cl)C(=O)N=c1nc(C(C)(C)C)[nH]s1	1875364777	UAPYPDWGRVGUJB-YFKPBYRVSA-N	247.751	1.823	50	50	BDGA	
NNC(=O)c1cccc(Cl)c1Cl	2597438	BXJDUQVJADYYCG-UHFFFAOYSA-N	205.044	1.597	50	50	BDGA	in-vitro
N#CC1(C#N)C(C#N)(C#N)C1(CCl)CCl	1638477	MMQPRUHHJONZCH-UHFFFAOYSA-N	239.065	1.531	50	50	BDGA	
NNC(=O)c1cc2c(s1)-c1ccccc1OC2	2509870	BYNAEHIZFMTJEU-UHFFFAOYSA-N	246.291	1.911	50	50	BDGA	
CC(C)c1ccccc1O[C@@H](C)C(=O)NN	5913264	VNROMPJDAZOFSX-VIFPVBQESA-N	222.288	1.567	50	50	BDGA	in-vitro
O=C1OC(=O)[C@]23C=CC=C[C@]12CCCC3	101045968	OGQUHSCYTJIKFK-TXEJJXNPSA-N	204.225	1.743	50	50	BDGA	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NN)c1	6272333	GVGAAQALWGAIML-JTQLQIEISA-N	236.315	1.876	50	50	BDGA	
ClCCn1cnc(Br)n1	216629012	VCPJBLCNGZLPTD-UHFFFAOYSA-N	210.462	1.279	50	50	BDGA	
O=C(Cn1cccc1)NNc1ccccc1	5484237	IMTPBWPSGLCALP-UHFFFAOYSA-N	215.256	1.631	50	50	BDGA	
O=C1NCc2c(NC(=O)[C@H](F)Cl)cccc21	2325897987	ORERESMGMLQPGQ-QMMMGPOBSA-N	242.637	1.403	50	50	BDGA	
CCCCOc1ccc2cc(B(O)O)ccc2c1	169888400	IKDHTYIAXFUCTR-UHFFFAOYSA-N	244.099	1.699	50	50	BDGA	in-vitro
CC(C)COc1cc(Cl)cc(B(O)O)c1	169933793	CGTOXTWGSICCOL-UHFFFAOYSA-N	228.484	1.055	50	50	BDGA	in-vitro
O=C(N/N=C/c1ccc(F)cc1)c1cnccn1	549696	BGWQSNBVMOOUBO-FRKPEAEDSA-N	244.229	1.380	50	50	BDGA	
NNC(=O)c1ccccc1Br	156198	PQNLAYLOCZKPIY-UHFFFAOYSA-N	215.050	1.053	50	50	BDGA	in-vitro
O=[N+]([O-])c1ccc(CS(=O)(=O)CCl)cc1	45069216	YURMIKHRCWMRMR-UHFFFAOYSA-N	249.675	1.706	50	50	BDGA	
OB(O)c1cc2sc3ccsc3c2s1	197901025	NCQLXXAFCGRZLW-UHFFFAOYSA-N	240.139	1.857	50	50	BDGA	in-vitro
O=C(N/N=C1\CCCN1)c1ccc([N+](=O)[O-])cc1	142689	MUCPYDLVJBKCBR-UHFFFAOYSA-N	248.242	1.022	50	50	BDGA	
Cn1cc(Br)c(C(=O)Cl)n1	2549377	LTARGXLMISJCPP-UHFFFAOYSA-N	223.457	1.562	50	50	BDGA	
COc1ccc(NC(=O)OC(=O)CC#N)cc1	101018956	IKJVDLIRSUTLPI-UHFFFAOYSA-N	234.211	1.684	50	50	BDGA	
CCN(C)c1cc(CNC(=O)CCl)ccn1	1875364580	OSPIEOJYUDXPPQ-UHFFFAOYSA-N	241.722	1.393	50	50	BDGA	
O=C(CBr)c1nccs1	4277256	AQRFTRDAOYSMEA-UHFFFAOYSA-N	206.064	1.721	50	50	BDGA	in-vitro
CC1([C@H]2COCCN2C(=O)CCl)CC1	1875374623	ANGJCCTVJUNSON-MRVPVSSYSA-N	217.696	1.253	50	50	BDGA	
COC[C@]1(NC(=O)[C@H](C)Cl)CC=CCC1	1875369038	NQVJPNCLSJMQQM-ONGXEEELSA-N	231.723	1.855	50	50	BDGA	
CCCCC(=O)c1ccc(B(O)O)c(C)c1	169951702	WDIQDPYDEQZENV-UHFFFAOYSA-N	220.077	1.048	50	50	BDGA	in-vitro
NNC(=O)Cc1c(Cl)cccc1Cl	2387680	JKMIQRZALCSJNU-UHFFFAOYSA-N	219.071	1.526	50	50	BDGA	in-vitro
NNC(=O)c1ccccc1-n1cccc1	137726	ZPLLLYUFDQNKQE-UHFFFAOYSA-N	201.229	1.081	50	50	BDGA	in-vitro
CN(Cc1noc(C2CC2)n1)C(=O)[C@H](F)Cl	2325898035	QAHWHKYTQJNKAS-ZETCQYMHSA-N	247.657	1.440	50	50	BDGA	
O=C(Cl)c1ccc2c(c1)C(=O)OC2=O	95736201	NJMOHBDCGXJLNJ-UHFFFAOYSA-N	210.572	1.376	50	50	BDGA	
CO[Si](C)(CCCOC[C@@H]1CO1)OC	169806487	WHGNXNCOTZPEEK-SECBINFHSA-N	220.341	1.157	50	50	BDGA	in-vitro
CCOc1cc(/C=C(/C#N)C(N)=O)ccc1O	12366726	XFSKQCUZYWROQP-UITAMQMPSA-N	232.239	1.183	50	50	BDGA	
Cc1n[nH]c(C)c1CCBr	267575	HGGLMDBNLJUEKA-UHFFFAOYSA-N	203.083	1.964	50	50	BDGA	in-vitro
COC(=O)CCCCI	1578511	LTRHTLMOPUYPRM-UHFFFAOYSA-N	242.056	1.765	50	50	BDGA	
ClCc1ncc(Br)cn1	75629394	QSWREPDNZURRPS-UHFFFAOYSA-N	207.458	1.978	50	50	BDGA	
CC(C)(CCl)C(=O)N[C@@H]1CCCNC1	642886494	YPAPEZWPVJGBEI-MRVPVSSYSA-N	218.728	1.120	50	50	BDGA	
NC(=O)N/N=C/c1cc(Br)cs1	224630	JZOFYYASDGJJAH-XNWCZRBMSA-N	248.105	1.513	50	50	BDGA	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCl	2527962	YXMUGXUCSVUONH-UHFFFAOYSA-N	240.602	1.387	50	50	BDGA	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccn[nH]1	3901197	RJBDNSCGIHLYGT-VGOFMYFVSA-N	248.673	1.827	50	50	BDGA	
NN(C(=O)OC1CCCC1)c1ccccn1	757127732	NADLHYWCBKUVJB-UHFFFAOYSA-N	221.260	1.841	50	50	BDGA	
C=CCc1cccc(/C=N/NC(N)=O)c1O	286446	CQBBFCVOGBOXNF-NTUHNPAUSA-N	219.244	1.123	50	50	BDGA	
CC(=O)NNC(=S)Nc1cccc(C)c1C	12410277	ABGOYOIPARYERR-UHFFFAOYSA-N	237.328	1.641	50	50	BDGA	
CCC[C@H](Cl)S(=O)(=O)N1CCOCC1	336373	VZAKXPODXDPZME-MRVPVSSYSA-N	241.740	1.013	50	50	BDGA	
O=C(N/N=C/c1ccco1)c1cccnc1	32463	IROWLQNITQUHLB-MDWZMJQESA-N	215.212	1.439	50	50	BDGA	
O=C(O)C(CCl)(CCl)CCl	1574934	RDRNKIGGASXJAX-UHFFFAOYSA-N	205.468	1.774	50	50	BDGA	in-vitro
CNC(=O)c1ccc(/C=C(\C#N)C(=O)OC)cc1	212798155	YXOZYRCQRKKYFI-YRNVUSSQSA-N	244.250	1.126	50	50	BDGA	
CCOc1ccccc1/C=N/NC(N)=O	3469292	YFBQLAZYMSCHCA-KPKJPENVSA-N	207.233	1.088	50	50	BDGA	
NC(=O)N/N=C1\C[C@@H]2CC[C@@H]3CC[C@H]1[C@@H]23	257346665	ZIHBTTIOZKHGHZ-NDBSJEEASA-N	207.277	1.467	50	50	BDGA	
CCc1nc(SC/C=C(\C)C#N)n[nH]1	1472973436	ZKMRGTXXGBMWDT-QPJJXVBHSA-N	208.290	1.929	50	50	BDGA	
OB(O)c1c(Cl)ccc(Cl)c1Cl	216061104	AOPIKELJCFCNCK-UHFFFAOYSA-N	225.267	1.327	50	50	BDGA	in-vitro