smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#CC1=C(C(F)(F)F)CC(=O)NC1=O	725433903	KSTPCOLSURBHDU-UHFFFAOYSA-N	204.107	0.415	50	30	BCGC	
CC(=O)NC1(C(=O)O)CSSC1	1757717	DUUKNHURFUEEMT-UHFFFAOYSA-N	207.276	0.341	50	30	BCGC	
O=C(CBr)c1ccc[nH]c1=O	39055729	DAAKHIPOICBEDV-UHFFFAOYSA-N	216.034	0.953	50	30	BCGC	
NNC(=O)[C@@H]1CCO[C@H]1c1ccccc1	382360437	NWKLPUKIUCFNBF-ZJUUUORDSA-N	206.245	0.754	50	30	BCGC	
CS(=O)(=O)c1nnc(CCl)s1	39240462	GHXXJKHVCAOHQY-UHFFFAOYSA-N	212.683	0.680	50	30	BCGC	in-vitro
COc1ccc2cc(B(O)O)ccc2c1OC	195871659	MYBGYYPPMQOBIB-UHFFFAOYSA-N	232.044	0.537	50	30	BCGC	
O=C1OCC[C@H]1I	33506159	CXFBCWNSRKBIJU-GSVOUGTGSA-N	211.986	0.737	50	30	BCGC	
CS(=O)(=O)N1CC(CBr)C1	307317613	KXELYSYKYZUVTD-UHFFFAOYSA-N	228.111	0.273	50	30	BCGC	
OB(O)c1cccc(SCC(F)F)c1	196236676	PRMUZXGMCOKPHU-UHFFFAOYSA-N	218.033	0.724	50	30	BCGC	
O=C(NNC(=O)C(F)(F)F)c1ccc[nH]1	1042837	BVZWUIPVJVTENF-UHFFFAOYSA-N	221.138	0.338	50	30	BCGC	
CN(CC(=O)O)N(C(=O)O)C(C)(C)C	39093278	SOBSPYBDTJEFLI-UHFFFAOYSA-N	204.226	0.696	50	30	BCGC	
COc1ccc(S(=O)(=O)N=C=O)cc1	34361465	RGVBEISMHCYSNF-UHFFFAOYSA-N	213.214	0.720	50	30	BCGC	in-vitro
O=C/C=C\NCCc1ccc(O)c(O)c1	100041155	AEFVCQJRSPYONO-KTAJNNJTSA-N	207.229	0.943	50	30	BCGC	
Cc1ccc(OC(F)F)c(B(O)O)c1	197958073	BTZKEKXMBGFJMH-UHFFFAOYSA-N	201.965	0.276	50	30	BCGC	
COc1c(B(O)O)ccc2ccccc12	196811642	AKLWQLDKPYSCMT-UHFFFAOYSA-N	202.018	0.528	50	30	BCGC	
O=C1C[C@@H](CI)CN1	82009225	DOFCYFZAIZKPIY-BYPYZUCNSA-N	225.029	0.558	50	30	BCGC	
NC(=O)[C@@](O)(CBr)c1ccccc1	299805605	WVBAQYPHMYVGOJ-SECBINFHSA-N	244.088	0.754	50	30	BCGC	
Cn1cc(Cl)c(/C=C(\C#N)C(N)=O)n1	77535	OJTSYSZUJDWOAO-GORDUTHDSA-N	210.624	0.466	50	30	BCGC	
COC(=O)[C@H]1CSCN1C(=O)Cl	33637102	CORDKGQLHLMDGC-SCSAIBSYSA-N	209.654	0.893	50	30	BCGC	
CC(C)(C)OC(=O)NN[C@H](O)C(F)(F)F	47844255	RYPUKDFTGCWIMZ-SCSAIBSYSA-N	230.186	0.896	50	30	BCGC	in-vitro
C=C(C#N)CN1CCN(CC(=C)C#N)CC1	20414215	CGVYGVZQPVUVKB-UHFFFAOYSA-N	216.288	0.764	50	30	BCGC	
Cc1cc(C)n(C2=NCCN2C=C(C#N)C#N)n1	1040805	XIFBXZFABLBPDY-UHFFFAOYSA-N	240.270	0.951	50	30	BCGC	
FC(F)(F)Cn1nnc(CCl)n1	98209867	GEPMTTAOIJPLCV-UHFFFAOYSA-N	200.551	0.974	50	30	BCGC	in-vitro
CCOC(=O)NN[C@@]1(C#N)CCSC1	142397	JDGGAVYFIJHYJM-MRVPVSSYSA-N	215.278	0.636	50	30	BCGC	
OB(O)C1=CCN(Cc2ccccc2)CC1	199612898	NGKRHLZAHRCHDN-UHFFFAOYSA-N	217.077	0.831	50	30	BCGC	
CC(=O)N1CCC[C@H]1C(=O)CBr	128858049	UEJJPWPPZUAQJT-ZETCQYMHSA-N	234.093	0.961	50	30	BCGC	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NN)C1	1536221573	PWPORVNQJHDZBS-LJGSYFOKSA-N	229.280	0.280	50	30	BCGC	
COCCOCCOCCOCC(=O)Cl	149414852	HJFVQTISUBPKCS-UHFFFAOYSA-N	240.683	0.448	50	30	BCGC	
C[S@@](=O)CCNC(=O)N(CCCl)N=O	6068418	QRFYQIBEORUKDP-AWEZNQCLSA-N	241.700	0.297	50	30	BCGC	
OC[C@@H]1CO[C@H](CI)O1	2032707	NEIPZWZQHXCYDV-UHNVWZDZSA-N	244.028	0.155	50	30	BCGC	in-man
ClCc1noc(N2CCOCC2)n1	95774200	TZILMPCTOOMYSX-UHFFFAOYSA-N	203.629	0.645	50	30	BCGC	
CCOC(=O)CNC=CC(=C(C#N)C#N)N(C)C	2265270017	VGDQOROYYNFFHW-UHFFFAOYSA-N	248.286	0.516	50	30	BCGC	
CCOC(=O)NN[C@]1(C#N)CCSC1	142400	JDGGAVYFIJHYJM-QMMMGPOBSA-N	215.278	0.636	50	30	BCGC	
Cc1n[nH]c(SC[C@@H](O)CCl)n1	34128411	ONPQEXJXLMGUTF-YFKPBYRVSA-N	207.686	0.805	50	30	BCGC	
O=C(CBr)OC[C@@H]1COCO1	5157234	XIPUPLUONQGLHW-YFKPBYRVSA-N	225.038	0.297	50	30	BCGC	
Cc1noc(-c2c(C)noc2C)c1C(=O)NN	4394466	BZURGNFFJDDUMO-UHFFFAOYSA-N	236.231	0.858	50	30	BCGC	
O=c1c(CCCl)cnc2n1CCC[C@H]2O	114039536	WTKINGFDZAFCLN-MRVPVSSYSA-N	228.679	0.852	50	30	BCGC	
Cn1ncc(C#Cc2ccccc2)c1C(=O)NN	20030669	KVZAOAJIRSZWFE-UHFFFAOYSA-N	240.266	0.423	50	30	BCGC	
NNC(=O)Cn1cc(Cl)c(=O)c(Cl)c1	76267	OPEXKYDWCDIGKJ-UHFFFAOYSA-N	236.058	0.145	50	30	BCGC	
O=S1(=O)CCO[C@H](CBr)C1	253178992	AFBWBJAONQHYEC-RXMQYKEDSA-N	229.095	0.195	50	30	BCGC	
OB(O)c1cc(F)c(F)c(OCC(F)F)c1	196236931	YOWBSHPKPTTYFK-UHFFFAOYSA-N	237.945	0.289	50	30	BCGC	
CCOC(=O)NNC(=S)N[C@H](C)CC	2161323	UBPVTWHRHRXUPQ-ZCFIWIBFSA-N	219.310	0.910	50	30	BCGC	
ClCc1nnc(N2CCOCC2)o1	236022973	GLWGQFVTOBSNAX-UHFFFAOYSA-N	203.629	0.645	50	30	BCGC	
COC(=O)[C@@H]1CSCN1C(=O)Cl	33637100	CORDKGQLHLMDGC-BYPYZUCNSA-N	209.654	0.893	50	30	BCGC	
Cc1cc(C(=O)NNC(=O)NC(C)C)no1	3119896	NZXYULOZLDGIIG-UHFFFAOYSA-N	226.236	0.335	50	30	BCGC	
FC(F)(F)Cn1nnnc1CCl	54743972	CLTBANKSULHLSY-UHFFFAOYSA-N	200.551	0.974	50	30	BCGC	in-vitro
NNC(=O)c1cc(Cl)c(N)c2c1OCCO2	33358717	MNCUHBFRDGZYTA-UHFFFAOYSA-N	243.650	0.297	50	30	BCGC	
CSCOc1ccc(F)c(B(O)O)c1	198065484	ZYLHEWRIQHQGKP-UHFFFAOYSA-N	216.042	0.205	50	30	BCGC	
CC(=O)N/C=C1/C(O)=NC(=O)C(C#N)=C1C	101510516	UWSHKVCVZXRUMB-XBXARRHUSA-N	219.200	0.343	50	30	BCGC	
CN(C)n1cccc1/C=C(\C#N)S(C)(=O)=O	148750	WUAAERMKIALWQT-JXMROGBWSA-N	239.300	0.595	50	30	BCGC	
FC(F)(F)COCCn1nnnc1CCl	82627781	SDMDSLAXDKVLGG-UHFFFAOYSA-N	244.604	0.991	50	30	BCGC	
CC[C@H](O)COC(=O)CBr	33611040	DAIKRYIFVNVKRJ-YFKPBYRVSA-N	211.055	0.695	50	30	BCGC	
O=C1NCC[C@@H](CI)O1	2265381522	XNBVRUAGLFOHKW-BYPYZUCNSA-N	241.028	0.920	50	30	BCGC	
OB(O)c1cccc(F)c1OC(F)F	198065209	YGZOKFFRTBVKTM-UHFFFAOYSA-N	205.928	0.107	50	30	BCGC	
CC(C)(C)OC(=O)N1CCC[C@@H](B(O)O)C1	306988953	GSAYDZRQBQVYNA-MRVPVSSYSA-N	229.085	0.860	50	30	BCGC	
O=c1c2cc([N+](=O)[O-])ccc2nnn1CCl	32236314	KNNURMYVQZKOGN-UHFFFAOYSA-N	240.606	0.896	50	30	BCGC	
O=C(OOOS(=O)(=O)O)c1ccccc1	137216764	OLRVXMLKJJSWMD-UHFFFAOYSA-N	234.185	0.509	50	30	BCGC	
CC(CBr)(C(=O)O)C(=O)O	216866770	YWEPCVCDXPUSGU-UHFFFAOYSA-N	211.011	0.557	50	30	BCGC	
C[C@H]1CN(Cc2ccccc2)C[C@H](C(=O)NN)O1	306743089	WOGUXPOXPGGVPB-CMPLNLGQSA-N	249.314	0.266	50	30	BCGC	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NN	62722518	YEORTSCBVGBQMJ-QMMMGPOBSA-N	237.259	0.291	50	30	BCGC	
Cc1cccc(-c2noc(C(=O)NN)n2)c1	115354	CWYOBIQBUGIUPR-UHFFFAOYSA-N	218.216	0.649	50	30	BCGC	
O[C@@H](CCl)COCCOC[C@@H](O)CCl	5178839	MEBAOCKWPXDTDB-YUMQZZPRSA-N	247.118	0.219	50	30	BCGC	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NN	39094087	WVUSJMQQIHKEMR-UHFFFAOYSA-N	217.269	0.280	50	30	BCGC	
COCCOC(CCl)OCCOC	33637788	SUBSHCJSKRMLPQ-UHFFFAOYSA-N	212.673	0.877	50	30	BCGC	
O=S1(=O)O[C@H](CCl)[C@@H](CCl)O1	72399687	RIWLWZZVVQCXJG-QWWZWVQMSA-N	221.061	0.493	50	30	BCGC	in-vitro
OC[C@H]1CO[C@H](CI)O1	238	NEIPZWZQHXCYDV-WHFBIAKZSA-N	244.028	0.155	50	30	BCGC	in-man
N[C@@H](CSCCBr)C(=O)O	5112874	ZZZHSJCEYPCPAB-BYPYZUCNSA-N	228.111	0.526	50	30	BCGC	
OC[C@H]1CO[C@@H](CI)C1	196390199	MDYCYZOFWQOLMN-NTSWFWBYSA-N	242.056	0.819	50	30	BCGC	
CS(=O)(=O)C1(CBr)CC1	687752358	TWHKTCPOKAZDSI-UHFFFAOYSA-N	213.096	0.959	50	30	BCGC	
OB(O)c1ccc(SCCCF)cc1	198065421	QLAPERAKAKNLTK-UHFFFAOYSA-N	214.070	0.818	50	30	BCGC	
COC(=O)N/N=C/c1c(CO)cnc(C)c1O	3538344	HFPNSYQQJRAWCA-UUILKARUSA-N	239.231	0.278	50	30	BCGC	
Cc1cc(NC(=O)/C(C#N)=C/N(C)C)no1	140944	HZGGDPYUGAAHHJ-SOFGYWHQSA-N	220.232	0.891	50	30	BCGC	
CC(=O)Nc1cc(C(F)(F)F)ccc1B(O)O	604934433	TXFPUYZEFONQKG-UHFFFAOYSA-N	246.981	0.344	50	30	BCGC	
CN(C)NC(=O)c1ccc([N+](=O)[O-])s1	76165	FHQMEEDPQQISCS-UHFFFAOYSA-N	215.234	0.863	50	30	BCGC	
O=C1C[C@H](CI)CN1	82009224	DOFCYFZAIZKPIY-SCSAIBSYSA-N	225.029	0.558	50	30	BCGC	
OB(O)c1cc(OC2CCC2)ccc1F	722024076	ZRQBLSJEIBAKSU-UHFFFAOYSA-N	210.013	0.437	50	30	BCGC	
CN(C)/C=C(\C#N)C(=O)Nc1ccncc1	33381040	DNJXCVNRBQTUSY-CMDGGOBGSA-N	216.244	0.989	50	30	BCGC	
Cc1nc2ncnn2c(O)c1CCCl	95348047	ZKIDYEDQQSIORN-UHFFFAOYSA-N	212.640	0.920	50	30	BCGC	
N=C1CCCN1C[C@@H]1N=CNC(=O)[C@@H]1Cl	223689749	DPBKALBTVDTICR-POYBYMJQSA-N	228.683	0.194	50	30	BCGC	
CS(=O)(=O)N1CCC[C@H](CCl)C1	19783338	JMDTUSVLLOLIHF-SSDOTTSWSA-N	211.714	0.897	50	30	BCGC	in-vitro
CCOC(=O)c1cccc(Cl)c1B(O)O	206056334	ODMVEDIUYDWRGL-UHFFFAOYSA-N	228.440	0.197	50	30	BCGC	
CSCOc1ccc(B(O)O)cc1F	198065447	PCHYHHPNTHQPEP-UHFFFAOYSA-N	216.042	0.205	50	30	BCGC	
N=C(NNC(=O)c1ccco1)c1ccccn1	137094	RXRTUSMOBMXLFG-UHFFFAOYSA-N	230.227	0.935	50	30	BCGC	
COC(=O)[C@H]1CC(=O)[C@H](Br)C1	148641440	ACFRUYSOUKJTTP-RFZPGFLSSA-N	221.050	0.902	50	30	BCGC	
NS(=O)(=O)c1cc(CBr)co1	407985531	HXXQCIPEBVZSMB-UHFFFAOYSA-N	240.078	0.822	50	30	BCGC	
CC(C)(C)OC(=O)NCCCC(=O)NN	90225607	HHKLJPQIOGTFBN-UHFFFAOYSA-N	217.269	0.281	50	30	BCGC	in-vitro
OB(O)c1cc2c(Br)cccc2[nH]1	199618303	VMOZCNGZZJMSBL-UHFFFAOYSA-N	239.865	0.610	50	30	BCGC	
CN(C)/C=N/NC(=O)c1cc(C(C)(C)C)[nH]n1	4338280	CBEYITXBNHQLFE-KPKJPENVSA-N	237.307	0.942	50	30	BCGC	
O=C(Cl)CCS(=O)(=O)CCCl	34120401	KAKDHLJJBBJUHT-UHFFFAOYSA-N	219.089	0.796	50	30	BCGC	
Cc1ncc([N+](=O)[O-])n1CC(=O)Cl	722151264	BRMWGAZKCYUHBH-UHFFFAOYSA-N	203.585	0.865	50	30	BCGC	
COC(=O)[C@@H](C)NNC(=O)OC(C)(C)C	34405791	NRZCDZXAVTXLQE-ZCFIWIBFSA-N	218.253	0.577	50	30	BCGC	
O=C(CBr)[C@@H]1CN2CC[C@H]1C2	39055737	UCRWGQQEKHXERI-NKWVEPMBSA-N	218.094	0.902	50	30	BCGC	
N=C(NNC(=O)c1cccnc1)c1cccnc1	66911	IIWPKEKJLKZWSK-UHFFFAOYSA-N	241.254	0.737	50	30	BCGC	
COCCOCCNC(=O)CBr	82511008	WHQWDYSOGBODBU-UHFFFAOYSA-N	240.097	0.161	50	30	BCGC	
Cn1ccc(N2CC[C@@H](Br)C2=O)n1	68575107	DXBAKQQTSMCBCA-ZCFIWIBFSA-N	244.092	0.920	50	30	BCGC	in-vitro
CNC(=O)NNc1cc(C)c2c(C)nn(C)c2n1	36048353	NNKCJPTYXYZMHO-UHFFFAOYSA-N	248.290	0.841	50	30	BCGC	
NS(=O)(=O)CCCBr	59916852	FYOYUUWBYQOIKW-UHFFFAOYSA-N	202.073	0.060	50	30	BCGC	in-vitro
OC[C@@H]1CO[C@@H](CI)C1	196390193	MDYCYZOFWQOLMN-PHDIDXHHSA-N	242.056	0.819	50	30	BCGC	
CC(=O)NC(=O)/C(C#N)=C/NCc1cccs1	20443724	XKWAYLXNFCIIAO-RMKNXTFCSA-N	249.295	0.908	50	30	BCGC	
O=C(CCCO)NNCc1ccccc1	33864570	DZYDGCADILIVSU-UHFFFAOYSA-N	208.261	0.580	50	30	BCGC	
CCOC(=O)[C@@H](C#N)C(=O)CBr	100287814	BUFHGEFKGPNKQO-YFKPBYRVSA-N	234.049	0.653	50	30	BCGC	
Cc1nc(-c2noc(C(=O)NN)n2)cs1	1047611	WKGFQCYSNKNBKN-UHFFFAOYSA-N	225.233	0.105	50	30	BCGC	
COC(OC)[C@H](Br)C(C)=O	34628937	MEHQUBDHNQTYTI-RXMQYKEDSA-N	211.055	0.958	50	30	BCGC	
IC[C@@]12CO[C@@H](CO1)C2	2265385211	QSRYJMRMNKOEJO-RITPCOANSA-N	240.040	0.979	50	30	BCGC	
CC(C)(C)OC(=O)NNCc1ncc[nH]1	39093658	ZSXAGCUCPFUIDZ-UHFFFAOYSA-N	212.253	0.939	50	30	BCGC	
N#CC(N)=C(C#N)N=C1C(=O)Nc2ccccc21	2265279812	BXKKNDYWVAJCKX-UHFFFAOYSA-N	237.222	0.645	50	30	BCGC	
CC(=O)NNC(=O)c1c(C)nc2cc(C)ccn12	156003	XGFMBEGNIQYDSL-UHFFFAOYSA-N	246.270	0.732	50	30	BCGC	
O=c1c(CCCl)cnc2n1CCC[C@@H]2O	114039537	WTKINGFDZAFCLN-QMMMGPOBSA-N	228.679	0.852	50	30	BCGC	
ClCc1nnnn1C1CCOCC1	54744018	FWVVAFAHAVMSBX-UHFFFAOYSA-N	202.645	0.763	50	30	BCGC	in-vitro
CSCOc1cc(F)ccc1B(O)O	198065459	LWXMOAGDCGSVGP-UHFFFAOYSA-N	216.042	0.205	50	30	BCGC	
O=C(CBr)[C@H]1CN2CC[C@H]1C2	256003706	UCRWGQQEKHXERI-BQBZGAKWSA-N	218.094	0.902	50	30	BCGC	
CNC(=S)NNC(=O)c1ccsc1	126617	AAFGKNBQYKYUCA-UHFFFAOYSA-N	215.303	0.487	50	30	BCGC	
COO[P@](=O)(OC)[C@@H](C)C(=O)OC	238791461	CEUGITAYCRRGET-VPROBKIXSA-N	212.138	0.965	50	30	BCGC	
OB(O)c1cc(OC2CCC2)ccc1Cl	722022713	VGSMQZJILQBTOE-UHFFFAOYSA-N	226.468	0.951	50	30	BCGC	
CC(C)(C)OC(=O)N(N)[C@@H]1CCOC1	108270937	GUYNYYZHKGSASW-SSDOTTSWSA-N	202.254	0.886	50	30	BCGC	
O=[N+]([O-])c1cnc2n1C[C@@H](CCl)O2	3908853	AQUMABWVUSQAOC-SCSAIBSYSA-N	203.585	0.791	50	30	BCGC	
CCCCNC(=O)NNC(=O)c1cc(C)on1	4394307	YVTWZZWXXMBUDF-UHFFFAOYSA-N	240.263	0.727	50	30	BCGC	
O[C@H](CCl)COCCOC[C@H](O)CCl	5178833	MEBAOCKWPXDTDB-HTQZYQBOSA-N	247.118	0.219	50	30	BCGC	
CCOC(=O)[C@H](C)C(C)=NNC(=O)CC#N	380868511	ZSMHTQWMSPUBGA-SSDOTTSWSA-N	225.248	0.591	50	30	BCGC	
O=c1ccc(O)nn1CCBr	19414377	XPEDBBXMRKYWGA-UHFFFAOYSA-N	219.038	0.344	50	30	BCGC	
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NN)O1	306743090	WOGUXPOXPGGVPB-JQWIXIFHSA-N	249.314	0.266	50	30	BCGC	
CN1[C@H](CBr)CCS1(=O)=O	238336947	XNNZWRPZSQVQES-YFKPBYRVSA-N	228.111	0.415	50	30	BCGC	
CC(=O)OC(=O)OOC(=O)OC(C)=O	59340539	JEAIVVDKUUARLF-UHFFFAOYSA-N	206.106	0.301	50	30	BCGC	
OB(O)c1ccc(F)cc1OC(F)F	198065187	SIHYFGBOTCYKPK-UHFFFAOYSA-N	205.928	0.107	50	30	BCGC	
Cn1cnc(C(=O)CBr)c1	236082895	PBIWPQWWPQJCAL-UHFFFAOYSA-N	203.039	0.998	50	30	BCGC	
ClCc1nnnn1CC1CCOCC1	82545186	LKTZQCLOCOEGHC-UHFFFAOYSA-N	216.672	0.839	50	30	BCGC	in-vitro
OB(O)c1ccccc1SC(F)(F)F	201336649	KSFRBBDVEFOBBU-UHFFFAOYSA-N	221.996	0.978	50	30	BCGC	
O=S1(=O)N[C@H](CCl)Nc2ccccc21	26400824	JEBMFUGAWHAZDI-MRVPVSSYSA-N	232.692	0.955	50	30	BCGC	
O=C1CC[C@@H](C(=O)NNc2ccccc2)N1	96328699	YSLFKSXXRVUEMM-VIFPVBQESA-N	219.244	0.408	50	30	BCGC	
Cn1cc(N2CC[C@H](Br)C2=O)cn1	62152045	JMVINFSKEVPFNI-ZETCQYMHSA-N	244.092	0.920	50	30	BCGC	in-vitro
CC(C)(C)C(=O)NNC(=O)c1ccc[nH]1	111613	PLJLNJOIZCMTCB-UHFFFAOYSA-N	209.249	0.822	50	30	BCGC	
COC(=O)C1=C[C@@H](Br)C(=O)N=N1	238383752	MFMRWTKCQQYAMD-GSVOUGTGSA-N	233.021	0.799	50	30	BCGC	
COc1cc(OC(C)C)ccc1B(O)O	213400655	ODGGUPNGTQECKD-UHFFFAOYSA-N	210.038	0.162	50	30	BCGC	
O=S1(=O)CCCN1CCBr	36809225	HBTCMPVZDRHOAM-UHFFFAOYSA-N	228.111	0.417	50	30	BCGC	in-vitro
CS(=O)(=O)/C(C#N)=C/Nc1ncccn1	96139	MXAWSOZGPZZFNY-VOTSOKGWSA-N	224.245	0.298	50	30	BCGC	
C[C@@H](N)C(=O)NN(CCCl)CCCl	2009301	IRAJFZGBAMWVRL-ZCFIWIBFSA-N	228.123	0.144	50	30	BCGC	
O=C=NCCN1C(=O)c2ccccc2C1=O	36155171	MFPVRHMGYPPXOA-UHFFFAOYSA-N	216.196	0.618	50	30	BCGC	
OC[C@@H]1CO[C@@H](CI)O1	2032711	NEIPZWZQHXCYDV-RFZPGFLSSA-N	244.028	0.155	50	30	BCGC	in-man
CC(C)NC(=O)NNC(=O)c1ccc[nH]1	4390444	LGEGFHZYMSGTPW-UHFFFAOYSA-N	210.237	0.367	50	30	BCGC	
CCOC(=O)CC(=NNC(=O)CC#N)C(C)C	2265276477	HOMQGIUCPBPKMP-UHFFFAOYSA-N	239.275	0.981	50	30	BCGC	
O=C(CBr)c1cc(CO)on1	34370756	BVRAYSIQWNEOGH-UHFFFAOYSA-N	220.022	0.745	50	30	BCGC	
CN1CCN(C(=O)CCBr)CC1	41737767	VFGFNJGOJHTGNU-UHFFFAOYSA-N	235.125	0.545	50	30	BCGC	
CN1[C@@H](CBr)CCS1(=O)=O	238329107	XNNZWRPZSQVQES-RXMQYKEDSA-N	228.111	0.415	50	30	BCGC	
O=S1(=O)CCN(CCBr)CC1	40991121	KSLHIPUHZCGRLP-UHFFFAOYSA-N	242.138	0.112	50	30	BCGC	
CC(C)(C)OC(=O)N1CCC[C@H](B(O)O)C1	306988954	GSAYDZRQBQVYNA-QMMMGPOBSA-N	229.085	0.860	50	30	BCGC	
Cc1nc(C(F)(F)F)ccc1B(O)O	238488345	GZOHHVSZSMINLZ-UHFFFAOYSA-N	204.944	0.089	50	30	BCGC	
O=S1(=O)CC(CI)C1	217773245	ANKHRTCLHAZGOL-UHFFFAOYSA-N	246.069	0.466	50	30	BCGC	
CSCOc1c(F)cccc1B(O)O	198065473	JODGQMNUDNXWOR-UHFFFAOYSA-N	216.042	0.205	50	30	BCGC	
CS(=O)(=O)/C(C#N)=C/Nc1cccnc1	6146401	WXYKGDQIRGTZFG-VQHVLOKHSA-N	223.257	0.903	50	30	BCGC	
O=C(CBr)[C@@H]1CCS(=O)(=O)C1	87224495	FEJBIFBZVJBBHS-RXMQYKEDSA-N	241.106	0.385	50	30	BCGC	
Cc1nn(C)c(C)c1NC(=O)/C(C#N)=C\N(C)C	33381596	VHDIKCSEXIRBBX-YFHOEESVSA-N	247.302	0.945	50	30	BCGC	
CO[C@H](COC[C@H]1CO1)[Si](C)(OC)OC	223452442	VUKLJYHNLYQWBB-IUCAKERBSA-N	236.340	0.321	50	30	BCGC	
Cc1noc(-c2ccco2)c1C(=O)NN	164531	YFFQOZOKBFIXRN-UHFFFAOYSA-N	207.189	0.847	50	30	BCGC	
CNC(=O)NNc1nccc(-c2cccnc2)n1	172574	PGRFGNSRLWMPEH-UHFFFAOYSA-N	244.258	0.795	50	30	BCGC	
CN(C(=O)Cl)[C@@H]1CCS(=O)(=O)C1	86889861	NUPTXLMTIZIQNA-RXMQYKEDSA-N	211.670	0.464	50	30	BCGC	in-vitro
CCOC(=O)C(CBr)=NO	252642224	ZKBUGUZPMZDNRT-UHFFFAOYSA-N	210.027	0.775	50	30	BCGC	
CCOC(=O)/C(C#N)=C(\NC)SC	100246813	RXXVKSHDQQDVFX-VOTSOKGWSA-N	200.263	0.867	50	30	BCGC	
CS(=O)(=O)N1CCC[C@@H](CCl)C1	19783337	JMDTUSVLLOLIHF-ZETCQYMHSA-N	211.714	0.897	50	30	BCGC	in-vitro
CCOC(=O)NNC(=S)N[C@@H](C)CC	2161324	UBPVTWHRHRXUPQ-LURJTMIESA-N	219.310	0.910	50	30	BCGC	
CSC(=S)NNC(=O)c1cc(C)on1	118782	USVMCYGYQHGQAM-UHFFFAOYSA-N	231.302	0.865	50	30	BCGC	
COC(=O)[C@@H]1CC(=O)[C@H](Br)C1	148641593	ACFRUYSOUKJTTP-CRCLSJGQSA-N	221.050	0.902	50	30	BCGC	
O=C(Cl)c1cc([N+](=O)[O-])cc[n+]1[O-]	39057210	KQCBMLQHJTWRKM-UHFFFAOYSA-N	202.553	0.607	50	30	BCGC	
COO[P@@](=O)(OC)[C@H](C)C(=O)OC	238791462	CEUGITAYCRRGET-GMAUIZIOSA-N	212.138	0.965	50	30	BCGC	
O=C1CN(Cc2ccccc2)CC(=O)O1	111217520	AJENSPKFRMCYIP-UHFFFAOYSA-N	205.213	0.572	50	30	BCGC	
C#CCNC(=O)CI	82879996	CSMMHDBFJDWUDO-UHFFFAOYSA-N	223.013	0.171	50	30	BCGC	
CS(=O)(=O)/C(C#N)=C/Nc1cnccn1	149009	CJYHZWCJBJAKAD-FNORWQNLSA-N	224.245	0.298	50	30	BCGC	
CC(C)(NC(=O)CCCCl)C(=O)O	35855132	ZBAZVADVPXSZJZ-UHFFFAOYSA-N	207.657	0.985	50	30	BCGC	
CC(C)(C)OC(=O)N1CC(=O)OC(=O)C1	113303582	XNOCWDLRABXTAT-UHFFFAOYSA-N	215.205	0.307	50	30	BCGC	
Cn1c(C=C(C#N)C#N)ccc1S(C)(=O)=O	173098	UHTZXWPVZRXLOC-UHFFFAOYSA-N	235.268	0.859	50	30	BCGC	
OC[C@@H]1CO[C@H](CI)C1	196390175	MDYCYZOFWQOLMN-RITPCOANSA-N	242.056	0.819	50	30	BCGC	
C1CCCNOOOOOONCC1	1070069044	MOFHCANYMHLCMR-UHFFFAOYSA-N	210.186	0.244	50	30	BCGC	
CSc1sc(C(=O)NN)cc1C#N	1037810	AROINSRSXMVJOH-UHFFFAOYSA-N	213.287	0.945	50	30	BCGC	
CC[C@@H](O)COC(=O)CBr	33611039	DAIKRYIFVNVKRJ-RXMQYKEDSA-N	211.055	0.695	50	30	BCGC	
CN(C)n1cccc1/C=N/C(C#N)=C(\N)C#N	148785	SBRRXCCSJLPDMG-TYFZWJSASA-N	228.259	0.322	50	30	BCGC	
CCCCNC(=O)N/N=C(/N)c1ccccn1	33364767	UTRQGUOWHLJJNT-UHFFFAOYSA-N	235.291	0.801	50	30	BCGC	
OB(O)c1cc(Cl)c(Cl)cc1F	200167359	SYNDZDUUSAULAB-UHFFFAOYSA-N	208.812	0.812	50	30	BCGC	
CS(=O)(=O)c1ccc(NC(=O)NN)cc1	34977795	BKCDSMPGPRXRAU-UHFFFAOYSA-N	229.261	0.085	50	30	BCGC	in-vitro
O=C1CSC(=O)N1CCOCCCl	82513445	IFVUBFFPOZLCMD-UHFFFAOYSA-N	223.681	0.937	50	30	BCGC	
Nc1nc(=O)[nH]cc1CBr	39121240	KDKXRDYJIGHMSA-UHFFFAOYSA-N	204.027	0.247	50	30	BCGC	
Nc1nonc1C(=O)CBr	39055422	RDTHUNPXEVYIQS-UHFFFAOYSA-N	205.999	0.229	50	30	BCGC	
CC1=C(CBr)C(=O)NC1=O	38283660	QDOJKQJWLXBRRT-UHFFFAOYSA-N	204.023	0.354	50	30	BCGC	
CC(C)(C)OC(=O)Nc1cc(B(O)O)cs1	202987837	JWCSTSSEVZMQQJ-UHFFFAOYSA-N	243.093	0.775	50	30	BCGC	
[N-]=[N+]=Nc1ccc(C(=O)N(N)C(=O)CN)cc1	200656555	NEKUZLUKXXXCDA-UHFFFAOYSA-N	234.219	0.430	50	30	BCGC	
O=C(CCl)OCC#CCOC(=O)CCl	5178404	GJBMLYJEBNBVPR-UHFFFAOYSA-N	239.054	0.554	50	30	BCGC	
CC(C)(CSS(=O)(=O)O)NCCC#N	31331530	DUDYCTFOKLFKCC-UHFFFAOYSA-N	238.334	0.804	50	30	BCGC	
CC(C)(C)OC(=O)NCCNC(=O)CCl	57528088	SJLMGXDOGORKNK-UHFFFAOYSA-N	236.699	0.866	50	30	BCGC	
O=C(CBr)Nc1cnccn1	75771999	WKCWELSTTLPNKW-UHFFFAOYSA-N	216.038	0.810	50	30	BCGC	in-vitro
CC(=O)OC/C=C(\C=O)COC(C)=O	141716194	NEKPHUYQAAGESS-YCRREMRBSA-N	200.190	0.238	50	30	BCGC	
O=[N+]([O-])c1cnc2n1C[C@H](CCl)O2	3908856	AQUMABWVUSQAOC-BYPYZUCNSA-N	203.585	0.791	50	30	BCGC	
CN(C)/C=C(\C#N)C(=O)Nc1ccccn1	33399586	MZAVEQQBHOTEMN-CMDGGOBGSA-N	216.244	0.989	50	30	BCGC	
CCOC(=O)[C@@H](C)C(C)=NNC(=O)CC#N	380868521	ZSMHTQWMSPUBGA-ZETCQYMHSA-N	225.248	0.591	50	30	BCGC	
CC1(CBr)CS(=O)(=O)C1	1535641177	XAEIZYHESITMPV-UHFFFAOYSA-N	213.096	0.816	50	30	BCGC	
C[C@H](N)C(=O)NN(CCCl)CCCl	2009299	IRAJFZGBAMWVRL-LURJTMIESA-N	228.123	0.144	50	30	BCGC	
CC(=O)Nc1ccc(B(O)O)cc1C(F)(F)F	382636825	PRKCBURYLVVKEX-UHFFFAOYSA-N	246.981	0.344	50	30	BCGC	
ICc1nnn[nH]1	33369625	VEZIOPYRSIVDFC-UHFFFAOYSA-N	209.978	0.135	50	30	BCGC	
O=S1(=O)CCO[C@@H](CBr)C1	253178993	AFBWBJAONQHYEC-YFKPBYRVSA-N	229.095	0.195	50	30	BCGC	
C[C@@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NN)O1	306743091	WOGUXPOXPGGVPB-PWSUYJOCSA-N	249.314	0.266	50	30	BCGC	
O=C(CBr)[C@H]1CCS(=O)(=O)C1	87224497	FEJBIFBZVJBBHS-YFKPBYRVSA-N	241.106	0.385	50	30	BCGC	
Cc1nc(C(=O)NN)c(C(F)(F)F)o1	1042919	YGGOZOIYFUBTMM-UHFFFAOYSA-N	209.127	0.605	50	30	BCGC	
OB(O)C1=CCCN(Cc2ccccc2)C1	204700232	AOTXSRBMRLXIOH-UHFFFAOYSA-N	217.077	0.831	50	30	BCGC	
CNNC(=O)Cc1ccc(OC)c(OC)c1	81951	IIEWJAWFDUVYTN-UHFFFAOYSA-N	224.260	0.497	50	30	BCGC	
OB(O)c1cc(Br)c2cn[nH]c2c1	221290415	XYZVKENQHUPNMW-UHFFFAOYSA-N	240.853	0.005	50	30	BCGC	
NNC(=O)c1cc2cccc3c2n(c1=O)CC3	1741157	FBCJCMQSBAGDKB-UHFFFAOYSA-N	229.239	0.161	50	30	BCGC	
CSCOc1cccc(F)c1B(O)O	198065499	BHMBUSXTLCUFIG-UHFFFAOYSA-N	216.042	0.205	50	30	BCGC	
Cn1ccc(C(=O)CBr)n1	231929161	XPRPNECDGHWSCI-UHFFFAOYSA-N	203.039	0.998	50	30	BCGC	
C[S@](=O)CCNC(=O)N(CCCl)N=O	6068459	QRFYQIBEORUKDP-CQSZACIVSA-N	241.700	0.297	50	30	BCGC	
CCOOC(=O)C1=NO[C@@H](OCC)C=C1	100133181	HHBDVFCXSLZMCR-MRVPVSSYSA-N	215.205	0.786	50	30	BCGC	
COc1ccc(-c2cncc(B(O)O)c2)cc1	203613479	PNDVWBIURRJWIL-UHFFFAOYSA-N	229.044	0.437	50	30	BCGC	in-vitro
CN(C)C(=O)CCSS(C)(=O)=O	2569537	FHYPBDHTWMABHJ-UHFFFAOYSA-N	211.308	0.158	50	30	BCGC	in-vitro
Cc1cccc(B(O)O)c1OC(F)F	198065231	HCNMYMKJTFLPOQ-UHFFFAOYSA-N	201.965	0.276	50	30	BCGC	
OB(O)c1ccc(Cl)c(OC(F)F)c1	202763887	AFPNSZAVNTVOBF-UHFFFAOYSA-N	222.383	0.621	50	30	BCGC	
Nc1nc(N)c2nc(CCl)cnc2n1	5116991	IHJBYRAXZVHUGF-UHFFFAOYSA-N	210.628	0.323	50	30	BCGC	
OC[C@H]1CO[C@@H](CI)O1	2032715	NEIPZWZQHXCYDV-CRCLSJGQSA-N	244.028	0.155	50	30	BCGC	in-man
CC(C)(C)OC(=O)NN[C@@H](O)C(F)(F)F	47844257	RYPUKDFTGCWIMZ-BYPYZUCNSA-N	230.186	0.896	50	30	BCGC	in-vitro
CCO[Si](OCC)(OC(C)=O)OC(C)=O	195765688	ZQSAMWXOYNJGII-UHFFFAOYSA-N	236.296	0.621	50	30	BCGC	
C=CC(=C)[Si]12OCCN(CCO1)CCO2	202262123	RSCHPMJCQGGYMR-UHFFFAOYSA-N	227.336	0.586	50	30	BCGC	
C=CCN1CCN(C(=O)CCl)CC1	20466409	IHZWXEIFXRVJFW-UHFFFAOYSA-N	202.685	0.555	50	30	BCGC	
COC(=O)[C@@H](O)CCCBr	34151901	XRUBEGXHALZNCE-YFKPBYRVSA-N	211.055	0.695	50	30	BCGC	
COO[P@](=O)(OC)[C@H](C)C(=O)OC	238791463	CEUGITAYCRRGET-OLZXVPHOSA-N	212.138	0.965	50	30	BCGC	
Cc1nc[nH]c1C(=O)N/N=C/c1ccncc1	120258	LSTOEQMZJPZBMC-GIDUJCDVSA-N	229.243	0.877	50	30	BCGC	
COC(=O)Cn1cc(CCCl)nn1	82164131	QAVGVMOXEJHIBQ-UHFFFAOYSA-N	203.629	0.232	50	30	BCGC	in-vitro
CC(=O)NCCOCCBr	139760429	SNZFTGWTTWWKHN-UHFFFAOYSA-N	210.071	0.534	50	30	BCGC	in-vitro
Nc1ccccc1C(=O)NNC(=O)c1ccco1	144312	JBEKNJDXRCTPFE-UHFFFAOYSA-N	245.238	0.937	50	30	BCGC	
O=C(Nc1ccccn1)c1cccc(B(O)O)c1	382646996	ZWLNCTKSPAGVIT-UHFFFAOYSA-N	242.043	0.014	50	30	BCGC	
O=C(CBr)C1CCNCC1	34520495	IHWRSZRSWYJNRO-UHFFFAOYSA-N	206.083	0.950	50	30	BCGC	in-vitro
NNC(=O)C(F)(F)Oc1ccccc1	71372444	JWDTXSAYESWOSM-UHFFFAOYSA-N	202.160	0.648	50	30	BCGC	in-vitro
Cc1cc(-c2onc(C)c2C(=O)NN)no1	122672	DQIABXGPBIBXTH-UHFFFAOYSA-N	222.204	0.550	50	30	BCGC	
COCCS(=O)(=O)CCCBr	35321777	PXDYKWORINBEHV-UHFFFAOYSA-N	245.138	0.833	50	30	BCGC	in-vitro
CS(=O)(=O)N1CC[C@@H](Br)C1	87748891	LYGYJYCVIOQGHV-RXMQYKEDSA-N	228.111	0.415	50	30	BCGC	
O[SiH](c1ccccc1)c1ccccc1	195765016	VDRQNMNLNVOILV-UHFFFAOYSA-N	200.313	0.517	50	30	BCGC	
COC(=O)[C@H](C)NNC(=O)OC(C)(C)C	34405790	NRZCDZXAVTXLQE-LURJTMIESA-N	218.253	0.577	50	30	BCGC	
CCOCCNC(=O)CBr	38812539	IJDKXBADDOCHCT-UHFFFAOYSA-N	210.071	0.534	50	30	BCGC	in-vitro
Cn1nccc1C(=O)CBr	87224637	KXJKZURCKGHUCW-UHFFFAOYSA-N	203.039	0.998	50	30	BCGC	
COC[C@@H](C)NC(=O)NC(=O)CCl	36904883	XXZWMRISCOUUMK-RXMQYKEDSA-N	208.645	0.086	50	30	BCGC	
NNC(=O)c1n[nH]c2ccc(Cl)cc12	89195935	XQFHKPMDVNQYJW-UHFFFAOYSA-N	210.624	0.820	50	30	BCGC	
O=C1Cc2ccc([N+](=O)[O-])cc2C(=O)O1	115820076	BGASVHXIJWUJNM-UHFFFAOYSA-N	207.141	0.834	50	30	BCGC	
COC(=O)[C@H](O)CCCBr	34151900	XRUBEGXHALZNCE-RXMQYKEDSA-N	211.055	0.695	50	30	BCGC	
CS(=O)(=O)CCI	80085839	MNZXVIVVEANNOZ-UHFFFAOYSA-N	234.058	0.466	50	30	BCGC	
Cn1nc2nnsc2c1C(=O)Cl	39057172	VPDUQWYGTQJHTP-UHFFFAOYSA-N	202.626	0.804	50	30	BCGC	
COc1ccc(OCCC(=O)NN)cc1	137320	KKSDTWMYXWNKIC-UHFFFAOYSA-N	210.233	0.454	50	30	BCGC	
C=CCCCOc1cccc(B(O)O)c1	196188858	GSASHHJLIBDUQM-UHFFFAOYSA-N	206.050	0.711	50	30	BCGC	
Cc1c(S(N)(=O)=O)c(CCl)nn1C	585670049	AKNMWUMVGQLNHO-UHFFFAOYSA-N	223.685	0.115	50	30	BCGC	
CS(=O)(=O)OC[C@H](F)Br	2265385382	QIKILFCCLWQMKH-VKHMYHEASA-N	221.047	0.653	50	30	BCGC	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NN)C1	1535642565	PWPORVNQJHDZBS-KNVOCYPGSA-N	229.280	0.280	50	30	BCGC	
Cc1ccc(B(O)O)cc1OC(F)F	198065199	WVVOHJNTNLIDIK-UHFFFAOYSA-N	201.965	0.276	50	30	BCGC	
Cc1cc(C(=O)NN)cc(Br)n1	45817254	WPPIXMGCGJAAGU-UHFFFAOYSA-N	230.065	0.756	50	30	BCGC	
O=C(CBr)OC[C@H]1COCO1	5134901	XIPUPLUONQGLHW-RXMQYKEDSA-N	225.038	0.297	50	30	BCGC	
CCn1nc(CC(=O)NN=C(C)C)nc1C	33814615	HCFCFXAWSPJJHO-UHFFFAOYSA-N	223.280	0.661	50	30	BCGC	
COC(=O)[C@@H]1CC(=O)[C@@H](Br)C1	148641894	ACFRUYSOUKJTTP-WHFBIAKZSA-N	221.050	0.902	50	30	BCGC	
COC(OC)[C@@H](Br)C(C)=O	34628936	MEHQUBDHNQTYTI-YFKPBYRVSA-N	211.055	0.958	50	30	BCGC	
NC(=O)[C@](O)(CBr)c1ccccc1	299805606	WVBAQYPHMYVGOJ-VIFPVBQESA-N	244.088	0.754	50	30	BCGC	
COC(=O)C1=C[C@H](Br)C(=O)N=N1	238311433	MFMRWTKCQQYAMD-VKHMYHEASA-N	233.021	0.799	50	30	BCGC	
COC(=O)[C@@H]1CN(C(=O)Cl)CCO1	725627556	IJHYOOWDPYDGDF-YFKPBYRVSA-N	207.613	0.219	50	30	BCGC	
COCCCNC(=O)/C(C#N)=C/N(C)C	3170874	YDBAUJRBSSFFFM-CMDGGOBGSA-N	211.265	0.108	50	30	BCGC	
C[C@@H](Cl)C(=O)n1cc(F)c(O)nc1=O	39054660	VWXMVCHUJAEQHB-GSVOUGTGSA-N	220.587	0.356	50	30	BCGC	
COC(=O)[C@H]1CC(=O)[C@@H](Br)C1	148641732	ACFRUYSOUKJTTP-UHNVWZDZSA-N	221.050	0.902	50	30	BCGC	
COO[P@@](=O)(OC)[C@@H](C)C(=O)OC	238791460	CEUGITAYCRRGET-QSGQRGAGSA-N	212.138	0.965	50	30	BCGC	
NNC(=O)c1csc(-c2ccncc2)n1	172322	RXWBLTAJBZBXLA-UHFFFAOYSA-N	220.257	0.809	50	30	BCGC	
C=CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O	195765029	XRLWQTOZMISADO-UHFFFAOYSA-N	246.291	0.801	50	30	BCGC	
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)NN	38804376	BEWRDPRNRXORQO-UHFFFAOYSA-N	241.251	0.229	50	30	BCGC	
CCOC(=O)CC(CCl)=NNC(=O)CC#N	254412087	IHTUMGBYYMTYIZ-UHFFFAOYSA-N	245.666	0.564	50	30	BCGC	
O=C1NCC[C@H](CI)O1	2265381523	XNBVRUAGLFOHKW-SCSAIBSYSA-N	241.028	0.920	50	30	BCGC	
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NN)O1	306743092	WOGUXPOXPGGVPB-ZYHUDNBSSA-N	249.314	0.266	50	30	BCGC	
N#Cc1cccnc1NNC(=O)CCC(=O)O	151303	DRXORRQYDIIHTN-UHFFFAOYSA-N	234.215	0.261	50	30	BCGC	
N=C1CCCN1C[C@H]1N=CNC(=O)[C@@H]1Cl	223689693	DPBKALBTVDTICR-HTRCEHHLSA-N	228.683	0.194	50	30	BCGC	
CC(=O)NCC(=O)N(CCCl)CCCl	1693831	BRVMSVLWRSTNBR-UHFFFAOYSA-N	241.118	0.429	50	30	BCGC	
Cn1ccc(N2CC[C@H](Br)C2=O)n1	68575106	DXBAKQQTSMCBCA-LURJTMIESA-N	244.092	0.920	50	30	BCGC	in-vitro
Cc1nn(C)c2sc(C(=O)NN)cc12	82696	NEQROPWNYUVRQC-UHFFFAOYSA-N	210.262	0.547	50	30	BCGC	
Cc1n[nH]c(SC[C@H](O)CCl)n1	34128409	ONPQEXJXLMGUTF-RXMQYKEDSA-N	207.686	0.805	50	30	BCGC	
COC(=O)C[C@H](Br)C(=O)O	39149581	AZAOWIVCNSVXSE-VKHMYHEASA-N	211.011	0.398	50	30	BCGC	
C/C(=C\C#N)NC(=O)c1nccnc1C(=O)O	1031126	MFMDTPNRODRBBK-QHHAFSJGSA-N	232.199	0.332	50	30	BCGC	
CCOC(=O)N/N=C/c1csnn1	1046219	DUQHMWSFFDMMPN-XVNBXDOJSA-N	200.223	0.618	50	30	BCGC	
CO[C@@H](COC[C@H]1CO1)[Si](C)(OC)OC	223452385	VUKLJYHNLYQWBB-DTWKUNHWSA-N	236.340	0.321	50	30	BCGC	
OB(O)c1ccc(C2(C(F)(F)F)CC2)cc1	205048467	YILYOGIQBGTATO-UHFFFAOYSA-N	229.994	0.960	50	30	BCGC	
CSC(=S)NNC(=O)c1cc(C)n[nH]1	118776	HHKZQWVLLDHFSL-UHFFFAOYSA-N	230.318	0.600	50	30	BCGC	
COC(=O)C1=NO[C@H](CBr)C1	88611524	RQMDBXDIAPHXMC-BYPYZUCNSA-N	222.038	0.699	50	30	BCGC	in-vitro
Cc1noc(C)c1C(=O)NNC(=O)c1ccc[nH]1	111610	NKKVWZXAFRIMOP-UHFFFAOYSA-N	248.242	0.694	50	30	BCGC	
CO[C@H](COC[C@@H]1CO1)[Si](C)(OC)OC	223452323	VUKLJYHNLYQWBB-BDAKNGLRSA-N	236.340	0.321	50	30	BCGC	
COC[C@H](C)NC(=O)NC(=O)CCl	36904882	XXZWMRISCOUUMK-YFKPBYRVSA-N	208.645	0.086	50	30	BCGC	
CC(CC(=O)C(F)(F)F)=NNC(=O)CC#N	254429055	SDGRECJRTKVUOW-UHFFFAOYSA-N	235.165	0.914	50	30	BCGC	
O=C(O)C1(C(=O)O)CC(Br)C1	90548764	LTDLFBABDAEPPQ-UHFFFAOYSA-N	223.022	0.699	50	30	BCGC	
O=C(O)c1cnn2c(O)cc(CCl)nc12	379739273	ZFGBPBSOSANMOB-UHFFFAOYSA-N	227.607	0.872	50	30	BCGC	
CNC(=S)NNC(=O)Cc1ccsc1	120977	ZYFQYLDGAWIUHY-UHFFFAOYSA-N	229.330	0.416	50	30	BCGC	
[N-]=[N+]=CC(=O)C(=O)Oc1ccc([N+](=O)[O-])cc1	95696897	VCRPKWLNHWPCSR-UHFFFAOYSA-N	235.155	0.370	50	30	BCGC	
CC(C)(C)OC(=O)NNC1CCNCC1	117091509	MXMNIQCGKFKLPN-UHFFFAOYSA-N	215.297	0.768	50	30	BCGC	
N=C(NNC(=O)c1cccnc1)c1ccccn1	66908	JEMSSRZOETXZJG-UHFFFAOYSA-N	241.254	0.737	50	30	BCGC	
N#CC(N)=C(C#N)N=Cc1ccc(O)c(O)c1	2265279830	WLDONRITHRLRFA-UHFFFAOYSA-N	228.211	0.734	50	30	BCGC	
CNC(=S)NNC(=O)c1csc(C)n1	120911	WLSKPXPIKXUVEP-UHFFFAOYSA-N	230.318	0.190	50	30	BCGC	
N#CCC(=O)NNC(=S)NC1CCCC1	3120565	XZGBOQVOBVYLTM-UHFFFAOYSA-N	226.305	0.338	50	30	BCGC	
Cc1cc(B(O)O)cnc1N1CCCCC1	202686573	HJXMRPKHKQLLQO-UHFFFAOYSA-N	220.081	0.060	50	30	BCGC	
NNC(=O)CSc1nc2cccnc2s1	80764	CSHIZPUSMABMPK-UHFFFAOYSA-N	240.313	0.773	50	30	BCGC	
CC(C)(C)OC(=O)CC[C@H]1NC(=O)OC1=O	59715429	HUCGXHMGDPFJQK-ZCFIWIBFSA-N	229.232	0.743	50	30	BCGC	
CCOC(=O)[C@H](C#N)C(=O)CBr	100287817	BUFHGEFKGPNKQO-RXMQYKEDSA-N	234.049	0.653	50	30	BCGC	
Cc1noc(C(C=O)=CN(C)C)c1[N+](=O)[O-]	15857349	JRHRBGIOWSPJRS-UHFFFAOYSA-N	225.204	0.993	50	30	BCGC	
O=CNNC(=O)c1nc2ccccc2s1	45237589	VKGGSAMZZRVRAX-UHFFFAOYSA-N	221.241	0.687	50	30	BCGC	
NNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1	96300721	ZWGHWEDOLSRQTF-NXEZZACHSA-N	206.245	0.549	50	30	BCGC	
Cn1cc(N2CC[C@@H](Br)C2=O)cn1	62152046	JMVINFSKEVPFNI-SSDOTTSWSA-N	244.092	0.920	50	30	BCGC	in-vitro
CCOC(=O)CC(=NNC(N)=O)C(F)(F)F	254472470	OVNHRBNCGUROME-UHFFFAOYSA-N	241.169	0.526	50	30	BCGC	
C[C@H](NC(=O)N(CCCl)N=O)C(=O)O	5734674	ORNLZEDGUXUSMV-BYPYZUCNSA-N	223.616	0.391	50	30	BCGC	
O[C@H](CCl)COCCOC[C@@H](O)CCl	95903946	MEBAOCKWPXDTDB-OCAPTIKFSA-N	247.118	0.219	50	30	BCGC	
O=S1(=O)CC[C@@H](CBr)C1	82999020	WIWBGPFHCBCIHT-YFKPBYRVSA-N	213.096	0.816	50	30	BCGC	in-vitro
O=C(CCCO)NN=Cc1ccccc1	8615548	SOLNQGVBZKBMOI-UHFFFAOYSA-N	206.245	0.909	50	30	BCGC	
O=NN(CCCl)C(=O)NCCCO	5113483	SZRUDGOANPYZEE-UHFFFAOYSA-N	209.633	0.301	50	30	BCGC	
COc1nc(OC)nc(OOC(C)(C)C)n1	100415892	PCUXAOGRPUHYKH-UHFFFAOYSA-N	229.236	0.998	50	30	BCGC	
O=C(O)Cn1cc(CCBr)nn1	1254090494	NWNLREICJHGLCA-UHFFFAOYSA-N	234.053	0.300	50	30	BCGC	
C/C(=N/NC(=O)C#N)c1cc(O)ccc1O	100252269	MHOGMVHLSZCAST-SDQBBNPISA-N	219.200	0.462	50	30	BCGC	
COC(=O)C1=NO[C@@H](CBr)C1	88611525	RQMDBXDIAPHXMC-SCSAIBSYSA-N	222.038	0.699	50	30	BCGC	in-vitro
COC(=O)[C@H]1CN(C(=O)Cl)CCO1	885941138	IJHYOOWDPYDGDF-RXMQYKEDSA-N	207.613	0.219	50	30	BCGC	
CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	143446	RDXCMJKLFYREGE-UHFFFAOYSA-N	223.188	0.376	50	30	BCGC	
CC(C)(C)[C@@H]1OCCC[C@H]1C(=O)NN	306866413	NXBRBSPOMTXFJP-HTQZYQBOSA-N	200.282	0.818	50	30	BCGC	
COC(=O)[C@H](CSCCCl)NC(C)=O	1853662	KJBPUKJOQNOICM-ZETCQYMHSA-N	239.724	0.636	50	30	BCGC	
CC(=O)N1CCN(C(=O)CBr)CC1	41711339	WURSUKHWYZCOLH-UHFFFAOYSA-N	249.108	0.072	50	30	BCGC	
O=S1(=O)N[C@@H](CCl)Nc2ccccc21	26400829	JEBMFUGAWHAZDI-QMMMGPOBSA-N	232.692	0.955	50	30	BCGC	
CN(C(=O)Cl)[C@H]1CCS(=O)(=O)C1	86889863	NUPTXLMTIZIQNA-YFKPBYRVSA-N	211.670	0.464	50	30	BCGC	in-vitro
CCOCCOC(=O)CBr	5858959	PDBWYOYFNRASDC-UHFFFAOYSA-N	211.055	0.961	50	30	BCGC	
O=C1N[C@H](Cc2ccc(O)cc2)C(=O)O1	100062038	HOEAPYNDVBABMC-MRVPVSSYSA-N	207.185	0.570	50	30	BCGC	
CCOC(=O)/C(C#N)=C1\NC=CC=C1OC(C)=O	4351536	UCXXBHVCJSSCAR-LUAWRHEFSA-N	248.238	0.891	50	30	BCGC	
CC(=O)O[C@H]1C=C(C#N)OC[C@H]1OC(C)=O	44171550	KMXDTKJIUISDND-VHSXEESVSA-N	225.200	0.287	50	30	BCGC	
CC(=O)OCC(C)(COC(C)=O)C(=O)Cl	142007299	ZZNTYUTVZBEQIB-UHFFFAOYSA-N	236.651	0.884	50	30	BCGC	
OB(O)c1cc2ccc(Br)cc2[nH]1	199622822	COORERMYBMLRQQ-UHFFFAOYSA-N	239.865	0.610	50	30	BCGC	
N[C@H]1C[C@@H](C(=O)O)C[C@@H]1Br	13805305	UTQCSPOAKAVXDK-YUPRTTJUSA-N	208.055	0.572	50	30	BCGC	
OB(O)c1cc(F)cc(F)c1OCC(F)F	196236960	VWDSCWROUYCJLL-UHFFFAOYSA-N	237.945	0.289	50	30	BCGC	
Cc1nc(N(C)C)cc2c1C(=O)OC2=O	238856626	WPUDUICHBHFJHI-UHFFFAOYSA-N	206.201	0.767	50	30	BCGC	in-vitro
Cn1nc(O)cc1C(=O)N/N=C/c1ccccc1	164612	CRQYFUADNUAVPJ-MDWZMJQESA-N	244.254	0.890	50	30	BCGC	
O=C1OCC[C@@H]1I	33506160	CXFBCWNSRKBIJU-VKHMYHEASA-N	211.986	0.737	50	30	BCGC	
CC(C)(C)OOC(=O)/C=C\C(=O)OO	111396854	RBZDHWBQZNJHBZ-PLNGDYQASA-N	204.178	0.832	50	30	BCGC	
O=S(=O)(CBr)N1CCOCC1	1606170	PUAIXHZIMYTCKF-UHFFFAOYSA-N	244.110	0.001	50	30	BCGC	
CCS(=O)(=O)NCCCBr	36721528	ZKGNGNAOOLVCIJ-UHFFFAOYSA-N	230.127	0.711	50	30	BCGC	in-vitro
CC(C)CN(CC(=O)NN)CC(C)C	2035969	OFJSNTDWKDOLCT-UHFFFAOYSA-N	201.314	0.590	50	30	BCGC	
N#CC1=C(C#N)C(=O)c2cc(N)ccc2C1=O	25726385	MYCVUNAQKAEDER-UHFFFAOYSA-N	223.191	0.992	50	30	BCGC	
N=C1CCCN1C[C@@H]1N=CNC(=O)[C@H]1Cl	216084949	DPBKALBTVDTICR-XPUUQOCRSA-N	228.683	0.194	50	30	BCGC	
O=C1Cn2cc(Br)cc2C(=O)O1	642882253	KDIZECGVNORCGC-UHFFFAOYSA-N	230.017	0.948	50	30	BCGC	
CS(=O)(=O)N1CC[C@H](Br)C1	87748889	LYGYJYCVIOQGHV-YFKPBYRVSA-N	228.111	0.415	50	30	BCGC	
C[C@H](Cl)C(=O)n1cc(F)c(O)nc1=O	39054659	VWXMVCHUJAEQHB-VKHMYHEASA-N	220.587	0.356	50	30	BCGC	
CS(=O)(=O)OC[C@@H](F)Br	2265385381	QIKILFCCLWQMKH-GSVOUGTGSA-N	221.047	0.653	50	30	BCGC	
O=C(CBr)NOCC(F)(F)F	72190273	GKMPAMACLNOVMB-UHFFFAOYSA-N	235.987	0.991	50	30	BCGC	
COC(=O)C1(CCl)CN(C2CC2)C1	1535541724	HOYCBSUMMDOXPI-UHFFFAOYSA-N	203.669	0.863	50	30	BCGC	
NNC(=O)c1c(N)ccc2ncccc12	39119570	NABOTXCRNJLIMC-UHFFFAOYSA-N	202.217	0.421	50	30	BCGC	
O=C1C[C@H]2[C@@H]1C[C@@H](O)[C@@H]2Br	136296419	PZDPQFNHGDOCGG-VEVTUDRCSA-N	205.051	0.720	50	30	BCGC	
CCOC(=O)/C(CBr)=N/OC	39429539	HKKNVZIWTKMDLH-VMPITWQZSA-N	224.054	0.947	50	30	BCGC	
N=C1CCCN1C[C@H]1N=CNC(=O)[C@H]1Cl	216084994	DPBKALBTVDTICR-SVRRBLITSA-N	228.683	0.194	50	30	BCGC	
OB(O)c1ccc(CC(F)(F)F)cc1	204241305	IJZNSWFRKKSGDM-UHFFFAOYSA-N	203.956	0.471	50	30	BCGC	
NNC(=O)C1CCN(Cc2cccnc2)CC1	171173	UBDNCALCAVYODC-UHFFFAOYSA-N	234.303	0.284	50	30	BCGC	
CN(C)S(=O)(=O)CBr	39194087	MVZNJIOTIDUDMN-UHFFFAOYSA-N	202.073	0.230	50	30	BCGC	
CCOC(=O)CC(C)=NNC(=O)CC#N	382074831	CXUGZGIHAHXPDE-UHFFFAOYSA-N	211.221	0.345	50	30	BCGC	
CSCOc1ccc(F)cc1B(O)O	198065432	AMTQOWVPOILCTO-UHFFFAOYSA-N	216.042	0.205	50	30	BCGC	
CC(=O)OC1=CC=CNC1=C(C#N)C#N	13208319	LTWGCQMZECZDKZ-UHFFFAOYSA-N	201.185	0.852	50	30	BCGC	
N=C(NNC(=O)c1cccnc1)c1ccncc1	66914	QERCHGLKITUABO-UHFFFAOYSA-N	241.254	0.737	50	30	BCGC	
CCOC(=O)/C(C#N)=C/Nc1ccn(C)n1	80479	JJMMFOHXMUZVLG-BQYQJAHWSA-N	220.232	0.803	50	30	BCGC	
O=C(Cl)CCS(=O)(=O)CCC(=O)Cl	111903327	IGGIVQUWQUIPLQ-UHFFFAOYSA-N	247.099	0.712	50	30	BCGC	
Cc1cnc(C(F)(F)F)c(B(O)O)c1	238498533	KVPRDXIZEDZBRL-UHFFFAOYSA-N	204.944	0.089	50	30	BCGC	
N=C(NNC(=O)c1ccncc1)c1ccccn1	137093	XOVVMVNGALTNLA-UHFFFAOYSA-N	241.254	0.737	50	30	BCGC	
OB(O)c1cccc(SCCCF)c1	198065408	MSUMKBSOWPORFB-UHFFFAOYSA-N	214.070	0.818	50	30	BCGC	
NC(=O)NN=Cc1ccc(C(=O)O)cc1	308676427	FZDOIQHRPXVBAV-UHFFFAOYSA-N	207.189	0.387	50	30	BCGC	
CCOOC(=O)C1=NO[C@H](OCC)C=C1	100133179	HHBDVFCXSLZMCR-QMMMGPOBSA-N	215.205	0.786	50	30	BCGC	
NNC(=O)c1nc(-c2cccs2)no1	115440	RBXSRXRSYHDXLP-UHFFFAOYSA-N	210.218	0.402	50	30	BCGC	
CN(CCN(C)C(=O)CCl)C(=O)CCl	138172672	MQTABKLQUXUUQA-UHFFFAOYSA-N	241.118	0.381	50	30	BCGC	
CCOC(=O)N/N=C(\C)C(=O)OCC	4389456	TUPDPUKCZIJMKE-RMKNXTFCSA-N	202.210	0.672	50	30	BCGC	
C/C(=N\NC(N)=O)c1ccccc1[N+](=O)[O-]	13469162	WZOJEJQOMBOJRL-IZZDOVSWSA-N	222.204	0.987	50	30	BCGC	
Cc1nnsc1-c1[nH]nc(C)c1C(=O)NN	4693639	LUQPFUBGTXKHCH-UHFFFAOYSA-N	238.276	0.149	50	30	BCGC	
O=C(Cl)c1ccnc(-n2cnnn2)c1	39057382	PLHFXPAJNFZHJK-UHFFFAOYSA-N	209.596	0.436	50	30	BCGC	
CS(=O)(=O)N1CC[C@H](CBr)C1	87754881	UVAXGOTXAJOQSC-ZCFIWIBFSA-N	242.138	0.663	50	30	BCGC	
Cc1nn(CCBr)c(=O)o1	521399704	IBFXHRUCSYVTAU-UHFFFAOYSA-N	207.027	0.540	50	30	BCGC	in-vitro
CCCCn1nnn(C(=O)CCl)c1=O	39055815	KGKZKBVQWUZBCK-UHFFFAOYSA-N	218.644	0.119	50	30	BCGC	
Cc1[nH]c(=O)[nH]c(=O)c1CBr	20416638	RKMUMUIZLOBUMA-UHFFFAOYSA-N	219.038	0.267	50	30	BCGC	
OB(O)c1cncc(Cc2ccccc2)c1	390089050	HTXVNTORKBGGEW-UHFFFAOYSA-N	213.045	0.352	50	30	BCGC	
ICCn1cncn1	204176867	FBBWYRITYNBJFB-UHFFFAOYSA-N	223.017	0.713	50	30	BCGC	
O=C(O)c1cc(B(O)O)ccc1C(F)(F)F	309149748	QOSYAACNUHELBO-UHFFFAOYSA-N	233.938	0.083	50	30	BCGC	
O=S1(=O)CC[C@H](CBr)C1	82999021	WIWBGPFHCBCIHT-RXMQYKEDSA-N	213.096	0.816	50	30	BCGC	in-vitro
CO[C@@H](COC[C@@H]1CO1)[Si](C)(OC)OC	223452271	VUKLJYHNLYQWBB-RKDXNWHRSA-N	236.340	0.321	50	30	BCGC	
Cc1cc(=O)n2nc(CBr)nc2[nH]1	100480578	XORDKVBKDNMUCU-UHFFFAOYSA-N	243.064	0.621	50	30	BCGC	in-vitro
N#CCC(=O)NNC(=S)NC1CCCCC1	3120564	MUPBSNIPOIWRTQ-UHFFFAOYSA-N	240.332	0.728	50	30	BCGC	
OB(O)c1ccccc1SCCCF	198065394	SBGSKNCJZBJDFK-UHFFFAOYSA-N	214.070	0.818	50	30	BCGC	
CN1C(=O)CCc2cc(NC(=O)NN)ccc21	258663867	BXXQINLOABHUTM-UHFFFAOYSA-N	234.259	0.591	50	30	BCGC	
Cc1nc(-n2cccc2)sc1C(=O)NN	121366	DBBXPUZTMSYLKO-UHFFFAOYSA-N	222.273	0.846	50	30	BCGC	
CS(=O)(=O)N1CC[C@@H](CBr)C1	87754883	UVAXGOTXAJOQSC-LURJTMIESA-N	242.138	0.663	50	30	BCGC	
COC(=O)NN=Cc1ccc(O)c(O)c1	394420585	GTQFYEFVABCTEV-UHFFFAOYSA-N	210.189	0.788	50	30	BCGC	
CC(=O)N1CCC[C@@H]1C(=O)CBr	128857855	UEJJPWPPZUAQJT-SSDOTTSWSA-N	234.093	0.961	50	30	BCGC	
Nc1nccnc1C(=O)N/N=C/c1ccco1	117462	WXWFKTCRHHDZGX-MKMNVTDBSA-N	231.215	0.416	50	30	BCGC	
O=Cc1cc(Cl)cc(B(O)O)c1Cl	196179802	ZMTZUARCIXQUEI-UHFFFAOYSA-N	218.832	0.486	50	30	BCGC	
CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	143448	DEFMPOREGXSNKA-UHFFFAOYSA-N	237.215	0.766	50	30	BCGC	
OB(O)c1ccc(SCCF)cc1	198065320	NGQNTMDWZJCFIU-UHFFFAOYSA-N	200.043	0.428	50	30	BCGC	
NNC(=O)c1ccc(Br)cn1	39119564	ILFSNCKFUDLHIO-UHFFFAOYSA-N	216.038	0.448	50	30	BCGC